A0A5K4F3U4_SCHMA Loading...

Heat shock protein 70

AlphaFold DB , UniProt , Accession A0A5K4F3U4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 627 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
1M47.9Very low87.1Confident169 Ų16930 Ų3083%0.83317%0.169SC*.  0143.50-60.7-172.4-156.200108.6N3 R135M1-N3 PolarHBondContact O-N 2.76Å; M1-N3 PolarHBondContact O-OD1 3.4Å; M1-N3 VanDerWaalsContact O-OD1 3.14Å; M1-R135 PolarHBondContact O-NH1 2.79Å; M1-R135 PolarHBondContact O-NH2 3.34Å
2P55.3Low87.9Confident85 Ų8529.6 Ų29.655%0.55217%0.168SC*.  trans-61.9118.7171.127.6-30.8000107.4
3N75.4Confident88.7Confident31 Ų3131.7 Ų31.717%0.16617%0.172CC..  trans-88114.7176.6-63.9-3.9000105.7M1 V18 Q20 R135M1-N3 PolarHBondContact O-N 2.76Å; M1-N3 PolarHBondContact O-OD1 3.4Å; M1-N3 VanDerWaalsContact O-OD1 3.14Å; N3-V18 HydrophobicContact CB-CG2 3.8Å; N3-Q20 VanDerWaalsContact ND2-CG 3.28Å; N3-Q20 WeakPolarHBondContact ND2-CG 3.21Å; N3-Q20 PolarHBondContact ND2-NE2 3.14Å; N3-R135 VanDerWaalsContact CB-NH2 3.29Å; N3-R135 PolarHBondContact ND2-NH2 2.67Å; N3-R135 VanDerWaalsContact ND2-NH2 3.14Å; N3-R135 PolarHBondContact OD1-NH2 2.69Å
4A94.5Very high89.4Confident3 Ų329.4 Ų29.43%0.02516%0.16CC..PPolyproline II helixtrans-63.4145167.600000108.9D139 L168 A375A4-D139 VanDerWaalsContact CA-O 3.28Å; A4-D139 WeakPolarHBondContact CA-O 3.09Å; A4-D139 HydrophobicContact CB-CB 3.84Å; A4-L168 HydrophobicContact CB-CD1 3.69Å; A4-A375 HydrophobicContact CB-CB 3.8Å
5I97.9Very high90Very high0 Ų027.6 Ų27.60%015%0.15CC..EExtended strand (participates in β ladder)trans-103.3150.8179.259.2173.4000110.8I7 V16 V18 A129 L133 V137 D139 A140 V141I5-I7 HydrophobicContact CD1-CD1 3.75Å; I5-I7 HydrophobicContact CD1-CG1 3.9Å; I5-I7 HydrophobicContact CG1-CD1 4.25Å; I5-I7 HydrophobicContact CG1-CG1 4.11Å; I5-V16 HydrophobicContact CB-CG2 4.18Å; I5-V16 HydrophobicContact CD1-CG2 3.96Å; I5-V18 HydrophobicContact CG2-CB 4.43Å; I5-V18 HydrophobicContact CG2-CG2 4.35Å; I5-A129 HydrophobicContact CD1-CB 3.98Å; I5-A129 HydrophobicContact CG2-CB 3.94Å; I5-L133 HydrophobicContact CG2-CD1 4.43Å; I5-V137 HydrophobicContact CB-CG1 4.44Å; I5-V137 HydrophobicContact CD1-CG1 3.78Å; I5-V137 HydrophobicContact CG1-CG1 3.78Å; I5-V137 HydrophobicContact CG2-CG1 3.92Å; I5-V137 HydrophobicContact CG2-CG2 4.36Å; I5-D139 PolarHBondContact N-O 2.97Å; I5-D139 VanDerWaalsContact N-O 3.08Å; I5-A140 HydrophobicContact CG1-CB 3.95Å; I5-A140 CarbonylContact O-C 3.58Å; I5-A140 VanDerWaalsContact O-CA 3.25Å; I5-A140 WeakPolarHBondContact O-CA 3.29Å; I5-V141 PolarHBondContact O-N 3.16Å
6G98.4Very high90.6Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-97.7124.6168.200000109.9V16 G17G6-V16 WeakPolarHBondContact O-CA 3.42Å; G6-G17 PolarHBondContact N-O 3.41Å; G6-G17 PolarHBondContact O-N 3.09Å
7I98.8Very high91Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-117.6119.6178.1-53.8172.9000109.1I5 L9 C15 V16 L122 M125 A140 V141 I142 T143 L165I5-I7 HydrophobicContact CD1-CD1 3.75Å; I5-I7 HydrophobicContact CD1-CG1 3.9Å; I5-I7 HydrophobicContact CG1-CD1 4.25Å; I5-I7 HydrophobicContact CG1-CG1 4.11Å; I7-L9 PolarHBondContact O-N 2.85Å; I7-C15 WeakPolarHBondContact CA-O 3.32Å; I7-V16 HydrophobicContact CG1-CG2 4.05Å; I7-L122 HydrophobicContact CB-CD2 4.46Å; I7-L122 HydrophobicContact CD1-CD2 4.07Å; I7-L122 HydrophobicContact CG2-CD2 3.85Å; I7-M125 HydrophobicContact CD1-CB 4.17Å; I7-M125 HydrophobicContact CG1-CB 4.43Å; I7-M125 HydrophobicContact CG2-CB 4.04Å; I7-M125 HydrophobicContact CG2-CG 3.94Å; I7-A140 HydrophobicContact CD1-CB 4.19Å; I7-V141 PolarHBondContact N-O 2.97Å; I7-I142 WeakPolarHBondContact O-CA 3.19Å; I7-T143 WeakPolarHBondContact O-CG2 3.32Å; I7-T143 PolarHBondContact O-N 2.66Å; I7-L165 HydrophobicContact CD1-CD1 3.78Å
8D98.7Very high91.3Very high21 Ų2123.1 Ų23.111%0.11213%0.126CC..EExtended strand (participates in β ladder)trans-81.8104.5159.7179.719.7000109.9G10 S14 C15 T143 V367 A368D8-G10 PolarHBondContact O-N 3.5Å; D8-S14 CarbonylContact O-C 3.55Å; D8-S14 WeakPolarHBondContact O-CA 3.48Å; D8-S14 WeakPolarHBondContact O-CB 3.49Å; D8-C15 HydrophobicContact CB-CB 4.16Å; D8-C15 PolarHBondContact N-O 3.46Å; D8-C15 PolarHBondContact O-N 2.65Å; D8-T143 VanDerWaalsContact CA-OG1 3.28Å; D8-T143 WeakPolarHBondContact CA-OG1 3.48Å; D8-T143 PolarHBondContact OD1-OG1 3.13Å; D8-V367 HydrophobicContact CB-CB 4.23Å; D8-V367 HydrophobicContact CB-CG1 3.83Å; D8-A368 HydrophobicContact CB-CB 3.84Å
9L98.3Very high91.4Very high5 Ų522.2 Ų22.23%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-89.573.5174.9-178.764.4000109.1I7 K69 V121 L122 I142 T143 T156I7-L9 PolarHBondContact O-N 2.85Å; L9-K69 WeakPolarHBondContact O-CD 3.48Å; L9-K69 WeakPolarHBondContact O-CE 3.36Å; L9-K69 PolarHBondContact O-NZ 3.11Å; L9-V121 HydrophobicContact CD1-CB 4.09Å; L9-V121 HydrophobicContact CD1-CG1 3.78Å; L9-L122 HydrophobicContact CB-CD2 4.24Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.2Å; L9-L122 HydrophobicContact CD2-CD1 4.25Å; L9-L122 HydrophobicContact CD2-CD2 4.14Å; L9-L122 HydrophobicContact CD2-CG 4.18Å; L9-L122 HydrophobicContact CG-CD2 4.37Å; L9-I142 HydrophobicContact CB-CG2 4.15Å; L9-T143 PolarHBondContact N-OG1 2.78Å; L9-T156 HydrophobicContact CD2-CG2 4.08Å
10G97Very high91.3Very high11 Ų1122.8 Ų22.811%0.11312%0.122CC..  trans-72.1170.4-179.300000114.8D8 Y13 S38D8-G10 PolarHBondContact O-N 3.5Å; G10-Y13 CarbonylContact C-O 3.55Å; G10-Y13 WeakPolarHBondContact CA-O 3.35Å; G10-Y13 PolarHBondContact N-O 3.17Å; G10-S38 PolarHBondContact O-OG 2.82Å; G10-S38 VanDerWaalsContact O-OG 3.08Å
11T96.3Very high91.1Very high5 Ų529.4 Ų29.43%0.03115%0.152CC..SBendtrans-69.1-44.6178.8-58.70000111.8D67 R70T11-D67 HydrophobicContact CG2-CB 4.27Å; T11-R70 HydrophobicContact CG2-CG 4.19Å
12T96.8Very high92.9Very high25 Ų2523.1 Ų23.115%0.15313%0.131CC..SBendtrans-105.8-33.6-174.248.10000113P37 S38 E229T12-P37 WeakPolarHBondContact O-CA 3.32Å; T12-S38 PolarHBondContact O-N 3.06Å; T12-E229 HydrophobicContact CG2-CG 3.98Å
13Y98Very high94.6Very high57 Ų5724.2 Ų24.222%0.22413%0.127CC..EExtended strand (participates in β ladder)trans-139.7143.2-178-73.7-88.7000108.7G10 T36 P37 S38 K54 R270G10-Y13 CarbonylContact C-O 3.55Å; G10-Y13 WeakPolarHBondContact CA-O 3.35Å; G10-Y13 PolarHBondContact N-O 3.17Å; Y13-T36 CarbonylContact C-O 3.59Å; Y13-T36 WeakPolarHBondContact CA-O 3.43Å; Y13-P37 HydrophobicContact CD1-CG 4.25Å; Y13-P37 HydrophobicContact CE1-CB 4.35Å; Y13-P37 HydrophobicContact CE1-CG 3.79Å; Y13-S38 WeakPolarHBondContact CA-OG 3.3Å; Y13-S38 PolarHBondContact N-OG 2.79Å; Y13-K54 PolarHBondContact OH-NZ 2.79Å; Y13-R270 VanDerWaalsContact CE2-NH2 3.3Å; Y13-R270 PolarHBondContact OH-NH2 2.8Å
14S98.7Very high95.5Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-115.2150.9171.8-56.70000110D8 T35 T36 S38 V121D8-S14 CarbonylContact O-C 3.55Å; D8-S14 WeakPolarHBondContact O-CA 3.48Å; D8-S14 WeakPolarHBondContact O-CB 3.49Å; S14-T35 WeakPolarHBondContact O-CA 3.35Å; S14-T36 PolarHBondContact N-O 2.91Å; S14-T36 PolarHBondContact O-N 3.2Å; S14-S38 PolarHBondContact N-OG 3.41Å; S14-S38 PolarHBondContact OG-OG 2.82Å; S14-V121 WeakPolarHBondContact OG-CG1 3.48Å
15C98.6Very high95.5Very high2 Ų225 Ų251%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-138.2143.4-175.7-175.10000109.1I7 D8 R34 T35 A368I7-C15 WeakPolarHBondContact CA-O 3.32Å; D8-C15 HydrophobicContact CB-CB 4.16Å; D8-C15 PolarHBondContact N-O 3.46Å; D8-C15 PolarHBondContact O-N 2.65Å; C15-R34 PolarHBondContact SG-O 3.33Å; C15-R34 VanDerWaalsContact SG-O 3.35Å; C15-T35 HydrophobicContact CB-CG2 4.21Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.53Å
16V98.5Very high95.5Very high2 Ų226.3 Ų26.31%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-129.2134.6-179.460.90000110.4I5 G6 I7 I27 M125 V128 A129I5-V16 HydrophobicContact CB-CG2 4.18Å; I5-V16 HydrophobicContact CD1-CG2 3.96Å; G6-V16 WeakPolarHBondContact O-CA 3.42Å; I7-V16 HydrophobicContact CG1-CG2 4.05Å; V16-I27 HydrophobicContact CG1-CB 4.19Å; V16-I27 PolarHBondContact O-N 2.91Å; V16-M125 HydrophobicContact CB-CB 4.27Å; V16-M125 HydrophobicContact CB-SD 4.42Å; V16-M125 HydrophobicContact CG1-SD 4.29Å; V16-V128 HydrophobicContact CG1-CB 4.35Å; V16-V128 HydrophobicContact CG1-CG1 3.91Å; V16-A129 HydrophobicContact CG2-CB 4.15Å
17G97.7Very high95.5Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-130.6158178.300000112.2G6 E25G6-G17 PolarHBondContact N-O 3.41Å; G6-G17 PolarHBondContact O-N 3.09Å; G17-E25 VanDerWaalsContact CA-O 3.28Å; G17-E25 WeakPolarHBondContact CA-O 3.23Å
18V96.6Very high95.4Very high0 Ų028.7 Ų28.70%016%0.156CC..EExtended strand (participates in β ladder)trans-135.6143.7173.668.80000109.6N3 I5 Q20 V24 E25 I27 Y132 L133N3-V18 HydrophobicContact CB-CG2 3.8Å; I5-V18 HydrophobicContact CG2-CB 4.43Å; I5-V18 HydrophobicContact CG2-CG2 4.35Å; V18-Q20 HydrophobicContact CG1-CG 4.29Å; V18-Q20 HydrophobicContact CG2-CG 4.1Å; V18-V24 WeakPolarHBondContact O-CA 3.36Å; V18-E25 HydrophobicContact CG1-CB 4.37Å; V18-E25 PolarHBondContact N-O 2.8Å; V18-E25 PolarHBondContact O-N 3.35Å; V18-I27 HydrophobicContact CB-CD1 4.26Å; V18-I27 HydrophobicContact CG1-CD1 3.98Å; V18-I27 HydrophobicContact CG1-CG1 4.33Å; V18-Y132 HydrophobicContact CG1-CE1 4.28Å; V18-L133 HydrophobicContact CG1-CD2 4.36Å; V18-L133 HydrophobicContact CG2-CD2 4.45Å
19F93.7Very high95.3Very high5 Ų528.2 Ų28.22%0.02215%0.153CC..EExtended strand (participates in β ladder)trans-92.1120.3171.2-169.5-90000109.7G22 K23 V24 A376 C383 V386F19-G22 VanDerWaalsContact CZ-C 3.44Å; F19-K23 WeakPolarHBondContact CA-O 3.09Å; F19-V24 HydrophobicContact CD2-CG2 3.77Å; F19-V24 HydrophobicContact CE2-CG2 4.48Å; F19-A376 HydrophobicContact CB-CB 3.48Å; F19-A376 VanDerWaalsContact CB-CB 3.48Å; F19-A376 HydrophobicContact CD1-CB 3.78Å; F19-A376 HydrophobicContact CD2-CB 4.39Å; F19-A376 HydrophobicContact CG-CB 3.64Å; F19-C383 HydrophobicContact CE1-CB 3.9Å; F19-C383 HydrophobicContact CZ-CB 4.13Å; F19-V386 HydrophobicContact CD2-CG1 4.47Å; F19-V386 HydrophobicContact CE2-CG1 3.76Å; F19-V386 HydrophobicContact CZ-CG1 3.8Å
20Q88.9Confident95Very high34 Ų3433.1 Ų33.116%0.15918%0.18CC..EExtended strand (participates in β ladder)trans-148.4148.5176-66.6-167.131.700111.6N3 V18 G22 K23N3-Q20 VanDerWaalsContact ND2-CG 3.28Å; N3-Q20 WeakPolarHBondContact ND2-CG 3.21Å; N3-Q20 PolarHBondContact ND2-NE2 3.14Å; V18-Q20 HydrophobicContact CG1-CG 4.29Å; V18-Q20 HydrophobicContact CG2-CG 4.1Å; Q20-G22 PolarHBondContact O-N 3.36Å; Q20-G22 VanDerWaalsContact O-N 3.16Å; Q20-K23 PolarHBondContact N-O 2.98Å; Q20-K23 WeakPolarHBondContact O-CG 3.27Å; Q20-K23 PolarHBondContact O-N 3.47Å; Q20-K23 VanDerWaalsContact O-N 3.11Å
21H86.8Confident94.8Very high162 Ų16238.6 Ų38.675%0.7520%0.202SC*.THydrogen-bonded Turntrans54.935.4176.6-46.2112.4000112.4K23H21-K23 VanDerWaalsContact C-N 3.32Å; H21-K23 PolarHBondContact O-N 3.49Å
22G86.2Confident94.8Very high38 Ų3841 Ų4139%0.39223%0.228SC..THydrogen-bonded Turntrans75.611.2178.200000115.6F19 Q20F19-G22 VanDerWaalsContact CZ-C 3.44Å; Q20-G22 PolarHBondContact O-N 3.36Å; Q20-G22 VanDerWaalsContact O-N 3.16Å
23K90.5Very high94.8Very high108 Ų10843.1 Ų43.147%0.4724%0.238SC..EExtended strand (participates in β ladder)trans-140.7161.1178.159.9173.1-178.8154.90111.1F19 Q20 H21 E25F19-K23 WeakPolarHBondContact CA-O 3.09Å; Q20-K23 PolarHBondContact N-O 2.98Å; Q20-K23 WeakPolarHBondContact O-CG 3.27Å; Q20-K23 PolarHBondContact O-N 3.47Å; Q20-K23 VanDerWaalsContact O-N 3.11Å; H21-K23 VanDerWaalsContact C-N 3.32Å; H21-K23 PolarHBondContact O-N 3.49Å; K23-E25 WeakPolarHBondContact CE-OE1 3.39Å; K23-E25 IonicContact NZ-OE1 2.73Å; K23-E25 PolarHBondContact NZ-OE1 3.21Å
24V93.7Very high94.8Very high16 Ų1646.9 Ų46.910%0.09725%0.252CS..EExtended strand (participates in β ladder)trans-84.6137.9168.7177.80000110.3V18 F19 I26 Y369 A372 V373V18-V24 WeakPolarHBondContact O-CA 3.36Å; F19-V24 HydrophobicContact CD2-CG2 3.77Å; F19-V24 HydrophobicContact CE2-CG2 4.48Å; V24-I26 HydrophobicContact CG1-CD1 4.18Å; V24-Y369 HydrophobicContact CB-CD1 4.25Å; V24-Y369 HydrophobicContact CB-CD2 3.66Å; V24-Y369 HydrophobicContact CB-CE1 4.03Å; V24-Y369 HydrophobicContact CB-CE2 3.46Å; V24-Y369 VanDerWaalsContact CB-CE2 3.46Å; V24-Y369 HydrophobicContact CB-CG 4.05Å; V24-Y369 HydrophobicContact CG1-CD1 4.41Å; V24-Y369 HydrophobicContact CG1-CD2 3.63Å; V24-Y369 HydrophobicContact CG1-CE2 3.99Å; V24-Y369 HydrophobicContact CG1-CG 3.86Å; V24-Y369 HydrophobicContact CG2-CD1 3.83Å; V24-Y369 HydrophobicContact CG2-CD2 4.18Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 3.96Å; V24-Y369 HydrophobicContact CG2-CG 4.11Å; V24-A372 HydrophobicContact CG1-CB 3.92Å; V24-A372 HydrophobicContact CG2-CB 4.43Å; V24-V373 HydrophobicContact CG2-CG2 3.52Å
25E95.3Very high94.7Very high33 Ų3348.7 Ų48.715%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-118.3121.3170.4-63.4-174.9157.500109.3G17 V18 K23 Y132G17-E25 VanDerWaalsContact CA-O 3.28Å; G17-E25 WeakPolarHBondContact CA-O 3.23Å; V18-E25 HydrophobicContact CG1-CB 4.37Å; V18-E25 PolarHBondContact N-O 2.8Å; V18-E25 PolarHBondContact O-N 3.35Å; K23-E25 WeakPolarHBondContact CE-OE1 3.39Å; K23-E25 IonicContact NZ-OE1 2.73Å; K23-E25 PolarHBondContact NZ-OE1 3.21Å; E25-Y132 PolarHBondContact OE2-OH 2.92Å
26I97.7Very high94.7Very high28 Ų2848.9 Ų48.914%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-84.9124.4171.6-57.8-60.3000108.2V24 R34 E365 A368V24-I26 HydrophobicContact CG1-CD1 4.18Å; I26-R34 HydrophobicContact CG2-CB 3.96Å; I26-R34 HydrophobicContact CG2-CG 4.25Å; I26-E365 HydrophobicContact CD1-CB 4.47Å; I26-E365 HydrophobicContact CG1-CB 4.18Å; I26-E365 HydrophobicContact CG1-CG 4.42Å; I26-E365 HydrophobicContact CG2-CG 4.23Å; I26-A368 HydrophobicContact CD1-CB 4.22Å
27I97.9Very high94.7Very high5 Ų548.8 Ų48.83%0.02626%0.264CS..PPolyproline II helixtrans-92129-167.7-50.5176000109.4V16 V18 V128 A129 Y132V16-I27 HydrophobicContact CG1-CB 4.19Å; V16-I27 PolarHBondContact O-N 2.91Å; V18-I27 HydrophobicContact CB-CD1 4.26Å; V18-I27 HydrophobicContact CG1-CD1 3.98Å; V18-I27 HydrophobicContact CG1-CG1 4.33Å; I27-V128 HydrophobicContact CB-CG1 4.27Å; I27-V128 HydrophobicContact CG2-CG1 3.68Å; I27-A129 HydrophobicContact CD1-CB 3.89Å; I27-Y132 HydrophobicContact CD1-CD1 3.87Å; I27-Y132 HydrophobicContact CD1-CG 4.3Å; I27-Y132 HydrophobicContact CG1-CD1 4.01Å; I27-Y132 HydrophobicContact CG1-CE1 4.46Å; I27-Y132 HydrophobicContact CG1-CG 4.3Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.26Å; I27-Y132 HydrophobicContact CG2-CD2 4.08Å; I27-Y132 HydrophobicContact CG2-CG 3.69Å
28A97.9Very high94.8Very high45 Ų4549.3 Ų49.337%0.37227%0.267SS..PPolyproline II helixtrans-78.7142.3172.400000110.8N33 R34A28-N33 CarbonylContact C-O 3.36Å; A28-N33 WeakPolarHBondContact CA-O 3.47Å; A28-R34 HydrophobicContact CB-CG 4.42Å
29N96.9Very high94.8Very high11 Ų1149.4 Ų49.46%0.05927%0.268CS..  trans-73.7-178.4173.573.88.7000112Q31 G32 N33 T36 D51 V128N29-Q31 PolarHBondContact O-N 3Å; N29-Q31 VanDerWaalsContact O-N 3.15Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.14Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.27Å; N29-Q31 PolarHBondContact OD1-N 3.12Å; N29-G32 PolarHBondContact O-N 2.89Å; N29-G32 PolarHBondContact OD1-N 2.69Å; N29-N33 PolarHBondContact N-O 2.81Å; N29-N33 PolarHBondContact OD1-N 2.9Å; N29-N33 PolarHBondContact OD1-O 3.28Å; N29-T36 PolarHBondContact ND2-OG1 3.27Å; N29-D51 PolarHBondContact ND2-OD2 2.91Å; N29-V128 HydrophobicContact CB-CG1 4.39Å; N29-V128 HydrophobicContact CB-CG2 3.77Å
30D91.9Very high95.1Very high109 Ų10949.2 Ų49.258%0.58327%0.267SS*.THydrogen-bonded Turntrans-61.9-15.9178.751.55.4000114.7K124D30-K124 IonicContact OD1-NZ 3.31Å; D30-K124 IonicContact OD2-NZ 3.36Å; D30-K124 PolarHBondContact OD2-NZ 2.77Å
31Q92.8Very high95.5Very high126 Ų12647.6 Ų47.659%0.58926%0.259SS*.THydrogen-bonded Turntrans-96.13.9172.6-58.5-61.3-57.700112.9N29 N33 D51N29-Q31 PolarHBondContact O-N 3Å; N29-Q31 VanDerWaalsContact O-N 3.15Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.14Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.27Å; N29-Q31 PolarHBondContact OD1-N 3.12Å; Q31-N33 VanDerWaalsContact C-N 3.3Å; Q31-N33 PolarHBondContact O-N 2.88Å; Q31-D51 HydrophobicContact CG-CB 4.18Å
32G95.4Very high96Very high55 Ų5539.9 Ų39.957%0.56722%0.223SC*.SBendtrans78.88.4-177.200000114.4N29N29-G32 PolarHBondContact O-N 2.89Å; N29-G32 PolarHBondContact OD1-N 2.69Å
33N97.4Very high96.3Very high69 Ų6939.3 Ų39.337%0.36921%0.212SC..  trans-89.8133.1179.4-61.1-45000110.9A28 N29 Q31 T35 D51A28-N33 CarbonylContact C-O 3.36Å; A28-N33 WeakPolarHBondContact CA-O 3.47Å; N29-N33 PolarHBondContact N-O 2.81Å; N29-N33 PolarHBondContact OD1-N 2.9Å; N29-N33 PolarHBondContact OD1-O 3.28Å; Q31-N33 VanDerWaalsContact C-N 3.3Å; Q31-N33 PolarHBondContact O-N 2.88Å; N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 WeakPolarHBondContact CB-O 3.04Å; N33-T35 PolarHBondContact O-N 3.4Å; N33-D51 PolarHBondContact ND2-OD2 3.01Å; N33-D51 VanDerWaalsContact ND2-OD2 3.12Å
34R97.5Very high96.3Very high137 Ų13740.1 Ų40.152%0.51722%0.222SC..SBendtrans-76.3-12.4175.7-70.9-177.7-178.8176.5-1.2114.7C15 I26 A28 E365C15-R34 PolarHBondContact SG-O 3.33Å; C15-R34 VanDerWaalsContact SG-O 3.35Å; I26-R34 HydrophobicContact CG2-CB 3.96Å; I26-R34 HydrophobicContact CG2-CG 4.25Å; A28-R34 HydrophobicContact CB-CG 4.42Å; R34-E365 WeakPolarHBondContact CD-OE1 3.42Å; R34-E365 IonicContact CZ-OE1 2.83Å; R34-E365 IonicContact NE-OE1 3.43Å; R34-E365 IonicContact NH1-OE1 3.73Å; R34-E365 PolarHBondContact NH1-OE1 2.77Å; R34-E365 VanDerWaalsContact NH1-OE1 3.12Å; R34-E365 IonicContact NH1-OE2 2.88Å
35T97.8Very high95.9Very high38 Ų3842.3 Ų42.323%0.23324%0.238CC..SBendtrans-125.6143.7171.860.10000108.1S14 C15 N33 D364S14-T35 WeakPolarHBondContact O-CA 3.35Å; C15-T35 HydrophobicContact CB-CG2 4.21Å; N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 WeakPolarHBondContact CB-O 3.04Å; N33-T35 PolarHBondContact O-N 3.4Å; T35-D364 HydrophobicContact CG2-CB 4.45Å
36T98.5Very high95.7Very high5 Ų543.3 Ų43.33%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-117.7131.6-179.3-63.20000108.9Y13 S14 N29 S38 G50 K124 M125Y13-T36 CarbonylContact C-O 3.59Å; Y13-T36 WeakPolarHBondContact CA-O 3.43Å; S14-T36 PolarHBondContact N-O 2.91Å; S14-T36 PolarHBondContact O-N 3.2Å; N29-T36 PolarHBondContact ND2-OG1 3.27Å; T36-S38 PolarHBondContact O-N 3.48Å; T36-G50 VanDerWaalsContact CG2-CA 3.47Å; T36-K124 HydrophobicContact CG2-CG 4.46Å; T36-M125 HydrophobicContact CG2-CE 3.57Å; T36-M125 WeakPolarHBondContact OG1-CE 3.44Å
37P98.3Very high95.5Very high1 Ų143 Ų431%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-54.7137.4176.1-25.933.6000112.6T12 Y13 Y39 G50 D51 K54T12-P37 WeakPolarHBondContact O-CA 3.32Å; Y13-P37 HydrophobicContact CD1-CG 4.25Å; Y13-P37 HydrophobicContact CE1-CB 4.35Å; Y13-P37 HydrophobicContact CE1-CG 3.79Å; P37-Y39 HydrophobicContact CB-CD2 3.81Å; P37-Y39 HydrophobicContact CB-CG 4.31Å; P37-Y39 PolarHBondContact O-N 2.92Å; P37-G50 VanDerWaalsContact O-CA 3.3Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; P37-D51 WeakPolarHBondContact CD-OD1 3.39Å; P37-D51 VanDerWaalsContact CG-OD1 3.29Å; P37-D51 WeakPolarHBondContact CG-OD1 3.47Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.83Å; P37-K54 HydrophobicContact CB-CG 4.48Å; P37-K54 HydrophobicContact CG-CB 4.05Å; P37-K54 HydrophobicContact CG-CD 3.68Å; P37-K54 HydrophobicContact CG-CG 4.46Å
38S98.5Very high95.3Very high10 Ų1044.6 Ų44.67%0.0725%0.248CC..  trans-81.656.3176.7-48.60000110.9G10 T12 Y13 S14 T36G10-S38 PolarHBondContact O-OG 2.82Å; G10-S38 VanDerWaalsContact O-OG 3.08Å; T12-S38 PolarHBondContact O-N 3.06Å; Y13-S38 WeakPolarHBondContact CA-OG 3.3Å; Y13-S38 PolarHBondContact N-OG 2.79Å; S14-S38 PolarHBondContact N-OG 3.41Å; S14-S38 PolarHBondContact OG-OG 2.82Å; T36-S38 PolarHBondContact O-N 3.48Å
39Y98.4Very high95.3Very high3 Ų343.6 Ų43.61%0.01224%0.236CC..  trans-118.3138.6-173.9-81-122.2000109.9P37 I49 G50 K54 V57 T64 V65 F66 R259P37-Y39 HydrophobicContact CB-CD2 3.81Å; P37-Y39 HydrophobicContact CB-CG 4.31Å; P37-Y39 PolarHBondContact O-N 2.92Å; Y39-I49 WeakPolarHBondContact O-CA 3.49Å; Y39-G50 PolarHBondContact O-N 2.68Å; Y39-K54 HydrophobicContact CD1-CB 4.05Å; Y39-K54 HydrophobicContact CD1-CG 4.4Å; Y39-K54 HydrophobicContact CE1-CG 4.35Å; Y39-K54 HydrophobicContact CG-CB 4.11Å; Y39-V57 HydrophobicContact CE1-CG2 4.29Å; Y39-T64 HydrophobicContact CD1-CG2 3.94Å; Y39-V65 WeakPolarHBondContact CA-O 3.31Å; Y39-F66 HydrophobicContact CD1-CB 3.84Å; Y39-F66 HydrophobicContact CD1-CD1 4.29Å; Y39-F66 HydrophobicContact CD1-CG 4.36Å; Y39-F66 HydrophobicContact CD2-CB 3.83Å; Y39-F66 HydrophobicContact CE1-CB 3.64Å; Y39-F66 AromaticContact CE1-CD1 3.78Å; Y39-F66 HydrophobicContact CE1-CD1 3.78Å; Y39-F66 AromaticContact CE1-CG 3.78Å; Y39-F66 HydrophobicContact CE1-CG 3.78Å; Y39-F66 HydrophobicContact CE2-CB 3.61Å; Y39-F66 HydrophobicContact CE2-CG 4.34Å; Y39-F66 HydrophobicContact CG-CB 3.93Å; Y39-F66 VanDerWaalsContact CZ-CB 3.5Å; Y39-F66 AromaticContact CZ-CG 3.74Å; Y39-R259 PolarHBondContact OH-NH1 2.99Å; Y39-R259 PolarHBondContact OH-NH2 3.33Å
40V98.4Very high95.3Very high0 Ų043.1 Ų43.10%023%0.233CC..EExtended strand (participates in β ladder)trans-130.5122.7174.3-178.60000108.2F42 L48 I49 T64 V65 I117 M120 V121V40-F42 HydrophobicContact CG1-CD2 4.46Å; V40-F42 HydrophobicContact CG1-CE1 4.4Å; V40-F42 HydrophobicContact CG1-CE2 3.71Å; V40-F42 HydrophobicContact CG1-CZ 3.67Å; V40-L48 CarbonylContact C-O 3.52Å; V40-L48 WeakPolarHBondContact CA-O 3.43Å; V40-I49 HydrophobicContact CG2-CG2 4.39Å; V40-T64 CarbonylContact O-C 3.57Å; V40-T64 WeakPolarHBondContact O-CA 3.16Å; V40-V65 PolarHBondContact N-O 2.94Å; V40-V65 PolarHBondContact O-N 3.26Å; V40-I117 HydrophobicContact CB-CG2 4.25Å; V40-I117 HydrophobicContact CG2-CG2 3.92Å; V40-M120 HydrophobicContact CG1-CB 4.46Å; V40-M120 HydrophobicContact CG1-SD 3.59Å; V40-M120 VanDerWaalsContact CG1-SD 3.59Å; V40-M120 HydrophobicContact CG2-CB 4Å; V40-V121 HydrophobicContact CG2-CG2 3.88Å
41A98.1Very high95.5Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-117.9142.8175.600000111.4R47 L48 A53 N63 T64A41-R47 CarbonylContact O-C 3.56Å; A41-R47 WeakPolarHBondContact O-CA 2.9Å; A41-L48 HydrophobicContact CB-CB 4.27Å; A41-L48 PolarHBondContact N-O 3.11Å; A41-L48 PolarHBondContact O-N 2.76Å; A41-A53 HydrophobicContact CB-CB 3.8Å; A41-N63 CarbonylContact C-O 3.43Å; A41-N63 WeakPolarHBondContact CA-O 3.4Å; A41-T64 HydrophobicContact CB-CG2 4.03Å
42F97.2Very high95.6Very high0 Ų034.7 Ų34.70%020%0.201CC..EExtended strand (participates in β ladder)trans-111.8126.5177.6-57.8-92.6000108.4V40 R47 N60 N63 V65 V103 E104 Y105 F112 I117 M120V40-F42 HydrophobicContact CG1-CD2 4.46Å; V40-F42 HydrophobicContact CG1-CE1 4.4Å; V40-F42 HydrophobicContact CG1-CE2 3.71Å; V40-F42 HydrophobicContact CG1-CZ 3.67Å; F42-R47 HydrophobicContact CD1-CG 3.91Å; F42-R47 HydrophobicContact CE1-CG 4.12Å; F42-N60 PolarHBondContact O-ND2 2.88Å; F42-N63 HydrophobicContact CB-CB 4.4Å; F42-N63 PolarHBondContact N-O 3.05Å; F42-N63 WeakPolarHBondContact O-CB 3.45Å; F42-V65 HydrophobicContact CE2-CG2 4.12Å; F42-V103 HydrophobicContact CB-CB 4.49Å; F42-V103 HydrophobicContact CB-CG2 4.31Å; F42-V103 HydrophobicContact CD1-CG2 4.23Å; F42-V103 HydrophobicContact CD2-CB 3.88Å; F42-V103 HydrophobicContact CD2-CG1 3.82Å; F42-V103 HydrophobicContact CD2-CG2 3.59Å; F42-V103 HydrophobicContact CE1-CG2 4.48Å; F42-V103 HydrophobicContact CE2-CB 4.42Å; F42-V103 HydrophobicContact CE2-CG1 4.08Å; F42-V103 HydrophobicContact CE2-CG2 3.88Å; F42-V103 HydrophobicContact CG-CB 4.29Å; F42-V103 HydrophobicContact CG-CG2 3.78Å; F42-V103 HydrophobicContact CZ-CG2 4.32Å; F42-E104 WeakPolarHBondContact CB-O 3.43Å; F42-Y105 HydrophobicContact CB-CD2 3.87Å; F42-Y105 HydrophobicContact CB-CG 4.23Å; F42-Y105 HydrophobicContact CD1-CD1 4.44Å; F42-Y105 AromaticContact CD1-CD2 3.96Å; F42-Y105 HydrophobicContact CD1-CD2 3.96Å; F42-Y105 AromaticContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CG-CD2 4.43Å; F42-F112 HydrophobicContact CD1-CE2 4.06Å; F42-F112 HydrophobicContact CD1-CZ 4.44Å; F42-F112 HydrophobicContact CE1-CD2 4.12Å; F42-F112 AromaticContact CE1-CE2 3.38Å; F42-F112 HydrophobicContact CE1-CE2 3.38Å; F42-F112 AromaticContact CE1-CZ 3.66Å; F42-F112 HydrophobicContact CE1-CZ 3.66Å; F42-F112 HydrophobicContact CE2-CD2 4.37Å; F42-F112 HydrophobicContact CE2-CE2 4.32Å; F42-F112 AromaticContact CZ-CD2 3.78Å; F42-F112 HydrophobicContact CZ-CD2 3.78Å; F42-F112 AromaticContact CZ-CE2 3.54Å; F42-F112 HydrophobicContact CZ-CE2 3.54Å; F42-F112 HydrophobicContact CZ-CZ 4.11Å; F42-I117 HydrophobicContact CE2-CD1 3.87Å; F42-I117 HydrophobicContact CZ-CD1 3.68Å; F42-M120 HydrophobicContact CE1-CE 4.16Å; F42-M120 HydrophobicContact CE1-SD 4.12Å; F42-M120 HydrophobicContact CZ-CE 3.98Å; F42-M120 HydrophobicContact CZ-SD 3.83Å
43T93.2Very high95.7Very high26 Ų2632.1 Ų32.116%0.1617%0.174CC..  trans-117.4179.2177.577.40000110.3S45 E46 L48 Y105 K106T43-S45 PolarHBondContact O-N 3.43Å; T43-S45 PolarHBondContact OG1-N 2.95Å; T43-S45 PolarHBondContact OG1-OG 2.85Å; T43-E46 PolarHBondContact N-O 3.32Å; T43-E46 PolarHBondContact OG1-N 2.65Å; T43-E46 PolarHBondContact OG1-O 3.49Å; T43-L48 HydrophobicContact CG2-CD1 4.12Å; T43-L48 HydrophobicContact CG2-CG 4.47Å; T43-Y105 WeakPolarHBondContact O-CD2 3.44Å; T43-K106 PolarHBondContact O-N 3.1Å
44D89.4Confident95.7Very high125 Ų12530.4 Ų30.467%0.66816%0.163SC*.SBendtrans-69.4-13.4175.5-62.2-35000113.2K106D44-K106 WeakPolarHBondContact O-CG 3.29Å
45S86.1Confident95.5Very high62 Ų6229.7 Ų29.743%0.43417%0.17SC..SBendtrans-118.9-38.4-175.556.10000113.5T43 K106T43-S45 PolarHBondContact O-N 3.43Å; T43-S45 PolarHBondContact OG1-N 2.95Å; T43-S45 PolarHBondContact OG1-OG 2.85Å; S45-K106 VanDerWaalsContact O-CE 3.25Å; S45-K106 WeakPolarHBondContact O-CE 3.44Å
46E89.9Confident95.4Very high54 Ų5429 Ų2925%0.25216%0.164SC..  trans-151.2168.2-165.972.4-165.8152.700113.3T43 L48 Y105 Q530T43-E46 PolarHBondContact N-O 3.32Å; T43-E46 PolarHBondContact OG1-N 2.65Å; T43-E46 PolarHBondContact OG1-O 3.49Å; E46-L48 HydrophobicContact CG-CD2 3.89Å; E46-L48 HydrophobicContact CG-CG 4.2Å; E46-Y105 WeakPolarHBondContact O-CE2 3.42Å; E46-Q530 HydrophobicContact CB-CG 4.07Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.49Å; E46-Q530 PolarHBondContact OE2-NE2 3Å
47R93.2Very high95.3Very high22 Ų2229 Ų298%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-101.4130.5166.9-59.5-177.2-54.2161.25.1108.4A41 F42 Y105 M120 D527A41-R47 CarbonylContact O-C 3.56Å; A41-R47 WeakPolarHBondContact O-CA 2.9Å; F42-R47 HydrophobicContact CD1-CG 3.91Å; F42-R47 HydrophobicContact CE1-CG 4.12Å; R47-Y105 HydrophobicContact CG-CD2 4.38Å; R47-Y105 HydrophobicContact CG-CE1 4.27Å; R47-Y105 HydrophobicContact CG-CE2 3.69Å; R47-M120 PolarHBondContact NH1-SD 3.25Å; R47-M120 VanDerWaalsContact NH1-SD 3.37Å; R47-D527 IonicContact CZ-OD2 3.54Å; R47-D527 IonicContact NE-OD1 3.91Å; R47-D527 IonicContact NE-OD2 3.5Å; R47-D527 IonicContact NH2-OD2 3.63Å; R47-D527 PolarHBondContact NH2-OD2 3.37Å
48L95.3Very high95Very high39 Ų3930.1 Ų30.120%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-104.2137.8173.2-57.8172.6000108.2V40 A41 T43 E46 A53 Q56V40-L48 CarbonylContact C-O 3.52Å; V40-L48 WeakPolarHBondContact CA-O 3.43Å; A41-L48 HydrophobicContact CB-CB 4.27Å; A41-L48 PolarHBondContact N-O 3.11Å; A41-L48 PolarHBondContact O-N 2.76Å; T43-L48 HydrophobicContact CG2-CD1 4.12Å; T43-L48 HydrophobicContact CG2-CG 4.47Å; E46-L48 HydrophobicContact CG-CD2 3.89Å; E46-L48 HydrophobicContact CG-CG 4.2Å; L48-A53 HydrophobicContact CB-CB 4.12Å; L48-A53 WeakPolarHBondContact O-CB 3.07Å; L48-Q56 HydrophobicContact CD1-CG 3.77Å
49I96.9Very high94.7Very high24 Ų2436.7 Ų36.712%0.12320%0.204CC..EExtended strand (participates in β ladder)trans-131.6138.2178.6-51.9165.6000108Y39 V40 M120 K124Y39-I49 WeakPolarHBondContact O-CA 3.49Å; V40-I49 HydrophobicContact CG2-CG2 4.39Å; I49-M120 HydrophobicContact CD1-CB 3.99Å; I49-K124 HydrophobicContact CB-CB 4.2Å; I49-K124 HydrophobicContact CB-CG 4.38Å; I49-K124 HydrophobicContact CG2-CB 3.59Å; I49-K124 HydrophobicContact CG2-CG 4.01Å
50G97.6Very high94.6Very high0 Ų037.8 Ų37.80%021%0.211CC..THydrogen-bonded Turntrans83.1-136.4178.400000114.1T36 P37 Y39 G52 A53 K54T36-G50 VanDerWaalsContact CG2-CA 3.47Å; P37-G50 VanDerWaalsContact O-CA 3.3Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; Y39-G50 PolarHBondContact O-N 2.68Å; G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 2.95Å; G50-A53 PolarHBondContact O-N 2.97Å; G50-A53 VanDerWaalsContact O-N 3.13Å; G50-K54 PolarHBondContact O-N 2.72Å
51D96.4Very high94.4Very high25 Ų2538.4 Ų38.413%0.13421%0.214CC..Hα-helixtrans-58.6-40.2-176.9-71.2-52.9000112N29 Q31 N33 P37 A53 K54 N55N29-D51 PolarHBondContact ND2-OD2 2.91Å; Q31-D51 HydrophobicContact CG-CB 4.18Å; N33-D51 PolarHBondContact ND2-OD2 3.01Å; N33-D51 VanDerWaalsContact ND2-OD2 3.12Å; P37-D51 WeakPolarHBondContact CD-OD1 3.39Å; P37-D51 VanDerWaalsContact CG-OD1 3.29Å; P37-D51 WeakPolarHBondContact CG-OD1 3.47Å; D51-A53 VanDerWaalsContact C-N 3.33Å; D51-A53 PolarHBondContact O-N 2.97Å; D51-K54 PolarHBondContact O-N 3.4Å; D51-N55 VanDerWaalsContact O-CB 3.31Å; D51-N55 WeakPolarHBondContact O-CB 3.32Å; D51-N55 PolarHBondContact O-N 3.2Å; D51-N55 PolarHBondContact O-ND2 3.17Å
52G94.3Very high94.3Very high34 Ų3440.8 Ų40.835%0.35123%0.229SC..Hα-helixtrans-57.2-44.2175.700000112.6G50 Q56G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 2.95Å; G52-Q56 WeakPolarHBondContact O-CG 3.37Å
53A97.4Very high94.3Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-68.5-44.9177.100000112.1A41 L48 G50 D51 N55 Q56 V57A41-A53 HydrophobicContact CB-CB 3.8Å; L48-A53 HydrophobicContact CB-CB 4.12Å; L48-A53 WeakPolarHBondContact O-CB 3.07Å; G50-A53 PolarHBondContact O-N 2.97Å; G50-A53 VanDerWaalsContact O-N 3.13Å; D51-A53 VanDerWaalsContact C-N 3.33Å; D51-A53 PolarHBondContact O-N 2.97Å; A53-N55 VanDerWaalsContact C-N 3.34Å; A53-N55 PolarHBondContact O-N 2.79Å; A53-Q56 PolarHBondContact O-N 2.88Å; A53-Q56 PolarHBondContact O-NE2 2.9Å; A53-V57 PolarHBondContact O-N 2.93Å
54K96.7Very high94.6Very high33 Ų3340.7 Ų40.714%0.14323%0.227CC..Hα-helixtrans-63-38.6179.3-176.8168.2177.9163.20111.8Y13 P37 Y39 G50 D51 Q56 V57 E266Y13-K54 PolarHBondContact OH-NZ 2.79Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.83Å; P37-K54 HydrophobicContact CB-CG 4.48Å; P37-K54 HydrophobicContact CG-CB 4.05Å; P37-K54 HydrophobicContact CG-CD 3.68Å; P37-K54 HydrophobicContact CG-CG 4.46Å; Y39-K54 HydrophobicContact CD1-CB 4.05Å; Y39-K54 HydrophobicContact CD1-CG 4.4Å; Y39-K54 HydrophobicContact CE1-CG 4.35Å; Y39-K54 HydrophobicContact CG-CB 4.11Å; G50-K54 PolarHBondContact O-N 2.72Å; D51-K54 PolarHBondContact O-N 3.4Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.25Å; K54-V57 WeakPolarHBondContact O-CG1 3.36Å; K54-V57 PolarHBondContact O-N 2.84Å; K54-E266 IonicContact NZ-OE1 2.76Å; K54-E266 IonicContact NZ-OE2 2.92Å; K54-E266 PolarHBondContact NZ-OE2 2.91Å; K54-E266 VanDerWaalsContact NZ-OE2 3.14Å
55N94.8Very high95Very high123 Ų12334.7 Ų34.766%0.65820%0.196SC*.Hα-helixtrans-66.1-34.9-177.3-72.3-18.3000113D51 A53D51-N55 VanDerWaalsContact O-CB 3.31Å; D51-N55 WeakPolarHBondContact O-CB 3.32Å; D51-N55 PolarHBondContact O-N 3.2Å; D51-N55 PolarHBondContact O-ND2 3.17Å; A53-N55 VanDerWaalsContact C-N 3.34Å; A53-N55 PolarHBondContact O-N 2.79Å
56Q94.6Very high95.5Very high23 Ų2331.9 Ų31.911%0.10718%0.175CC..Hα-helixtrans-93.8-1.4-1786479.469.900114.9L48 G52 A53 K54 A58 M59 N60 T64L48-Q56 HydrophobicContact CD1-CG 3.77Å; G52-Q56 WeakPolarHBondContact O-CG 3.37Å; A53-Q56 PolarHBondContact O-N 2.88Å; A53-Q56 PolarHBondContact O-NE2 2.9Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.25Å; Q56-A58 PolarHBondContact O-N 2.81Å; Q56-M59 HydrophobicContact CB-CE 4.08Å; Q56-M59 PolarHBondContact O-N 2.83Å; Q56-N60 PolarHBondContact O-N 3.4Å; Q56-N60 VanDerWaalsContact O-N 3.13Å; Q56-N60 PolarHBondContact OE1-ND2 2.89Å; Q56-T64 PolarHBondContact NE2-OG1 2.81Å
57V95.6Very high95.8Very high5 Ų529.6 Ų29.63%0.0317%0.165CC..THydrogen-bonded Turntrans-54.7-30.9-173.571.50000114.1Y39 A53 K54 M59 N60 P61 T64 R259Y39-V57 HydrophobicContact CE1-CG2 4.29Å; A53-V57 PolarHBondContact O-N 2.93Å; K54-V57 WeakPolarHBondContact O-CG1 3.36Å; K54-V57 PolarHBondContact O-N 2.84Å; V57-M59 VanDerWaalsContact C-N 3.33Å; V57-N60 CarbonylContact O-C 3.5Å; V57-P61 WeakPolarHBondContact O-CA 3.49Å; V57-P61 WeakPolarHBondContact O-CB 3.44Å; V57-P61 VanDerWaalsContact O-N 3.15Å; V57-T64 HydrophobicContact CB-CG2 4Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; V57-R259 HydrophobicContact CB-CG 4.46Å; V57-R259 HydrophobicContact CG1-CG 3.86Å; V57-R259 HydrophobicContact CG2-CG 3.97Å
58A92Very high95.9Very high25 Ų2528.9 Ų28.921%0.20716%0.164CC..THydrogen-bonded Turntrans-72.9-26.8178.600000112.9Q56 R256 R260Q56-A58 PolarHBondContact O-N 2.81Å; A58-R256 VanDerWaalsContact O-CG 3.31Å; A58-R256 WeakPolarHBondContact O-CG 3.33Å; A58-R260 HydrophobicContact CB-CG 4.02Å
59M93.6Very high95.9Very high147 Ų14727.6 Ų27.672%0.72416%0.157SC*.THydrogen-bonded Turntrans-88-32.1178.8-62.4-172.3-66.100111.8Q56 V57 P61Q56-M59 HydrophobicContact CB-CE 4.08Å; Q56-M59 PolarHBondContact O-N 2.83Å; V57-M59 VanDerWaalsContact C-N 3.33Å; M59-P61 VanDerWaalsContact C-CD 3.41Å
60N95.6Very high95.7Very high27 Ų2726.6 Ų26.614%0.14415%0.151CC..SBendtrans-128.357.2-177.9-172.317.2000112.2F42 Q56 V57 T62 N63 T64F42-N60 PolarHBondContact O-ND2 2.88Å; Q56-N60 PolarHBondContact O-N 3.4Å; Q56-N60 VanDerWaalsContact O-N 3.13Å; Q56-N60 PolarHBondContact OE1-ND2 2.89Å; V57-N60 CarbonylContact O-C 3.5Å; N60-T62 VanDerWaalsContact C-N 3.28Å; N60-T62 PolarHBondContact O-N 2.88Å; N60-N63 PolarHBondContact O-N 2.84Å; N60-N63 WeakPolarHBondContact OD1-CB 3.44Å; N60-N63 PolarHBondContact OD1-ND2 2.85Å; N60-T64 WeakPolarHBondContact O-CB 3.31Å; N60-T64 PolarHBondContact O-N 2.85Å; N60-T64 PolarHBondContact O-OG1 2.79Å
61P95.2Very high95.6Very high12 Ų1226.7 Ų26.78%0.07815%0.152CC..G310 helixtrans-65.8-30.7-171.326.7-35.5000112.7V57 M59 P89 K255V57-P61 WeakPolarHBondContact O-CA 3.49Å; V57-P61 WeakPolarHBondContact O-CB 3.44Å; V57-P61 VanDerWaalsContact O-N 3.15Å; M59-P61 VanDerWaalsContact C-CD 3.41Å; P61-P89 HydrophobicContact CB-CB 3.85Å; P61-P89 HydrophobicContact CB-CG 4.22Å; P61-P89 WeakPolarHBondContact O-CB 3.41Å; P61-P89 WeakPolarHBondContact O-CG 3.47Å; P61-K255 HydrophobicContact CB-CB 4.39Å; P61-K255 HydrophobicContact CG-CB 3.91Å
62T95.8Very high95.4Very high50 Ų5025.5 Ų25.531%0.30715%0.146SC..G310 helixtrans-75.3-27.3-175.746.80000114.1N60 F90 K255N60-T62 VanDerWaalsContact C-N 3.28Å; N60-T62 PolarHBondContact O-N 2.88Å; T62-F90 WeakPolarHBondContact O-CA 3.13Å; T62-F90 VanDerWaalsContact O-CB 3.32Å; T62-F90 WeakPolarHBondContact O-CB 3.29Å; T62-K255 HydrophobicContact CG2-CD 3.5Å; T62-K255 VanDerWaalsContact CG2-NZ 3.32Å
63N97.6Very high95.2Very high24 Ų2424.8 Ų24.813%0.12814%0.138CC..G310 helixtrans-109.817.4-179.8-50-55.3000111.9A41 F42 N60 V103 E104A41-N63 CarbonylContact C-O 3.43Å; A41-N63 WeakPolarHBondContact CA-O 3.4Å; F42-N63 HydrophobicContact CB-CB 4.4Å; F42-N63 PolarHBondContact N-O 3.05Å; F42-N63 WeakPolarHBondContact O-CB 3.45Å; N60-N63 PolarHBondContact O-N 2.84Å; N60-N63 WeakPolarHBondContact OD1-CB 3.44Å; N60-N63 PolarHBondContact OD1-ND2 2.85Å; N63-V103 HydrophobicContact CB-CB 4.45Å; N63-E104 PolarHBondContact OD1-N 2.79Å
64T98Very high94.8Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-112.6108.7173.1-53.50000109.5Y39 V40 A41 Q56 V57 N60 F90Y39-T64 HydrophobicContact CD1-CG2 3.94Å; V40-T64 CarbonylContact O-C 3.57Å; V40-T64 WeakPolarHBondContact O-CA 3.16Å; A41-T64 HydrophobicContact CB-CG2 4.03Å; Q56-T64 PolarHBondContact NE2-OG1 2.81Å; V57-T64 HydrophobicContact CB-CG2 4Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; N60-T64 WeakPolarHBondContact O-CB 3.31Å; N60-T64 PolarHBondContact O-N 2.85Å; N60-T64 PolarHBondContact O-OG1 2.79Å; T64-F90 VanDerWaalsContact O-CD1 3.28Å; T64-F90 WeakPolarHBondContact O-CD1 3.29Å
65V98.1Very high94.4Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-91.9134.7-179.9-170.60000109.6Y39 V40 F42 F90 I101 V103 I117Y39-V65 WeakPolarHBondContact CA-O 3.31Å; V40-V65 PolarHBondContact N-O 2.94Å; V40-V65 PolarHBondContact O-N 3.26Å; F42-V65 HydrophobicContact CE2-CG2 4.12Å; V65-F90 HydrophobicContact CG1-CE1 4.39Å; V65-F90 HydrophobicContact CG1-CE2 4.36Å; V65-F90 HydrophobicContact CG1-CZ 4.23Å; V65-I101 HydrophobicContact CG1-CD1 4.06Å; V65-I101 HydrophobicContact CG1-CG2 4Å; V65-I101 HydrophobicContact CG2-CG2 3.63Å; V65-V103 HydrophobicContact CG2-CG1 3.73Å; V65-I117 HydrophobicContact CB-CG2 4.28Å; V65-I117 HydrophobicContact CG1-CG1 4.27Å; V65-I117 HydrophobicContact CG1-CG2 3.86Å; V65-I117 HydrophobicContact CG2-CD1 4.38Å
66F96.8Very high94.2Very high2 Ų226.3 Ų26.31%0.00914%0.135CC..  trans-145.9172.1174.155-87.4000108.2Y39 A68 W88 P89 F90Y39-F66 HydrophobicContact CD1-CB 3.84Å; Y39-F66 HydrophobicContact CD1-CD1 4.29Å; Y39-F66 HydrophobicContact CD1-CG 4.36Å; Y39-F66 HydrophobicContact CD2-CB 3.83Å; Y39-F66 HydrophobicContact CE1-CB 3.64Å; Y39-F66 AromaticContact CE1-CD1 3.78Å; Y39-F66 HydrophobicContact CE1-CD1 3.78Å; Y39-F66 AromaticContact CE1-CG 3.78Å; Y39-F66 HydrophobicContact CE1-CG 3.78Å; Y39-F66 HydrophobicContact CE2-CB 3.61Å; Y39-F66 HydrophobicContact CE2-CG 4.34Å; Y39-F66 HydrophobicContact CG-CB 3.93Å; Y39-F66 VanDerWaalsContact CZ-CB 3.5Å; Y39-F66 AromaticContact CZ-CG 3.74Å; F66-A68 PolarHBondContact O-N 2.88Å; F66-A68 VanDerWaalsContact O-N 3.08Å; F66-W88 AromaticContact CE2-CD1 3.79Å; F66-P89 HydrophobicContact CE1-CG 3.83Å; F66-P89 HydrophobicContact CZ-CG 4.09Å; F66-F90 HydrophobicContact CD1-CD1 4.44Å; F66-F90 AromaticContact CD1-CE1 3.94Å; F66-F90 HydrophobicContact CD1-CE1 3.94Å; F66-F90 HydrophobicContact CE1-CD1 4.21Å; F66-F90 AromaticContact CE1-CE1 3.87Å; F66-F90 HydrophobicContact CE1-CE1 3.87Å; F66-F90 HydrophobicContact CG-CE1 4.29Å; F66-F90 HydrophobicContact CZ-CE1 4.17Å; F66-F90 WeakPolarHBondContact O-CZ 3.31Å
67D95.6Very high94Very high6 Ų630.1 Ų30.13%0.03216%0.156CC..  trans55.323.7-175.8-54.3-25.1000114.4T11 K69 R70 W88T11-D67 HydrophobicContact CG2-CB 4.27Å; D67-K69 PolarHBondContact O-N 2.78Å; D67-R70 WeakPolarHBondContact O-CB 3.35Å; D67-R70 PolarHBondContact O-N 3.07Å; D67-W88 HydrophobicContact CB-CZ2 4.09Å; D67-W88 PolarHBondContact OD2-NE1 3.09Å
68A95.8Very high93.7Very high8 Ų830.8 Ų30.87%0.06616%0.159CC..Hα-helixtrans-56.7-26.8179.800000112.4F66 R70 L71 I72 I117F66-A68 PolarHBondContact O-N 2.88Å; F66-A68 VanDerWaalsContact O-N 3.08Å; A68-R70 VanDerWaalsContact C-N 3.26Å; A68-R70 PolarHBondContact O-N 2.76Å; A68-L71 WeakPolarHBondContact O-CA 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.19Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-I72 PolarHBondContact O-N 2.92Å; A68-I117 HydrophobicContact CB-CB 4.07Å; A68-I117 HydrophobicContact CB-CG2 3.61Å
69K95.5Very high93.6Very high11 Ų1134.8 Ų34.85%0.04818%0.183CC..Hα-helixtrans-63-26.7173.1-164.4174.2-171.4179.20113.7L9 D67 L71 I72 F148 E173L9-K69 WeakPolarHBondContact O-CD 3.48Å; L9-K69 WeakPolarHBondContact O-CE 3.36Å; L9-K69 PolarHBondContact O-NZ 3.11Å; D67-K69 PolarHBondContact O-N 2.78Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-I72 WeakPolarHBondContact O-CG2 3.49Å; K69-F148 HydrophobicContact CG-CZ 3.96Å; K69-E173 IonicContact NZ-OE1 3.87Å; K69-E173 PolarHBondContact NZ-OE1 2.82Å
70R93.7Very high93.4Very high3 Ų328.9 Ų28.91%0.01116%0.156CC..Hα-helixtrans-73.8-20.4172-72.4-169.7158.4-165.2-1112.7T11 D67 A68 R74 D84 W88 G201 H225 D230T11-R70 HydrophobicContact CG2-CG 4.19Å; D67-R70 WeakPolarHBondContact O-CB 3.35Å; D67-R70 PolarHBondContact O-N 3.07Å; A68-R70 VanDerWaalsContact C-N 3.26Å; A68-R70 PolarHBondContact O-N 2.76Å; R70-R74 WeakPolarHBondContact O-CD 3.39Å; R70-R74 PolarHBondContact O-NE 3.17Å; R70-D84 IonicContact NH1-OD1 2.68Å; R70-D84 PolarHBondContact NH1-OD1 3.19Å; R70-W88 HydrophobicContact CB-CZ2 4.27Å; R70-G201 PolarHBondContact NE-O 3.44Å; R70-G201 VanDerWaalsContact NH2-CA 3.26Å; R70-G201 PolarHBondContact NH2-O 2.66Å; R70-H225 PolarHBondContact NH1-CE1 2.82Å; R70-H225 VanDerWaalsContact NH1-CE1 3.33Å; R70-D230 IonicContact CZ-OD1 3.96Å; R70-D230 IonicContact CZ-OD2 2.69Å; R70-D230 IonicContact NH1-OD1 3.7Å; R70-D230 PolarHBondContact NH1-OD1 2.85Å; R70-D230 IonicContact NH1-OD2 3.9Å; R70-D230 IonicContact NH2-OD1 3.94Å; R70-D230 PolarHBondContact NH2-OD1 3.42Å; R70-D230 IonicContact NH2-OD2 3.65Å; R70-D230 PolarHBondContact NH2-OD2 2.95Å
71L93.9Very high93.3Very high2 Ų227.6 Ų27.61%0.0115%0.15CC..Hα-helixtrans-95.4-26.7179-69.5175.8000113.9A68 K69 G73 R74 V81 W88 F90 V92 L99 I101 A114A68-L71 WeakPolarHBondContact O-CA 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.19Å; A68-L71 PolarHBondContact O-N 3.49Å; K69-L71 VanDerWaalsContact C-N 3.27Å; L71-G73 PolarHBondContact O-N 2.7Å; L71-R74 PolarHBondContact O-N 2.72Å; L71-V81 HydrophobicContact CD2-CG1 3.91Å; L71-V81 HydrophobicContact CD2-CG2 4.23Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.96Å; L71-W88 HydrophobicContact CD2-CH2 3.37Å; L71-W88 HydrophobicContact CD2-CZ3 3.44Å; L71-W88 VanDerWaalsContact CD2-CZ3 3.44Å; L71-W88 HydrophobicContact CG-CH2 3.5Å; L71-W88 VanDerWaalsContact CG-CH2 3.5Å; L71-W88 HydrophobicContact CG-CZ2 4.29Å; L71-W88 HydrophobicContact CG-CZ3 3.86Å; L71-F90 HydrophobicContact CD1-CE2 4.37Å; L71-V92 HydrophobicContact CD1-CG2 4.2Å; L71-L99 HydrophobicContact CB-CD2 4.26Å; L71-L99 HydrophobicContact CD1-CD2 4.29Å; L71-L99 HydrophobicContact CD2-CD1 3.7Å; L71-L99 HydrophobicContact CD2-CD2 4.17Å; L71-L99 HydrophobicContact CG-CD2 4.49Å; L71-I101 HydrophobicContact CD1-CD1 3.82Å; L71-I101 HydrophobicContact CD1-CG1 3.89Å; L71-A114 HydrophobicContact CB-CB 3.92Å
72I92.8Very high93.2Very high1 Ų130.6 Ų30.61%0.00516%0.163CC..THydrogen-bonded Turntrans-58.1134-172.9-155.2167.1000111.5A68 K69 R74 A114 E115 F148 Q152 A155 A159A68-I72 PolarHBondContact O-N 2.92Å; K69-I72 WeakPolarHBondContact O-CG2 3.49Å; I72-R74 PolarHBondContact O-N 3.47Å; I72-R74 VanDerWaalsContact O-N 3.1Å; I72-A114 HydrophobicContact CB-CB 4.13Å; I72-A114 HydrophobicContact CG1-CB 4.31Å; I72-E115 HydrophobicContact CG1-CG 4.32Å; I72-F148 HydrophobicContact CG2-CE2 4Å; I72-F148 HydrophobicContact CG2-CZ 3.99Å; I72-Q152 WeakPolarHBondContact O-CG 3.43Å; I72-A155 HydrophobicContact CD1-CB 4.34Å; I72-A155 HydrophobicContact CG1-CB 3.67Å; I72-A159 HydrophobicContact CD1-CB 4.48Å
73G89.4Confident93.1Very high18 Ų1830.7 Ų30.719%0.18617%0.165CC..THydrogen-bonded Turntrans64.49.4178.400000116.5L71 S151L71-G73 PolarHBondContact O-N 2.7Å; G73-S151 PolarHBondContact O-OG 3.34Å
74R89.6Confident92.8Very high42 Ų4229.8 Ų29.816%0.15816%0.16CC..  trans-100.2162.3179.7-65-165.4-171.1-91.1-0.4112.9R70 L71 I72 D78 S80 V81 T224R70-R74 WeakPolarHBondContact O-CD 3.39Å; R70-R74 PolarHBondContact O-NE 3.17Å; L71-R74 PolarHBondContact O-N 2.72Å; I72-R74 PolarHBondContact O-N 3.47Å; I72-R74 VanDerWaalsContact O-N 3.1Å; R74-D78 WeakPolarHBondContact CB-OD2 3.32Å; R74-S80 PolarHBondContact NH1-OG 2.84Å; R74-V81 HydrophobicContact CB-CG2 3.82Å; R74-V81 HydrophobicContact CG-CG2 4.38Å; R74-T224 PolarHBondContact NH2-OG1 2.88Å
75R88Confident92.6Very high104 Ų10432.2 Ų32.239%0.39217%0.172SC..  trans-91.2154.4171.8-59.1-176.9-62-87.2-10.9110.8D77 D78 N452R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.15Å; R75-D77 IonicContact NE-OD1 3.24Å; R75-D77 PolarHBondContact O-N 3.45Å; R75-D78 IonicContact CZ-OD1 2.76Å; R75-D78 VanDerWaalsContact CZ-OD1 3.27Å; R75-D78 PolarHBondContact N-OD2 3.27Å; R75-D78 IonicContact NE-OD1 3.76Å; R75-D78 PolarHBondContact NE-OD1 3.37Å; R75-D78 IonicContact NH2-OD1 2.71Å; R75-D78 PolarHBondContact NH2-OD1 2.94Å; R75-D78 WeakPolarHBondContact O-CB 3.29Å; R75-D78 PolarHBondContact O-N 2.84Å; R75-N452 PolarHBondContact NH1-OD1 3.42Å
76F91.6Very high92.3Very high42 Ų4240.1 Ų40.118%0.18421%0.207CC..THydrogen-bonded Turntrans-59.5-37.5177.8-178.8-96.8000112.7D78 Q82 M85 V92 T93 Q94 L99F76-D78 VanDerWaalsContact C-N 3.32Å; F76-D78 PolarHBondContact O-N 3.22Å; F76-Q82 PolarHBondContact O-NE2 2.72Å; F76-M85 HydrophobicContact CD2-SD 4.45Å; F76-M85 HydrophobicContact CE2-CE 3.8Å; F76-M85 HydrophobicContact CE2-SD 3.86Å; F76-M85 HydrophobicContact CZ-CE 4Å; F76-M85 HydrophobicContact CZ-SD 4.32Å; F76-V92 HydrophobicContact CD2-CG1 4.32Å; F76-V92 HydrophobicContact CE2-CG1 4.29Å; F76-T93 WeakPolarHBondContact CD2-O 3.42Å; F76-Q94 HydrophobicContact CB-CB 4.02Å; F76-Q94 HydrophobicContact CB-CG 3.95Å; F76-Q94 HydrophobicContact CD1-CB 3.97Å; F76-Q94 HydrophobicContact CD2-CB 4.02Å; F76-Q94 HydrophobicContact CE1-CB 4.46Å; F76-Q94 HydrophobicContact CG-CB 3.73Å; F76-Q94 HydrophobicContact CG-CG 4.21Å; F76-L99 HydrophobicContact CB-CB 4.36Å; F76-L99 HydrophobicContact CD2-CD1 4.31Å; F76-L99 HydrophobicContact CD2-CG 4.46Å
77D90.5Very high91.9Very high104 Ų10443 Ų4356%0.55622%0.22SC*.THydrogen-bonded Turntrans-85.21.9-177.661.1-22.5000114.2R75R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.15Å; R75-D77 IonicContact NE-OD1 3.24Å; R75-D77 PolarHBondContact O-N 3.45Å
78D87.9Confident91.8Very high19 Ų1943.7 Ų43.710%0.10222%0.222CC..  trans-61.4133177-76.5-19.5000110.7R74 R75 F76 S80 V81 Q82R74-D78 WeakPolarHBondContact CB-OD2 3.32Å; R75-D78 IonicContact CZ-OD1 2.76Å; R75-D78 VanDerWaalsContact CZ-OD1 3.27Å; R75-D78 PolarHBondContact N-OD2 3.27Å; R75-D78 IonicContact NE-OD1 3.76Å; R75-D78 PolarHBondContact NE-OD1 3.37Å; R75-D78 IonicContact NH2-OD1 2.71Å; R75-D78 PolarHBondContact NH2-OD1 2.94Å; R75-D78 WeakPolarHBondContact O-CB 3.29Å; R75-D78 PolarHBondContact O-N 2.84Å; F76-D78 VanDerWaalsContact C-N 3.32Å; F76-D78 PolarHBondContact O-N 3.22Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 VanDerWaalsContact O-N 3.16Å; D78-V81 HydrophobicContact CB-CB 4.29Å; D78-V81 HydrophobicContact CB-CG2 3.99Å; D78-V81 WeakPolarHBondContact O-CB 3.38Å; D78-V81 PolarHBondContact O-N 2.69Å; D78-Q82 PolarHBondContact O-N 3.03Å
79P90.8Very high91.8Very high109 Ų10944 Ų4471%0.70822%0.224SC*.Hα-helixtrans-56.5-35.4-177-28.735.1000114.3S83P79-S83 WeakPolarHBondContact O-CB 3.5Å; P79-S83 PolarHBondContact O-N 3.29Å
80S89.2Confident91.8Very high23 Ų2344 Ų4416%0.16122%0.224CC..Hα-helixtrans-65.8-44176.3600000111.5R74 D78 Q82 S83 D84R74-S80 PolarHBondContact NH1-OG 2.84Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 VanDerWaalsContact O-N 3.16Å; S80-Q82 PolarHBondContact O-N 3.39Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.64Å; S80-S83 VanDerWaalsContact O-N 3.15Å; S80-D84 PolarHBondContact O-N 3.06Å
81V92.7Very high91.9Very high0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-62.1-45.6177.11740000110.4L71 R74 D78 S83 D84 M85 L99L71-V81 HydrophobicContact CD2-CG1 3.91Å; L71-V81 HydrophobicContact CD2-CG2 4.23Å; R74-V81 HydrophobicContact CB-CG2 3.82Å; R74-V81 HydrophobicContact CG-CG2 4.38Å; D78-V81 HydrophobicContact CB-CB 4.29Å; D78-V81 HydrophobicContact CB-CG2 3.99Å; D78-V81 WeakPolarHBondContact O-CB 3.38Å; D78-V81 PolarHBondContact O-N 2.69Å; V81-S83 PolarHBondContact O-N 3.4Å; V81-D84 PolarHBondContact O-N 2.86Å; V81-M85 HydrophobicContact CG1-CG 4.28Å; V81-M85 HydrophobicContact CG1-SD 3.95Å; V81-M85 WeakPolarHBondContact O-CB 3.14Å; V81-M85 VanDerWaalsContact O-CG 3.24Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.78Å; V81-L99 HydrophobicContact CG1-CD1 3.61Å
82Q94.6Very high92Very high75 Ų7548.9 Ų48.935%0.3525%0.247SC..Hα-helixtrans-62.8-30.6176.9-68.3-62.7-50.300113F76 D78 S80 K86F76-Q82 PolarHBondContact O-NE2 2.72Å; D78-Q82 PolarHBondContact O-N 3.03Å; S80-Q82 PolarHBondContact O-N 3.39Å; Q82-K86 WeakPolarHBondContact O-CE 3.3Å
83S92.4Very high92.1Very high52 Ų5250 Ų5036%0.36425%0.254SS..Hα-helixtrans-71.7-51.3173.7-167.30000111.2P79 S80 V81 M85 K86P79-S83 WeakPolarHBondContact O-CB 3.5Å; P79-S83 PolarHBondContact O-N 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.64Å; S80-S83 VanDerWaalsContact O-N 3.15Å; V81-S83 PolarHBondContact O-N 3.4Å; S83-M85 VanDerWaalsContact C-N 3.35Å; S83-M85 PolarHBondContact O-N 2.88Å; S83-K86 WeakPolarHBondContact O-CB 3.33Å; S83-K86 PolarHBondContact O-N 3.22Å
84D92.2Very high92.3Very high4 Ų453.7 Ų53.72%0.02127%0.267CS..Hα-helixtrans-60.7-39.9-178.7-82.5-30.3000113.8R70 S80 V81 K86 H87 W88 H225R70-D84 IonicContact NH1-OD1 2.68Å; R70-D84 PolarHBondContact NH1-OD1 3.19Å; S80-D84 PolarHBondContact O-N 3.06Å; V81-D84 PolarHBondContact O-N 2.86Å; D84-K86 PolarHBondContact O-N 3.33Å; D84-H87 WeakPolarHBondContact O-CA 3.3Å; D84-H87 WeakPolarHBondContact O-CB 2.98Å; D84-H87 PolarHBondContact O-N 3.31Å; D84-W88 HydrophobicContact CB-CD2 4.27Å; D84-W88 HydrophobicContact CB-CE3 4.1Å; D84-W88 HydrophobicContact CB-CH2 3.21Å; D84-W88 HydrophobicContact CB-CZ2 3.46Å; D84-W88 VanDerWaalsContact CB-CZ2 3.46Å; D84-W88 HydrophobicContact CB-CZ3 3.55Å; D84-W88 PolarHBondContact O-N 2.97Å; D84-H225 IonicContact OD1-CE1 3.73Å; D84-H225 PolarHBondContact OD1-CE1 3.43Å; D84-H225 IonicContact OD1-NE2 3.54Å; D84-H225 PolarHBondContact OD1-NE2 2.95Å; D84-H225 IonicContact OD2-CE1 3.7Å; D84-H225 PolarHBondContact OD2-CE1 3.09Å; D84-H225 IonicContact OD2-ND1 2.74Å; D84-H225 IonicContact OD2-NE2 3.12Å
85M93.7Very high92.2Very high51 Ų5155 Ų5525%0.25128%0.279SS..THydrogen-bonded Turntrans-55.6-22.1-179.4-78.6177.36000113.2F76 V81 S83 H87 W88 V92F76-M85 HydrophobicContact CD2-SD 4.45Å; F76-M85 HydrophobicContact CE2-CE 3.8Å; F76-M85 HydrophobicContact CE2-SD 3.86Å; F76-M85 HydrophobicContact CZ-CE 4Å; F76-M85 HydrophobicContact CZ-SD 4.32Å; V81-M85 HydrophobicContact CG1-CG 4.28Å; V81-M85 HydrophobicContact CG1-SD 3.95Å; V81-M85 WeakPolarHBondContact O-CB 3.14Å; V81-M85 VanDerWaalsContact O-CG 3.24Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.78Å; S83-M85 VanDerWaalsContact C-N 3.35Å; S83-M85 PolarHBondContact O-N 2.88Å; M85-H87 PolarHBondContact O-N 3.4Å; M85-W88 HydrophobicContact CB-CE3 4.39Å; M85-W88 HydrophobicContact CG-CE3 3.93Å; M85-W88 HydrophobicContact CG-CZ3 3.86Å; M85-V92 HydrophobicContact CE-CB 3.93Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 VanDerWaalsContact CE-O 3.25Å; M85-V92 WeakPolarHBondContact CE-O 3.4Å; M85-V92 HydrophobicContact CG-CB 4.03Å; M85-V92 HydrophobicContact CG-CG1 4.41Å; M85-V92 HydrophobicContact CG-CG2 4.34Å; M85-V92 HydrophobicContact SD-CB 3.94Å; M85-V92 HydrophobicContact SD-CG1 3.99Å
86K91.2Very high92Very high167 Ų16754.1 Ų54.173%0.72630%0.302SS*.THydrogen-bonded Turntrans-71.9-19.7175.8-59.9171.2-173.8168.10113Q82 S83 D84Q82-K86 WeakPolarHBondContact O-CE 3.3Å; S83-K86 WeakPolarHBondContact O-CB 3.33Å; S83-K86 PolarHBondContact O-N 3.22Å; D84-K86 PolarHBondContact O-N 3.33Å
87H89.7Confident91.5Very high61 Ų6154.4 Ų54.428%0.28232%0.317SS..THydrogen-bonded Turntrans-104.4-13.5-175.4-58.5-66.2000113.1D84 M85D84-H87 WeakPolarHBondContact O-CA 3.3Å; D84-H87 WeakPolarHBondContact O-CB 2.98Å; D84-H87 PolarHBondContact O-N 3.31Å; M85-H87 PolarHBondContact O-N 3.4Å
88W93.3Very high91.2Very high22 Ų2251.4 Ų51.48%0.08330%0.299CS..  trans-89140.4-178.7-66.2-38.6000113.4F66 D67 R70 L71 D84 M85 F90 V92F66-W88 AromaticContact CE2-CD1 3.79Å; D67-W88 HydrophobicContact CB-CZ2 4.09Å; D67-W88 PolarHBondContact OD2-NE1 3.09Å; R70-W88 HydrophobicContact CB-CZ2 4.27Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.96Å; L71-W88 HydrophobicContact CD2-CH2 3.37Å; L71-W88 HydrophobicContact CD2-CZ3 3.44Å; L71-W88 VanDerWaalsContact CD2-CZ3 3.44Å; L71-W88 HydrophobicContact CG-CH2 3.5Å; L71-W88 VanDerWaalsContact CG-CH2 3.5Å; L71-W88 HydrophobicContact CG-CZ2 4.29Å; L71-W88 HydrophobicContact CG-CZ3 3.86Å; D84-W88 HydrophobicContact CB-CD2 4.27Å; D84-W88 HydrophobicContact CB-CE3 4.1Å; D84-W88 HydrophobicContact CB-CH2 3.21Å; D84-W88 HydrophobicContact CB-CZ2 3.46Å; D84-W88 VanDerWaalsContact CB-CZ2 3.46Å; D84-W88 HydrophobicContact CB-CZ3 3.55Å; D84-W88 PolarHBondContact O-N 2.97Å; M85-W88 HydrophobicContact CB-CE3 4.39Å; M85-W88 HydrophobicContact CG-CE3 3.93Å; M85-W88 HydrophobicContact CG-CZ3 3.86Å; W88-F90 HydrophobicContact CB-CD1 4.22Å; W88-F90 HydrophobicContact CB-CD2 4.27Å; W88-F90 HydrophobicContact CB-CE1 3.88Å; W88-F90 HydrophobicContact CB-CE2 3.93Å; W88-F90 HydrophobicContact CB-CG 4.41Å; W88-F90 HydrophobicContact CB-CZ 3.74Å; W88-F90 AromaticContact CD1-CE1 3.84Å; W88-F90 AromaticContact CD1-CZ 3.63Å; W88-F90 HydrophobicContact CD2-CE1 4.47Å; W88-F90 AromaticContact CD2-CE2 3.85Å; W88-F90 HydrophobicContact CD2-CE2 3.85Å; W88-F90 AromaticContact CD2-CZ 3.59Å; W88-F90 HydrophobicContact CD2-CZ 3.59Å; W88-F90 AromaticContact CE2-CZ 3.98Å; W88-F90 AromaticContact CE3-CE2 3.95Å; W88-F90 HydrophobicContact CE3-CE2 3.95Å; W88-F90 HydrophobicContact CE3-CZ 4.17Å; W88-F90 AromaticContact CG-CE1 3.81Å; W88-F90 HydrophobicContact CG-CE1 3.81Å; W88-F90 AromaticContact CG-CE2 3.86Å; W88-F90 HydrophobicContact CG-CE2 3.86Å; W88-F90 AromaticContact CG-CZ 3.37Å; W88-F90 HydrophobicContact CG-CZ 3.37Å; W88-F90 AromaticContact NE1-CZ 3.99Å; W88-V92 HydrophobicContact CE3-CG2 4.06Å; W88-V92 HydrophobicContact CZ3-CG2 4.33Å
89P94.4Very high91.4Very high15 Ų1551.2 Ų51.210%0.09730%0.298CS..SBendtrans-81.2-24.817631-34.5000113.9P61 F66 K255P61-P89 HydrophobicContact CB-CB 3.85Å; P61-P89 HydrophobicContact CB-CG 4.22Å; P61-P89 WeakPolarHBondContact O-CB 3.41Å; P61-P89 WeakPolarHBondContact O-CG 3.47Å; F66-P89 HydrophobicContact CE1-CG 3.83Å; F66-P89 HydrophobicContact CZ-CG 4.09Å; P89-K255 HydrophobicContact CB-CD 4.4Å; P89-K255 PolarHBondContact O-NZ 2.9Å
90F96.1Very high91.7Very high10 Ų1047.5 Ų47.54%0.04427%0.271CS..SBendtrans-83.4155.1178.953-97000111.6T62 T64 V65 F66 L71 W88 V92 I101T62-F90 WeakPolarHBondContact O-CA 3.13Å; T62-F90 VanDerWaalsContact O-CB 3.32Å; T62-F90 WeakPolarHBondContact O-CB 3.29Å; T64-F90 VanDerWaalsContact O-CD1 3.28Å; T64-F90 WeakPolarHBondContact O-CD1 3.29Å; V65-F90 HydrophobicContact CG1-CE1 4.39Å; V65-F90 HydrophobicContact CG1-CE2 4.36Å; V65-F90 HydrophobicContact CG1-CZ 4.23Å; F66-F90 HydrophobicContact CD1-CD1 4.44Å; F66-F90 AromaticContact CD1-CE1 3.94Å; F66-F90 HydrophobicContact CD1-CE1 3.94Å; F66-F90 HydrophobicContact CE1-CD1 4.21Å; F66-F90 AromaticContact CE1-CE1 3.87Å; F66-F90 HydrophobicContact CE1-CE1 3.87Å; F66-F90 HydrophobicContact CG-CE1 4.29Å; F66-F90 HydrophobicContact CZ-CE1 4.17Å; F66-F90 WeakPolarHBondContact O-CZ 3.31Å; L71-F90 HydrophobicContact CD1-CE2 4.37Å; W88-F90 HydrophobicContact CB-CD1 4.22Å; W88-F90 HydrophobicContact CB-CD2 4.27Å; W88-F90 HydrophobicContact CB-CE1 3.88Å; W88-F90 HydrophobicContact CB-CE2 3.93Å; W88-F90 HydrophobicContact CB-CG 4.41Å; W88-F90 HydrophobicContact CB-CZ 3.74Å; W88-F90 AromaticContact CD1-CE1 3.84Å; W88-F90 AromaticContact CD1-CZ 3.63Å; W88-F90 HydrophobicContact CD2-CE1 4.47Å; W88-F90 AromaticContact CD2-CE2 3.85Å; W88-F90 HydrophobicContact CD2-CE2 3.85Å; W88-F90 AromaticContact CD2-CZ 3.59Å; W88-F90 HydrophobicContact CD2-CZ 3.59Å; W88-F90 AromaticContact CE2-CZ 3.98Å; W88-F90 AromaticContact CE3-CE2 3.95Å; W88-F90 HydrophobicContact CE3-CE2 3.95Å; W88-F90 HydrophobicContact CE3-CZ 4.17Å; W88-F90 AromaticContact CG-CE1 3.81Å; W88-F90 HydrophobicContact CG-CE1 3.81Å; W88-F90 AromaticContact CG-CE2 3.86Å; W88-F90 HydrophobicContact CG-CE2 3.86Å; W88-F90 AromaticContact CG-CZ 3.37Å; W88-F90 HydrophobicContact CG-CZ 3.37Å; W88-F90 AromaticContact NE1-CZ 3.99Å; F90-V92 HydrophobicContact CD2-CG2 3.89Å; F90-V92 HydrophobicContact CE2-CG2 3.79Å; F90-I101 HydrophobicContact CD2-CG2 4.01Å; F90-I101 HydrophobicContact CE2-CG2 4.5Å
91E95.8Very high92.1Very high97 Ų9746.4 Ų46.445%0.45326%0.263SS..EExtended strand (participates in β ladder)trans-84.5130.6-177.6-170.3-172.8179.400110.1T93 C102 K109E91-T93 HydrophobicContact CG-CG2 3.69Å; E91-T93 VanDerWaalsContact OE1-CG2 3.29Å; E91-T93 WeakPolarHBondContact OE1-CG2 3.41Å; E91-C102 HydrophobicContact CB-CB 4.14Å; E91-C102 HydrophobicContact CG-CB 4.45Å; E91-C102 PolarHBondContact O-N 2.96Å; E91-K109 IonicContact OE1-NZ 2.66Å; E91-K109 IonicContact OE2-NZ 2.65Å; E91-K109 PolarHBondContact OE2-NZ 3.34Å
92V96.7Very high92.3Very high10 Ų1046.7 Ų46.76%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-116.1129170.1-178.80000107.7L71 F76 M85 W88 F90 L99 K100L71-V92 HydrophobicContact CD1-CG2 4.2Å; F76-V92 HydrophobicContact CD2-CG1 4.32Å; F76-V92 HydrophobicContact CE2-CG1 4.29Å; M85-V92 HydrophobicContact CE-CB 3.93Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 VanDerWaalsContact CE-O 3.25Å; M85-V92 WeakPolarHBondContact CE-O 3.4Å; M85-V92 HydrophobicContact CG-CB 4.03Å; M85-V92 HydrophobicContact CG-CG1 4.41Å; M85-V92 HydrophobicContact CG-CG2 4.34Å; M85-V92 HydrophobicContact SD-CB 3.94Å; M85-V92 HydrophobicContact SD-CG1 3.99Å; W88-V92 HydrophobicContact CE3-CG2 4.06Å; W88-V92 HydrophobicContact CZ3-CG2 4.33Å; F90-V92 HydrophobicContact CD2-CG2 3.89Å; F90-V92 HydrophobicContact CE2-CG2 3.79Å; V92-L99 HydrophobicContact CG1-CD1 3.6Å; V92-L99 HydrophobicContact CG1-CD2 3.86Å; V92-L99 HydrophobicContact CG1-CG 3.57Å; V92-K100 WeakPolarHBondContact CA-O 3.4Å
93T94.8Very high92.4Very high25 Ų2543.3 Ų43.315%0.15325%0.249CC..EExtended strand (participates in β ladder)trans-131.9176-173.869.40000110.7F76 E91 L99 K100F76-T93 WeakPolarHBondContact CD2-O 3.42Å; E91-T93 HydrophobicContact CG-CG2 3.69Å; E91-T93 VanDerWaalsContact OE1-CG2 3.29Å; E91-T93 WeakPolarHBondContact OE1-CG2 3.41Å; T93-L99 WeakPolarHBondContact O-CA 3.36Å; T93-K100 PolarHBondContact N-O 3.32Å; T93-K100 PolarHBondContact O-N 3.48Å; T93-K100 PolarHBondContact OG1-O 3.06Å
94Q92.2Very high92.6Very high96 Ų9645.6 Ų45.645%0.44925%0.254SS..EExtended strand (participates in β ladder)trans-120.7127.5173.2-166.4177.927.600110.2F76 G97 K98F76-Q94 HydrophobicContact CB-CB 4.02Å; F76-Q94 HydrophobicContact CB-CG 3.95Å; F76-Q94 HydrophobicContact CD1-CB 3.97Å; F76-Q94 HydrophobicContact CD2-CB 4.02Å; F76-Q94 HydrophobicContact CE1-CB 4.46Å; F76-Q94 HydrophobicContact CG-CB 3.73Å; F76-Q94 HydrophobicContact CG-CG 4.21Å; Q94-G97 PolarHBondContact NE2-O 3.41Å; Q94-K98 WeakPolarHBondContact CA-O 3.39Å
95V88.8Confident92.7Very high70 Ų7045.6 Ų45.642%0.42425%0.254SS..EExtended strand (participates in β ladder)trans-129.8123.3175.2-177.60000108.9G97 K98 K100 M111V95-G97 PolarHBondContact O-N 3.06Å; V95-K98 PolarHBondContact N-O 2.86Å; V95-K98 PolarHBondContact O-N 2.95Å; V95-K100 HydrophobicContact CB-CG 4.21Å; V95-K100 HydrophobicContact CG2-CB 4.49Å; V95-K100 HydrophobicContact CG2-CG 4.31Å; V95-M111 HydrophobicContact CG2-CE 3.81Å; V95-M111 HydrophobicContact CG2-SD 3.57Å; V95-M111 VanDerWaalsContact CG2-SD 3.57Å
96G83.9Confident92.6Very high85 Ų8547.3 Ų47.388%0.87626%0.26SS*.THydrogen-bonded Turntrans58.430.9-179.200000113.5K98G96-K98 VanDerWaalsContact C-N 3.25Å; G96-K98 PolarHBondContact O-N 3.27Å
97G80.7Confident92.5Very high48 Ų4841.8 Ų41.850%0.49525%0.251SS..THydrogen-bonded Turntrans82.9-11.3-176.100000115.1Q94 V95Q94-G97 PolarHBondContact NE2-O 3.41Å; V95-G97 PolarHBondContact O-N 3.06Å
98K84Confident92.7Very high41 Ų4144.2 Ų44.218%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-95141.4180-61.2-174.9-179.4-178.40111.4Q94 V95 G96 G506 R507 E512Q94-K98 WeakPolarHBondContact CA-O 3.39Å; V95-K98 PolarHBondContact N-O 2.86Å; V95-K98 PolarHBondContact O-N 2.95Å; G96-K98 VanDerWaalsContact C-N 3.25Å; G96-K98 PolarHBondContact O-N 3.27Å; K98-G506 WeakPolarHBondContact CE-O 3.28Å; K98-R507 WeakPolarHBondContact CE-O 3.45Å; K98-R507 PolarHBondContact NZ-O 3.47Å; K98-E512 IonicContact NZ-OE1 2.72Å; K98-E512 PolarHBondContact NZ-OE1 3.18Å; K98-E512 IonicContact NZ-OE2 3.45Å; K98-E512 PolarHBondContact NZ-OE2 3.2Å
99L93.1Very high92.8Very high14 Ų1450 Ų507%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-67.4134.8172-179.8146.8000110.1L71 F76 V81 V92 T93 I101L71-L99 HydrophobicContact CB-CD2 4.26Å; L71-L99 HydrophobicContact CD1-CD2 4.29Å; L71-L99 HydrophobicContact CD2-CD1 3.7Å; L71-L99 HydrophobicContact CD2-CD2 4.17Å; L71-L99 HydrophobicContact CG-CD2 4.49Å; F76-L99 HydrophobicContact CB-CB 4.36Å; F76-L99 HydrophobicContact CD2-CD1 4.31Å; F76-L99 HydrophobicContact CD2-CG 4.46Å; V81-L99 HydrophobicContact CG1-CD1 3.61Å; V92-L99 HydrophobicContact CG1-CD1 3.6Å; V92-L99 HydrophobicContact CG1-CD2 3.86Å; V92-L99 HydrophobicContact CG1-CG 3.57Å; T93-L99 WeakPolarHBondContact O-CA 3.36Å; L99-I101 HydrophobicContact CD2-CG1 4.4Å
100K95.5Very high92.8Very high32 Ų3251.9 Ų51.914%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-134.5133.9177.5-72.9-64.3-170.8168.10111V92 T93 V95 M111 F112 E116V92-K100 WeakPolarHBondContact CA-O 3.4Å; T93-K100 PolarHBondContact N-O 3.32Å; T93-K100 PolarHBondContact O-N 3.48Å; T93-K100 PolarHBondContact OG1-O 3.06Å; V95-K100 HydrophobicContact CB-CG 4.21Å; V95-K100 HydrophobicContact CG2-CB 4.49Å; V95-K100 HydrophobicContact CG2-CG 4.31Å; K100-M111 HydrophobicContact CB-CB 4.26Å; K100-M111 HydrophobicContact CB-SD 4.37Å; K100-F112 CarbonylContact C-O 3.56Å; K100-F112 WeakPolarHBondContact CA-O 3.43Å; K100-F112 WeakPolarHBondContact CD-O 3.11Å; K100-E116 IonicContact NZ-OE2 2.9Å; K100-E116 PolarHBondContact NZ-OE2 2.85Å
101I97.8Very high92.8Very high0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-89.2125.7173.2-58.6158000107.2V65 L71 F90 L99 V103 M111 F112 I117V65-I101 HydrophobicContact CG1-CD1 4.06Å; V65-I101 HydrophobicContact CG1-CG2 4Å; V65-I101 HydrophobicContact CG2-CG2 3.63Å; L71-I101 HydrophobicContact CD1-CD1 3.82Å; L71-I101 HydrophobicContact CD1-CG1 3.89Å; F90-I101 HydrophobicContact CD2-CG2 4.01Å; F90-I101 HydrophobicContact CE2-CG2 4.5Å; L99-I101 HydrophobicContact CD2-CG1 4.4Å; I101-V103 HydrophobicContact CG2-CG1 4.4Å; I101-M111 WeakPolarHBondContact O-CA 3.27Å; I101-F112 PolarHBondContact N-O 2.86Å; I101-F112 PolarHBondContact O-N 3.43Å; I101-I117 HydrophobicContact CD1-CB 4.45Å; I101-I117 HydrophobicContact CD1-CG1 3.75Å
102C97.1Very high92.8Very high5 Ų551.3 Ų51.33%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-108.9129-176.4-154.60000111.9E91 K109 K110 M111E91-C102 HydrophobicContact CB-CB 4.14Å; E91-C102 HydrophobicContact CG-CB 4.45Å; E91-C102 PolarHBondContact O-N 2.96Å; C102-K109 WeakPolarHBondContact SG-CE 3.42Å; C102-K109 WeakPolarHBondContact SG-CG 3.43Å; C102-K110 WeakPolarHBondContact CA-O 3.47Å; C102-K110 PolarHBondContact SG-O 2.99Å; C102-M111 HydrophobicContact CB-CG 4.28Å; C102-M111 VanDerWaalsContact SG-CG 3.57Å
103V97.3Very high92.7Very high4 Ų451.1 Ų51.12%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-138.7158.6-178.1-62.10000109.9F42 N63 V65 I101 K110 F112F42-V103 HydrophobicContact CB-CB 4.49Å; F42-V103 HydrophobicContact CB-CG2 4.31Å; F42-V103 HydrophobicContact CD1-CG2 4.23Å; F42-V103 HydrophobicContact CD2-CB 3.88Å; F42-V103 HydrophobicContact CD2-CG1 3.82Å; F42-V103 HydrophobicContact CD2-CG2 3.59Å; F42-V103 HydrophobicContact CE1-CG2 4.48Å; F42-V103 HydrophobicContact CE2-CB 4.42Å; F42-V103 HydrophobicContact CE2-CG1 4.08Å; F42-V103 HydrophobicContact CE2-CG2 3.88Å; F42-V103 HydrophobicContact CG-CB 4.29Å; F42-V103 HydrophobicContact CG-CG2 3.78Å; F42-V103 HydrophobicContact CZ-CG2 4.32Å; N63-V103 HydrophobicContact CB-CB 4.45Å; V65-V103 HydrophobicContact CG2-CG1 3.73Å; I101-V103 HydrophobicContact CG2-CG1 4.4Å; V103-K110 HydrophobicContact CG2-CB 4.31Å; V103-K110 PolarHBondContact N-O 2.67Å; V103-K110 PolarHBondContact O-N 2.87Å; V103-F112 HydrophobicContact CG2-CD2 3.75Å; V103-F112 HydrophobicContact CG2-CE2 3.59Å
104E97.1Very high92.8Very high100 Ų10050.1 Ų50.147%0.46729%0.286SS..EExtended strand (participates in β ladder)trans-94.1127.2165.9-168.5170.7178.300109.1F42 N63 E108F42-E104 WeakPolarHBondContact CB-O 3.43Å; N63-E104 PolarHBondContact OD1-N 2.79Å; E104-E108 WeakPolarHBondContact CA-O 3.34Å
105Y94.6Very high93Very high4 Ų446.4 Ų46.42%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-138122.3178.8-178.7-130.4000109F42 T43 E46 R47 G107 E108 Y523 E526F42-Y105 HydrophobicContact CB-CD2 3.87Å; F42-Y105 HydrophobicContact CB-CG 4.23Å; F42-Y105 HydrophobicContact CD1-CD1 4.44Å; F42-Y105 AromaticContact CD1-CD2 3.96Å; F42-Y105 HydrophobicContact CD1-CD2 3.96Å; F42-Y105 AromaticContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CG-CD2 4.43Å; T43-Y105 WeakPolarHBondContact O-CD2 3.44Å; E46-Y105 WeakPolarHBondContact O-CE2 3.42Å; R47-Y105 HydrophobicContact CG-CD2 4.38Å; R47-Y105 HydrophobicContact CG-CE1 4.27Å; R47-Y105 HydrophobicContact CG-CE2 3.69Å; Y105-G107 VanDerWaalsContact C-N 3.28Å; Y105-G107 PolarHBondContact O-N 2.95Å; Y105-E108 PolarHBondContact N-O 3.05Å; Y105-E108 PolarHBondContact O-N 3.19Å; Y105-Y523 HydrophobicContact CD1-CE1 4.3Å; Y105-Y523 HydrophobicContact CE1-CD1 4.05Å; Y105-Y523 AromaticContact CE1-CE1 3.77Å; Y105-Y523 HydrophobicContact CE1-CE1 3.77Å; Y105-E526 PolarHBondContact OH-OE2 3.16Å
106K90.5Very high93.3Very high87 Ų8743.9 Ų43.938%0.37825%0.253SS..THydrogen-bonded Turntrans52.842.8-176.6-61.5-178.8168.7172.20113.2T43 D44 S45 E108 E526T43-K106 PolarHBondContact O-N 3.1Å; D44-K106 WeakPolarHBondContact O-CG 3.29Å; S45-K106 VanDerWaalsContact O-CE 3.25Å; S45-K106 WeakPolarHBondContact O-CE 3.44Å; K106-E108 PolarHBondContact O-N 3.36Å; K106-E526 IonicContact NZ-OE2 2.79Å; K106-E526 PolarHBondContact NZ-OE2 3.19Å
107G88.9Confident94Very high52 Ų5240 Ų4054%0.53621%0.212SC..THydrogen-bonded Turntrans69.57.1-178.100000115.4Y105Y105-G107 VanDerWaalsContact C-N 3.28Å; Y105-G107 PolarHBondContact O-N 2.95Å
108E93.8Very high94.8Very high111 Ų11138 Ų3852%0.51919%0.19SC..EExtended strand (participates in β ladder)trans-114.5139176.5-66.4-173.516900111.6E104 Y105 K106 K110E104-E108 WeakPolarHBondContact CA-O 3.34Å; Y105-E108 PolarHBondContact N-O 3.05Å; Y105-E108 PolarHBondContact O-N 3.19Å; K106-E108 PolarHBondContact O-N 3.36Å; E108-K110 PolarHBondContact O-N 2.97Å; E108-K110 VanDerWaalsContact OE2-CE 3.32Å; E108-K110 WeakPolarHBondContact OE2-CE 3.44Å; E108-K110 IonicContact OE2-NZ 3.8Å; E108-K110 PolarHBondContact OE2-NZ 2.79Å
109K95.7Very high95.5Very high143 Ų14336.2 Ų36.262%0.62218%0.182SC*.EExtended strand (participates in β ladder)trans-71.7116.5170.8-167.9166.4-175.8167.40109.1E91 C102E91-K109 IonicContact OE1-NZ 2.66Å; E91-K109 IonicContact OE2-NZ 2.65Å; E91-K109 PolarHBondContact OE2-NZ 3.34Å; C102-K109 WeakPolarHBondContact SG-CE 3.42Å; C102-K109 WeakPolarHBondContact SG-CG 3.43Å
110K95.1Very high95.7Very high56 Ų5636 Ų3624%0.24318%0.181CC..EExtended strand (participates in β ladder)trans-112.1147.3176.8-63-65.9-179.9-168.20110.7C102 V103 E108 F112C102-K110 WeakPolarHBondContact CA-O 3.47Å; C102-K110 PolarHBondContact SG-O 2.99Å; V103-K110 HydrophobicContact CG2-CB 4.31Å; V103-K110 PolarHBondContact N-O 2.67Å; V103-K110 PolarHBondContact O-N 2.87Å; E108-K110 PolarHBondContact O-N 2.97Å; E108-K110 VanDerWaalsContact OE2-CE 3.32Å; E108-K110 WeakPolarHBondContact OE2-CE 3.44Å; E108-K110 IonicContact OE2-NZ 3.8Å; E108-K110 PolarHBondContact OE2-NZ 2.79Å; K110-F112 HydrophobicContact CB-CD2 4.33Å; K110-F112 HydrophobicContact CB-CE2 3.6Å; K110-F112 HydrophobicContact CB-CZ 3.97Å; K110-F112 HydrophobicContact CG-CE2 4.46Å; K110-F112 HydrophobicContact CG-CZ 4.47Å
111M95.5Very high95.9Very high91 Ų9134.7 Ų34.745%0.44818%0.176SC..EExtended strand (participates in β ladder)trans-123.6113.6178.8-72.8-160.2-88.600110.8V95 K100 I101 C102V95-M111 HydrophobicContact CG2-CE 3.81Å; V95-M111 HydrophobicContact CG2-SD 3.57Å; V95-M111 VanDerWaalsContact CG2-SD 3.57Å; K100-M111 HydrophobicContact CB-CB 4.26Å; K100-M111 HydrophobicContact CB-SD 4.37Å; I101-M111 WeakPolarHBondContact O-CA 3.27Å; C102-M111 HydrophobicContact CB-CG 4.28Å; C102-M111 VanDerWaalsContact SG-CG 3.57Å
112F96Very high95.9Very high4 Ų434.7 Ų34.72%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-107.5145.9-179-64.3-74.8000110.6F42 K100 I101 V103 K110 E116 I117 M120 Y523F42-F112 HydrophobicContact CD1-CE2 4.06Å; F42-F112 HydrophobicContact CD1-CZ 4.44Å; F42-F112 HydrophobicContact CE1-CD2 4.12Å; F42-F112 AromaticContact CE1-CE2 3.38Å; F42-F112 HydrophobicContact CE1-CE2 3.38Å; F42-F112 AromaticContact CE1-CZ 3.66Å; F42-F112 HydrophobicContact CE1-CZ 3.66Å; F42-F112 HydrophobicContact CE2-CD2 4.37Å; F42-F112 HydrophobicContact CE2-CE2 4.32Å; F42-F112 AromaticContact CZ-CD2 3.78Å; F42-F112 HydrophobicContact CZ-CD2 3.78Å; F42-F112 AromaticContact CZ-CE2 3.54Å; F42-F112 HydrophobicContact CZ-CE2 3.54Å; F42-F112 HydrophobicContact CZ-CZ 4.11Å; K100-F112 CarbonylContact C-O 3.56Å; K100-F112 WeakPolarHBondContact CA-O 3.43Å; K100-F112 WeakPolarHBondContact CD-O 3.11Å; I101-F112 PolarHBondContact N-O 2.86Å; I101-F112 PolarHBondContact O-N 3.43Å; V103-F112 HydrophobicContact CG2-CD2 3.75Å; V103-F112 HydrophobicContact CG2-CE2 3.59Å; K110-F112 HydrophobicContact CB-CD2 4.33Å; K110-F112 HydrophobicContact CB-CE2 3.6Å; K110-F112 HydrophobicContact CB-CZ 3.97Å; K110-F112 HydrophobicContact CG-CE2 4.46Å; K110-F112 HydrophobicContact CG-CZ 4.47Å; F112-E116 WeakPolarHBondContact CA-OE2 3.43Å; F112-E116 HydrophobicContact CB-CB 4.16Å; F112-E116 HydrophobicContact CD1-CB 4.06Å; F112-I117 HydrophobicContact CB-CD1 3.81Å; F112-I117 HydrophobicContact CB-CG1 4.05Å; F112-I117 HydrophobicContact CD2-CD1 4.23Å; F112-I117 HydrophobicContact CG-CD1 4.08Å; F112-M120 HydrophobicContact CD1-CE 3.8Å; F112-M120 HydrophobicContact CE1-CE 3.73Å; F112-M120 HydrophobicContact CG-CE 4.35Å; F112-M120 HydrophobicContact CZ-CE 4.24Å; F112-Y523 HydrophobicContact CE1-CE2 4.03Å; F112-Y523 HydrophobicContact CZ-CE2 4.44Å
113S95.3Very high95.9Very high5 Ų535.8 Ų35.84%0.03518%0.182CC..  trans-77.3167163.979.60000110.4E115 E116 I117S113-E115 WeakPolarHBondContact CB-OE2 3.44Å; S113-E115 PolarHBondContact O-N 3.48Å; S113-E115 PolarHBondContact OG-N 2.99Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; S113-E116 PolarHBondContact N-OE2 2.74Å; S113-E116 PolarHBondContact O-N 3.33Å; S113-E116 PolarHBondContact OG-N 3.23Å; S113-E116 PolarHBondContact OG-OE2 2.79Å; S113-I117 PolarHBondContact O-N 3.48Å
114A96Very high95.9Very high4 Ų436.9 Ų36.93%0.03319%0.187CC..Hα-helixtrans-63.9-33.9175.200000111.5L71 I72 I117 S118L71-A114 HydrophobicContact CB-CB 3.92Å; I72-A114 HydrophobicContact CB-CB 4.13Å; I72-A114 HydrophobicContact CG1-CB 4.31Å; A114-I117 PolarHBondContact O-N 2.93Å; A114-S118 WeakPolarHBondContact O-CB 3.24Å; A114-S118 PolarHBondContact O-N 3.17Å; A114-S118 PolarHBondContact O-OG 2.77Å
115E95.9Very high95.9Very high18 Ų1832.1 Ų32.18%0.08417%0.165CC..Hα-helixtrans-62.3-41.3174.2-56.686.5166.100111.9I72 S113 S118 S119 A155 A159 I162 L508I72-E115 HydrophobicContact CG1-CG 4.32Å; S113-E115 WeakPolarHBondContact CB-OE2 3.44Å; S113-E115 PolarHBondContact O-N 3.48Å; S113-E115 PolarHBondContact OG-N 2.99Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; E115-S118 PolarHBondContact O-N 2.96Å; E115-S119 VanDerWaalsContact O-CB 3.3Å; E115-S119 WeakPolarHBondContact O-CB 3.11Å; E115-S119 PolarHBondContact O-N 3.28Å; E115-S119 PolarHBondContact O-OG 3.31Å; E115-A155 HydrophobicContact CG-CB 3.8Å; E115-A155 WeakPolarHBondContact CG-O 3.33Å; E115-A155 WeakPolarHBondContact OE1-CB 3.34Å; E115-A159 HydrophobicContact CB-CB 4.2Å; E115-A159 WeakPolarHBondContact O-CB 3.47Å; E115-I162 HydrophobicContact CB-CD1 4.09Å; E115-L508 HydrophobicContact CB-CD1 4.04Å; E115-L508 HydrophobicContact CG-CD1 4.12Å
116E96.3Very high96.1Very high18 Ų1833.1 Ų33.18%0.08417%0.169CC..Hα-helixtrans-64.8-38.8175.6-67.3173.292.700111.6K100 F112 S113 S119 M120 M516K100-E116 IonicContact NZ-OE2 2.9Å; K100-E116 PolarHBondContact NZ-OE2 2.85Å; F112-E116 WeakPolarHBondContact CA-OE2 3.43Å; F112-E116 HydrophobicContact CB-CB 4.16Å; F112-E116 HydrophobicContact CD1-CB 4.06Å; S113-E116 PolarHBondContact N-OE2 2.74Å; S113-E116 PolarHBondContact O-N 3.33Å; S113-E116 PolarHBondContact OG-N 3.23Å; S113-E116 PolarHBondContact OG-OE2 2.79Å; E116-S119 PolarHBondContact O-OG 3.16Å; E116-M120 WeakPolarHBondContact O-CE 3.45Å; E116-M120 VanDerWaalsContact O-CG 3.31Å; E116-M120 WeakPolarHBondContact O-CG 3.47Å; E116-M120 PolarHBondContact O-N 2.92Å; E116-M516 VanDerWaalsContact CD-CE 3.44Å; E116-M516 HydrophobicContact CG-CB 4.5Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.91Å; E116-M516 HydrophobicContact CG-SD 3.55Å; E116-M516 VanDerWaalsContact CG-SD 3.55Å; E116-M516 VanDerWaalsContact OE2-CE 3.22Å; E116-M516 WeakPolarHBondContact OE2-CE 3.32Å
117I98.1Very high96.3Very high3 Ų330.6 Ų30.62%0.01516%0.159CC..Hα-helixtrans-70.3-43.8175.9-61.2-59.4000111.1V40 F42 V65 A68 I101 F112 S113 A114 S119 M120 V121V40-I117 HydrophobicContact CB-CG2 4.25Å; V40-I117 HydrophobicContact CG2-CG2 3.92Å; F42-I117 HydrophobicContact CE2-CD1 3.87Å; F42-I117 HydrophobicContact CZ-CD1 3.68Å; V65-I117 HydrophobicContact CB-CG2 4.28Å; V65-I117 HydrophobicContact CG1-CG1 4.27Å; V65-I117 HydrophobicContact CG1-CG2 3.86Å; V65-I117 HydrophobicContact CG2-CD1 4.38Å; A68-I117 HydrophobicContact CB-CB 4.07Å; A68-I117 HydrophobicContact CB-CG2 3.61Å; I101-I117 HydrophobicContact CD1-CB 4.45Å; I101-I117 HydrophobicContact CD1-CG1 3.75Å; F112-I117 HydrophobicContact CB-CD1 3.81Å; F112-I117 HydrophobicContact CB-CG1 4.05Å; F112-I117 HydrophobicContact CD2-CD1 4.23Å; F112-I117 HydrophobicContact CG-CD1 4.08Å; S113-I117 PolarHBondContact O-N 3.48Å; A114-I117 PolarHBondContact O-N 2.93Å; I117-S119 VanDerWaalsContact C-N 3.3Å; I117-S119 PolarHBondContact O-N 2.85Å; I117-M120 HydrophobicContact CD1-CE 4.25Å; I117-M120 HydrophobicContact CD1-SD 4.36Å; I117-M120 WeakPolarHBondContact O-CB 3.5Å; I117-M120 PolarHBondContact O-N 3.12Å; I117-V121 PolarHBondContact O-N 3.28Å
118S98.2Very high96.7Very high5 Ų528.6 Ų28.64%0.03514%0.136CC..Hα-helixtrans-64.4-34.8176.7-74.10000112.2A114 E115 M120 V121 L122A114-S118 WeakPolarHBondContact O-CB 3.24Å; A114-S118 PolarHBondContact O-N 3.17Å; A114-S118 PolarHBondContact O-OG 2.77Å; E115-S118 PolarHBondContact O-N 2.96Å; S118-M120 VanDerWaalsContact C-N 3.31Å; S118-M120 PolarHBondContact O-N 3.07Å; S118-V121 PolarHBondContact O-N 3.21Å; S118-L122 WeakPolarHBondContact O-CG 3.15Å; S118-L122 PolarHBondContact O-N 3.36Å
119S97.7Very high96.9Very high4 Ų423.3 Ų23.33%0.02811%0.111CC..Hα-helixtrans-64.7-36.3175.875.50000111.6E115 E116 I117 V121 L122 T123 A159 I162E115-S119 VanDerWaalsContact O-CB 3.3Å; E115-S119 WeakPolarHBondContact O-CB 3.11Å; E115-S119 PolarHBondContact O-N 3.28Å; E115-S119 PolarHBondContact O-OG 3.31Å; E116-S119 PolarHBondContact O-OG 3.16Å; I117-S119 VanDerWaalsContact C-N 3.3Å; I117-S119 PolarHBondContact O-N 2.85Å; S119-V121 VanDerWaalsContact C-N 3.33Å; S119-V121 PolarHBondContact O-N 3.02Å; S119-L122 CarbonylContact O-C 3.5Å; S119-L122 WeakPolarHBondContact O-CB 3.4Å; S119-L122 PolarHBondContact O-N 2.89Å; S119-T123 WeakPolarHBondContact O-CB 3.42Å; S119-T123 PolarHBondContact O-N 2.87Å; S119-T123 PolarHBondContact O-OG1 2.75Å; S119-A159 WeakPolarHBondContact CB-O 3.35Å; S119-I162 VanDerWaalsContact OG-CG2 3.26Å; S119-I162 WeakPolarHBondContact OG-CG2 3.31Å
120M97.9Very high96.9Very high9 Ų918.1 Ų18.14%0.0449%0.089CC..Hα-helixtrans-60.8-42.3173.9-64.6174.7-154.400111.6V40 F42 R47 I49 F112 E116 I117 S118 T123 K124V40-M120 HydrophobicContact CG1-CB 4.46Å; V40-M120 HydrophobicContact CG1-SD 3.59Å; V40-M120 VanDerWaalsContact CG1-SD 3.59Å; V40-M120 HydrophobicContact CG2-CB 4Å; F42-M120 HydrophobicContact CE1-CE 4.16Å; F42-M120 HydrophobicContact CE1-SD 4.12Å; F42-M120 HydrophobicContact CZ-CE 3.98Å; F42-M120 HydrophobicContact CZ-SD 3.83Å; R47-M120 PolarHBondContact NH1-SD 3.25Å; R47-M120 VanDerWaalsContact NH1-SD 3.37Å; I49-M120 HydrophobicContact CD1-CB 3.99Å; F112-M120 HydrophobicContact CD1-CE 3.8Å; F112-M120 HydrophobicContact CE1-CE 3.73Å; F112-M120 HydrophobicContact CG-CE 4.35Å; F112-M120 HydrophobicContact CZ-CE 4.24Å; E116-M120 WeakPolarHBondContact O-CE 3.45Å; E116-M120 VanDerWaalsContact O-CG 3.31Å; E116-M120 WeakPolarHBondContact O-CG 3.47Å; E116-M120 PolarHBondContact O-N 2.92Å; I117-M120 HydrophobicContact CD1-CE 4.25Å; I117-M120 HydrophobicContact CD1-SD 4.36Å; I117-M120 WeakPolarHBondContact O-CB 3.5Å; I117-M120 PolarHBondContact O-N 3.12Å; S118-M120 VanDerWaalsContact C-N 3.31Å; S118-M120 PolarHBondContact O-N 3.07Å; M120-T123 PolarHBondContact O-N 2.88Å; M120-K124 PolarHBondContact O-N 2.91Å
121V98.5Very high96.9Very high6 Ų620.4 Ų20.44%0.03611%0.112CC..Hα-helixtrans-63.9-43.6174.8-179.20000110.9L9 S14 V40 I117 S118 S119 T123 K124 M125L9-V121 HydrophobicContact CD1-CB 4.09Å; L9-V121 HydrophobicContact CD1-CG1 3.78Å; S14-V121 WeakPolarHBondContact OG-CG1 3.48Å; V40-V121 HydrophobicContact CG2-CG2 3.88Å; I117-V121 PolarHBondContact O-N 3.28Å; S118-V121 PolarHBondContact O-N 3.21Å; S119-V121 VanDerWaalsContact C-N 3.33Å; S119-V121 PolarHBondContact O-N 3.02Å; V121-T123 VanDerWaalsContact C-N 3.35Å; V121-T123 PolarHBondContact O-N 3.04Å; V121-K124 PolarHBondContact O-N 3.15Å; V121-M125 WeakPolarHBondContact O-CG 3.37Å; V121-M125 PolarHBondContact O-N 3.44Å
122L98.5Very high96.9Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-62.8-39.6176.1-69.3171.9000112.2I7 L9 S118 S119 K124 M125 K126 I142 A159 A163I7-L122 HydrophobicContact CB-CD2 4.46Å; I7-L122 HydrophobicContact CD1-CD2 4.07Å; I7-L122 HydrophobicContact CG2-CD2 3.85Å; L9-L122 HydrophobicContact CB-CD2 4.24Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.2Å; L9-L122 HydrophobicContact CD2-CD1 4.25Å; L9-L122 HydrophobicContact CD2-CD2 4.14Å; L9-L122 HydrophobicContact CD2-CG 4.18Å; L9-L122 HydrophobicContact CG-CD2 4.37Å; S118-L122 WeakPolarHBondContact O-CG 3.15Å; S118-L122 PolarHBondContact O-N 3.36Å; S119-L122 CarbonylContact O-C 3.5Å; S119-L122 WeakPolarHBondContact O-CB 3.4Å; S119-L122 PolarHBondContact O-N 2.89Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.93Å; L122-M125 PolarHBondContact O-N 2.96Å; L122-K126 WeakPolarHBondContact O-CB 3.44Å; L122-K126 PolarHBondContact O-N 3.06Å; L122-I142 HydrophobicContact CD1-CD1 3.89Å; L122-I142 HydrophobicContact CD2-CD1 3.98Å; L122-I142 HydrophobicContact CD2-CG1 4.38Å; L122-I142 HydrophobicContact CD2-CG2 4.31Å; L122-A159 HydrophobicContact CD1-CB 4.05Å; L122-A163 HydrophobicContact CB-CB 3.73Å
123T96.8Very high96.8Very high27 Ų2722.8 Ų22.817%0.16612%0.119CC..Hα-helixtrans-59.8-44.8173.1-61.60000110.5S119 M120 V121 M125 K126 E127S119-T123 WeakPolarHBondContact O-CB 3.42Å; S119-T123 PolarHBondContact O-N 2.87Å; S119-T123 PolarHBondContact O-OG1 2.75Å; M120-T123 PolarHBondContact O-N 2.88Å; V121-T123 VanDerWaalsContact C-N 3.35Å; V121-T123 PolarHBondContact O-N 3.04Å; T123-M125 VanDerWaalsContact C-N 3.31Å; T123-M125 PolarHBondContact O-N 2.91Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 2.82Å; T123-E127 HydrophobicContact CG2-CG 4.49Å; T123-E127 WeakPolarHBondContact O-CG 3.19Å; T123-E127 PolarHBondContact O-N 3.31Å
124K97.2Very high96.8Very high27 Ų2726 Ų2612%0.11715%0.153CC..Hα-helixtrans-61.6-38.8175.1-177.560.3176.5179.50112D30 T36 I49 M120 V121 L122 E127 V128D30-K124 IonicContact OD1-NZ 3.31Å; D30-K124 IonicContact OD2-NZ 3.36Å; D30-K124 PolarHBondContact OD2-NZ 2.77Å; T36-K124 HydrophobicContact CG2-CG 4.46Å; I49-K124 HydrophobicContact CB-CB 4.2Å; I49-K124 HydrophobicContact CB-CG 4.38Å; I49-K124 HydrophobicContact CG2-CB 3.59Å; I49-K124 HydrophobicContact CG2-CG 4.01Å; M120-K124 PolarHBondContact O-N 2.91Å; V121-K124 PolarHBondContact O-N 3.15Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.93Å; K124-E127 PolarHBondContact O-N 2.75Å; K124-V128 VanDerWaalsContact O-CG2 3.31Å; K124-V128 WeakPolarHBondContact O-CG2 3.26Å; K124-V128 PolarHBondContact O-N 2.78Å
125M98.3Very high96.7Very high1 Ų130.3 Ų30.31%0.00517%0.168CC..Hα-helixtrans-67.5-39.6177.6-66.3-54.794.600111.6I7 V16 T36 V121 L122 T123 V128 A129I7-M125 HydrophobicContact CD1-CB 4.17Å; I7-M125 HydrophobicContact CG1-CB 4.43Å; I7-M125 HydrophobicContact CG2-CB 4.04Å; I7-M125 HydrophobicContact CG2-CG 3.94Å; V16-M125 HydrophobicContact CB-CB 4.27Å; V16-M125 HydrophobicContact CB-SD 4.42Å; V16-M125 HydrophobicContact CG1-SD 4.29Å; T36-M125 HydrophobicContact CG2-CE 3.57Å; T36-M125 WeakPolarHBondContact OG1-CE 3.44Å; V121-M125 WeakPolarHBondContact O-CG 3.37Å; V121-M125 PolarHBondContact O-N 3.44Å; L122-M125 PolarHBondContact O-N 2.96Å; T123-M125 VanDerWaalsContact C-N 3.31Å; T123-M125 PolarHBondContact O-N 2.91Å; M125-V128 PolarHBondContact O-N 2.91Å; M125-A129 PolarHBondContact O-N 3.37Å; M125-A129 VanDerWaalsContact O-N 3.08Å
126K97.1Very high96.5Very high24 Ų2434.9 Ų34.910%0.10420%0.198CC..Hα-helixtrans-59.6-49.2171173.2-179173.5164.60111.1L122 T123 V128 A129 E130 V137 G164 L165L122-K126 WeakPolarHBondContact O-CB 3.44Å; L122-K126 PolarHBondContact O-N 3.06Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 2.82Å; K126-V128 VanDerWaalsContact C-N 3.33Å; K126-V128 PolarHBondContact O-N 3.01Å; K126-A129 CarbonylContact O-C 3.25Å; K126-A129 WeakPolarHBondContact O-CB 3.45Å; K126-A129 PolarHBondContact O-N 2.97Å; K126-A129 VanDerWaalsContact O-N 3.13Å; K126-E130 WeakPolarHBondContact CE-OE1 3.42Å; K126-E130 HydrophobicContact CG-CG 4.19Å; K126-E130 VanDerWaalsContact O-CG 3.32Å; K126-E130 WeakPolarHBondContact O-CG 3.48Å; K126-E130 PolarHBondContact O-N 2.74Å; K126-V137 WeakPolarHBondContact CE-O 3.43Å; K126-V137 HydrophobicContact CG-CB 4.49Å; K126-V137 PolarHBondContact NZ-O 2.92Å; K126-G164 PolarHBondContact NZ-O 3.13Å; K126-L165 HydrophobicContact CB-CD2 4.42Å; K126-L165 HydrophobicContact CD-CD2 3.84Å; K126-L165 HydrophobicContact CD-CG 4.22Å; K126-L165 HydrophobicContact CG-CD2 4.23Å
127E95.2Very high96.5Very high35 Ų3534.2 Ų34.216%0.16420%0.195CC..Hα-helixtrans-59.2-42.2178.4-72.9-176.8143.800112.5T123 K124 A129 E130 S131 R531T123-E127 HydrophobicContact CG2-CG 4.49Å; T123-E127 WeakPolarHBondContact O-CG 3.19Å; T123-E127 PolarHBondContact O-N 3.31Å; K124-E127 PolarHBondContact O-N 2.75Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.22Å; E127-E130 PolarHBondContact O-N 2.9Å; E127-S131 WeakPolarHBondContact O-CB 3.36Å; E127-S131 PolarHBondContact O-N 3.31Å; E127-R531 IonicContact OE1-CZ 2.88Å; E127-R531 IonicContact OE1-NH2 3.56Å; E127-R531 PolarHBondContact OE1-NH2 3.48Å; E127-R531 IonicContact OE2-NH2 3.05Å
128V97.3Very high96.4Very high9 Ų936.6 Ų36.66%0.05521%0.212CC..Hα-helixtrans-59-45.7175.2167.50000110.4V16 I27 N29 K124 M125 K126 Y132V16-V128 HydrophobicContact CG1-CB 4.35Å; V16-V128 HydrophobicContact CG1-CG1 3.91Å; I27-V128 HydrophobicContact CB-CG1 4.27Å; I27-V128 HydrophobicContact CG2-CG1 3.68Å; N29-V128 HydrophobicContact CB-CG1 4.39Å; N29-V128 HydrophobicContact CB-CG2 3.77Å; K124-V128 VanDerWaalsContact O-CG2 3.31Å; K124-V128 WeakPolarHBondContact O-CG2 3.26Å; K124-V128 PolarHBondContact O-N 2.78Å; M125-V128 PolarHBondContact O-N 2.91Å; K126-V128 VanDerWaalsContact C-N 3.33Å; K126-V128 PolarHBondContact O-N 3.01Å; V128-Y132 PolarHBondContact O-N 2.91Å; V128-Y132 VanDerWaalsContact O-N 3.16Å
129A97.3Very high96.3Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-65.8-44.2175.800000112.5I5 V16 I27 M125 K126 E127 S131 Y132 L133 V137I5-A129 HydrophobicContact CD1-CB 3.98Å; I5-A129 HydrophobicContact CG2-CB 3.94Å; V16-A129 HydrophobicContact CG2-CB 4.15Å; I27-A129 HydrophobicContact CD1-CB 3.89Å; M125-A129 PolarHBondContact O-N 3.37Å; M125-A129 VanDerWaalsContact O-N 3.08Å; K126-A129 CarbonylContact O-C 3.25Å; K126-A129 WeakPolarHBondContact O-CB 3.45Å; K126-A129 PolarHBondContact O-N 2.97Å; K126-A129 VanDerWaalsContact O-N 3.13Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.22Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.13Å; A129-Y132 PolarHBondContact O-N 3.44Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 WeakPolarHBondContact O-CG 3.26Å; A129-L133 PolarHBondContact O-N 3.36Å; A129-V137 HydrophobicContact CB-CG2 4.39Å
130E95.9Very high96.4Very high35 Ų3537.7 Ų37.716%0.16422%0.217CC..Hα-helixtrans-61.3-41.2178.9-71.3-177.6155.100111.8K126 E127 Y132 L133 G134 R135 T136 V137K126-E130 WeakPolarHBondContact CE-OE1 3.42Å; K126-E130 HydrophobicContact CG-CG 4.19Å; K126-E130 VanDerWaalsContact O-CG 3.32Å; K126-E130 WeakPolarHBondContact O-CG 3.48Å; K126-E130 PolarHBondContact O-N 2.74Å; E127-E130 PolarHBondContact O-N 2.9Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; E130-Y132 PolarHBondContact O-N 3.37Å; E130-L133 PolarHBondContact O-N 3.3Å; E130-G134 WeakPolarHBondContact O-CA 3.07Å; E130-G134 PolarHBondContact O-N 3.19Å; E130-R135 WeakPolarHBondContact CA-O 3.5Å; E130-R135 WeakPolarHBondContact CB-O 3.24Å; E130-R135 WeakPolarHBondContact CG-O 3.48Å; E130-R135 PolarHBondContact O-N 3.24Å; E130-T136 VanDerWaalsContact OE1-CA 3.28Å; E130-T136 WeakPolarHBondContact OE1-CA 3.33Å; E130-T136 VanDerWaalsContact OE1-CG2 3.32Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.35Å; E130-V137 HydrophobicContact CG-CB 4Å; E130-V137 HydrophobicContact CG-CG2 3.83Å; E130-V137 PolarHBondContact OE1-N 2.97Å
131S95Very high96.4Very high103 Ų10337.3 Ų37.372%0.7222%0.215SC*.Hα-helixtrans-62.4-40175.3-1720000112.1E127 A129E127-S131 WeakPolarHBondContact O-CB 3.36Å; E127-S131 PolarHBondContact O-N 3.31Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.13Å
132Y96Very high96.4Very high117 Ų11737 Ų3746%0.45921%0.213SC..Hα-helixtrans-70.5-39.7177.1-179.6-105.4000112.5V18 E25 I27 V128 A129 E130V18-Y132 HydrophobicContact CG1-CE1 4.28Å; E25-Y132 PolarHBondContact OE2-OH 2.92Å; I27-Y132 HydrophobicContact CD1-CD1 3.87Å; I27-Y132 HydrophobicContact CD1-CG 4.3Å; I27-Y132 HydrophobicContact CG1-CD1 4.01Å; I27-Y132 HydrophobicContact CG1-CE1 4.46Å; I27-Y132 HydrophobicContact CG1-CG 4.3Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.26Å; I27-Y132 HydrophobicContact CG2-CD2 4.08Å; I27-Y132 HydrophobicContact CG2-CG 3.69Å; V128-Y132 PolarHBondContact O-N 2.91Å; V128-Y132 VanDerWaalsContact O-N 3.16Å; A129-Y132 PolarHBondContact O-N 3.44Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; E130-Y132 PolarHBondContact O-N 3.37Å
133L94.8Very high96.4Very high29 Ų2937 Ų3715%0.15221%0.213CC..Hα-helixtrans-84.7-16.6-174.6-63.4177.5000113.9I5 V18 A129 E130 R135 V137I5-L133 HydrophobicContact CG2-CD1 4.43Å; V18-L133 HydrophobicContact CG1-CD2 4.36Å; V18-L133 HydrophobicContact CG2-CD2 4.45Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 WeakPolarHBondContact O-CG 3.26Å; A129-L133 PolarHBondContact O-N 3.36Å; E130-L133 PolarHBondContact O-N 3.3Å; L133-R135 HydrophobicContact CB-CG 3.97Å; L133-R135 PolarHBondContact O-N 3.35Å; L133-V137 HydrophobicContact CD1-CG2 3.63Å
134G94.2Very high96.3Very high73 Ų7335.7 Ų35.775%0.75321%0.205SC*.THydrogen-bonded Turntrans65.723.8-175.200000113.8E130E130-G134 WeakPolarHBondContact O-CA 3.07Å; E130-G134 PolarHBondContact O-N 3.19Å
135R93.6Very high96.1Very high93 Ų9334.4 Ų34.435%0.35120%0.2SC..SBendtrans-158.1161.8-177.866.9-175.1-178.7170.52.2111.6M1 N3 E130 L133M1-R135 PolarHBondContact O-NH1 2.79Å; M1-R135 PolarHBondContact O-NH2 3.34Å; N3-R135 VanDerWaalsContact CB-NH2 3.29Å; N3-R135 PolarHBondContact ND2-NH2 2.67Å; N3-R135 VanDerWaalsContact ND2-NH2 3.14Å; N3-R135 PolarHBondContact OD1-NH2 2.69Å; E130-R135 WeakPolarHBondContact CA-O 3.5Å; E130-R135 WeakPolarHBondContact CB-O 3.24Å; E130-R135 WeakPolarHBondContact CG-O 3.48Å; E130-R135 PolarHBondContact O-N 3.24Å; L133-R135 HydrophobicContact CB-CG 3.97Å; L133-R135 PolarHBondContact O-N 3.35Å
136T93.5Very high95.7Very high115 Ų11534.4 Ų34.471%0.70620%0.2SC*.  trans-66.4141.5176-52.70000112.4E130E130-T136 VanDerWaalsContact OE1-CA 3.28Å; E130-T136 WeakPolarHBondContact OE1-CA 3.33Å; E130-T136 VanDerWaalsContact OE1-CG2 3.32Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.35Å
137V95.6Very high95.1Very high4 Ų435.2 Ų35.22%0.02420%0.202CC..  trans-112.8123176.3177.10000109.5I5 K126 A129 E130 L133 L165I5-V137 HydrophobicContact CB-CG1 4.44Å; I5-V137 HydrophobicContact CD1-CG1 3.78Å; I5-V137 HydrophobicContact CG1-CG1 3.78Å; I5-V137 HydrophobicContact CG2-CG1 3.92Å; I5-V137 HydrophobicContact CG2-CG2 4.36Å; K126-V137 WeakPolarHBondContact CE-O 3.43Å; K126-V137 HydrophobicContact CG-CB 4.49Å; K126-V137 PolarHBondContact NZ-O 2.92Å; A129-V137 HydrophobicContact CB-CG2 4.39Å; E130-V137 HydrophobicContact CG-CB 4Å; E130-V137 HydrophobicContact CG-CG2 3.83Å; E130-V137 PolarHBondContact OE1-N 2.97Å; L133-V137 HydrophobicContact CD1-CG2 3.63Å; V137-L165 HydrophobicContact CG1-CD2 4.44Å
138S95.4Very high94.6Very high53 Ų5333.6 Ų33.637%0.37120%0.195SC..  trans-104-29.5-179.1460000113.7L165 N166S138-L165 CarbonylContact O-C 3.55Å; S138-L165 WeakPolarHBondContact O-CA 3.29Å; S138-N166 PolarHBondContact O-N 3.12Å
139D97.4Very high93.9Very high32 Ų3234.1 Ų34.117%0.17120%0.197CC..EExtended strand (participates in β ladder)trans-118.5138.2-166.1-59.9-71.4000111A4 I5 N166 L168A4-D139 VanDerWaalsContact CA-O 3.28Å; A4-D139 WeakPolarHBondContact CA-O 3.09Å; A4-D139 HydrophobicContact CB-CB 3.84Å; I5-D139 PolarHBondContact N-O 2.97Å; I5-D139 VanDerWaalsContact N-O 3.08Å; D139-N166 WeakPolarHBondContact CA-O 3.48Å; D139-N166 WeakPolarHBondContact OD1-CB 3.36Å; D139-N166 PolarHBondContact OD1-ND2 2.76Å; D139-L168 HydrophobicContact CB-CD1 3.91Å; D139-L168 HydrophobicContact CB-CD2 4.3Å; D139-L168 HydrophobicContact CB-CG 4.02Å
140A98.2Very high93.1Very high0 Ų034.5 Ų34.50%020%0.2CC..EExtended strand (participates in β ladder)trans-143.7151.4179.600000113.1I5 I7 I142 L165 N166 V167 L168I5-A140 HydrophobicContact CG1-CB 3.95Å; I5-A140 CarbonylContact O-C 3.58Å; I5-A140 VanDerWaalsContact O-CA 3.25Å; I5-A140 WeakPolarHBondContact O-CA 3.29Å; I7-A140 HydrophobicContact CD1-CB 4.19Å; A140-I142 HydrophobicContact CB-CG1 4.31Å; A140-L165 HydrophobicContact CB-CB 4.33Å; A140-L165 HydrophobicContact CB-CD1 4Å; A140-L165 HydrophobicContact CB-CD2 4.13Å; A140-L165 HydrophobicContact CB-CG 4.39Å; A140-N166 PolarHBondContact N-O 2.82Å; A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.34Å; A140-L168 PolarHBondContact O-N 3.33Å
141V98.2Very high92.5Very high0 Ų033.9 Ų33.90%020%0.199CC..EExtended strand (participates in β ladder)trans-103.5127.6158.61740000107.3I5 I7 L168 R169 I171 A371 Q374 A375 L378I5-V141 PolarHBondContact O-N 3.16Å; I7-V141 PolarHBondContact N-O 2.97Å; V141-L168 HydrophobicContact CG2-CB 4.37Å; V141-R169 WeakPolarHBondContact CA-O 3.46Å; V141-R169 HydrophobicContact CG1-CB 4.21Å; V141-R169 HydrophobicContact CG2-CB 4.04Å; V141-I171 HydrophobicContact CG1-CB 4.05Å; V141-I171 HydrophobicContact CG1-CG2 3.56Å; V141-A371 HydrophobicContact CG1-CB 4.24Å; V141-Q374 HydrophobicContact CG1-CB 4.33Å; V141-Q374 HydrophobicContact CG1-CG 4.33Å; V141-Q374 HydrophobicContact CG2-CG 4.37Å; V141-A375 HydrophobicContact CB-CB 4.14Å; V141-A375 HydrophobicContact CG2-CB 3.74Å; V141-L378 HydrophobicContact CG2-CD1 3.96Å
142I98.6Very high92.2Very high0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans-116.2136.8-176.8-58.3175.5000108.9I7 L9 L122 A140 T156 V167 R169 I170 I171I7-I142 WeakPolarHBondContact O-CA 3.19Å; L9-I142 HydrophobicContact CB-CG2 4.15Å; L122-I142 HydrophobicContact CD1-CD1 3.89Å; L122-I142 HydrophobicContact CD2-CD1 3.98Å; L122-I142 HydrophobicContact CD2-CG1 4.38Å; L122-I142 HydrophobicContact CD2-CG2 4.31Å; A140-I142 HydrophobicContact CB-CG1 4.31Å; I142-T156 HydrophobicContact CG2-CG2 3.87Å; I142-V167 HydrophobicContact CD1-CG1 4.28Å; I142-V167 HydrophobicContact CD1-CG2 3.75Å; I142-V167 HydrophobicContact CG1-CG1 4.38Å; I142-R169 PolarHBondContact N-O 2.95Å; I142-R169 VanDerWaalsContact N-O 3.13Å; I142-I170 HydrophobicContact CB-CD1 4.12Å; I142-I170 WeakPolarHBondContact O-CA 3.25Å; I142-I171 PolarHBondContact O-N 3.36Å
143T98.2Very high92Very high0 Ų023.8 Ų23.80%014%0.144CC..EExtended strand (participates in β ladder)trans-86.5150.8-179.769.30000112.9I7 D8 L9 I171 V367 A371I7-T143 WeakPolarHBondContact O-CG2 3.32Å; I7-T143 PolarHBondContact O-N 2.66Å; D8-T143 VanDerWaalsContact CA-OG1 3.28Å; D8-T143 WeakPolarHBondContact CA-OG1 3.48Å; D8-T143 PolarHBondContact OD1-OG1 3.13Å; L9-T143 PolarHBondContact N-OG1 2.78Å; T143-I171 CarbonylContact C-O 3.57Å; T143-I171 VanDerWaalsContact CA-O 3.27Å; T143-I171 WeakPolarHBondContact CA-O 3.49Å; T143-I171 HydrophobicContact CG2-CG2 3.75Å; T143-V367 HydrophobicContact CG2-CG1 3.44Å; T143-V367 VanDerWaalsContact CG2-CG1 3.44Å; T143-A371 HydrophobicContact CG2-CB 3.77Å
144V95.4Very high91.6Very high0 Ų023.1 Ų23.10%014%0.14CC..EExtended strand (participates in β ladder)trans-139.4154.2170-66.30000110.4F148 R153 T156 I170 I171 N172 E173V144-F148 HydrophobicContact CB-CB 4.46Å; V144-F148 HydrophobicContact CB-CD2 3.7Å; V144-F148 HydrophobicContact CB-CE2 4.31Å; V144-F148 HydrophobicContact CB-CG 4.28Å; V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 4.24Å; V144-R153 HydrophobicContact CG2-CG 4.31Å; V144-T156 HydrophobicContact CG1-CG2 3.76Å; V144-I170 HydrophobicContact CB-CG2 4.14Å; V144-I170 HydrophobicContact CG1-CG2 3.7Å; V144-I170 HydrophobicContact CG2-CG2 3.31Å; V144-I171 PolarHBondContact N-O 3.31Å; V144-N172 CarbonylContact O-C 3.58Å; V144-N172 VanDerWaalsContact O-CA 3.32Å; V144-N172 WeakPolarHBondContact O-CA 3.21Å; V144-E173 WeakPolarHBondContact O-CG 3.23Å; V144-E173 PolarHBondContact O-N 2.88Å
145P93.2Very high91.5Very high0 Ų019.8 Ų19.80%011%0.106CC..  trans-54.7142.2170.5-28.538.6000110.7Y147 F148 E173 T202 D204P145-Y147 PolarHBondContact O-N 3.3Å; P145-F148 HydrophobicContact CB-CD1 3.63Å; P145-F148 HydrophobicContact CB-CE1 4.02Å; P145-F148 HydrophobicContact CB-CG 4.19Å; P145-F148 HydrophobicContact CG-CD1 3.58Å; P145-F148 HydrophobicContact CG-CE1 3.45Å; P145-F148 VanDerWaalsContact CG-CE1 3.45Å; P145-F148 HydrophobicContact CG-CE2 4.47Å; P145-F148 HydrophobicContact CG-CG 4.19Å; P145-F148 HydrophobicContact CG-CZ 3.94Å; P145-F148 WeakPolarHBondContact O-CB 3.48Å; P145-F148 PolarHBondContact O-N 3.05Å; P145-E173 WeakPolarHBondContact CD-OE1 3.4Å; P145-E173 VanDerWaalsContact N-OE1 3.12Å; P145-T202 HydrophobicContact CB-CG2 4.23Å; P145-T202 HydrophobicContact CG-CG2 3.63Å; P145-D204 WeakPolarHBondContact CA-OD2 3.21Å; P145-D204 WeakPolarHBondContact CB-OD2 3.5Å
146A89.7Confident91.5Very high0 Ų015.5 Ų15.50%09%0.09CC..THydrogen-bonded Turntrans-60.2-36.4-178.600000111.2F148 R153 N172 P174 D204 T220 P396A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 3.36Å; A146-R153 PolarHBondContact O-NH2 2.66Å; A146-N172 HydrophobicContact CB-CB 4.19Å; A146-P174 HydrophobicContact CB-CG 3.96Å; A146-D204 HydrophobicContact CB-CB 4.3Å; A146-D204 PolarHBondContact N-OD1 2.77Å; A146-D204 PolarHBondContact N-OD2 3.25Å; A146-T220 HydrophobicContact CB-CG2 4.46Å; A146-T220 WeakPolarHBondContact CB-OG1 3.2Å; A146-P396 WeakPolarHBondContact O-CB 3.28Å; A146-P396 WeakPolarHBondContact O-CG 3.47Å
147Y84.2Confident91.5Very high41 Ų4112.8 Ų12.816%0.1617%0.068CC..THydrogen-bonded Turntrans-85.211.6179.9-141.2-113.3000114.7P145 D204 T224 K317 P396 L397P145-Y147 PolarHBondContact O-N 3.3Å; Y147-D204 WeakPolarHBondContact CB-OD1 3.43Å; Y147-D204 PolarHBondContact N-OD1 3.46Å; Y147-D204 VanDerWaalsContact N-OD1 3.11Å; Y147-T224 HydrophobicContact CD1-CG2 4.44Å; Y147-T224 WeakPolarHBondContact O-CG2 3.21Å; Y147-K317 PolarHBondContact OH-NZ 2.91Å; Y147-P396 HydrophobicContact CD2-CB 4.03Å; Y147-P396 HydrophobicContact CE2-CB 4.5Å; Y147-L397 HydrophobicContact CE1-CD2 4.26Å; Y147-L397 HydrophobicContact CE2-CD2 4.11Å; Y147-L397 WeakPolarHBondContact OH-CD2 3Å
148F86.1Confident91.4Very high1 Ų112.9 Ų12.90%0.0047%0.069CC..  trans-63.9134.7168.7-96.119.8000111.4K69 I72 V144 P145 A146 Q152 R153 T224K69-F148 HydrophobicContact CG-CZ 3.96Å; I72-F148 HydrophobicContact CG2-CE2 4Å; I72-F148 HydrophobicContact CG2-CZ 3.99Å; V144-F148 HydrophobicContact CB-CB 4.46Å; V144-F148 HydrophobicContact CB-CD2 3.7Å; V144-F148 HydrophobicContact CB-CE2 4.31Å; V144-F148 HydrophobicContact CB-CG 4.28Å; V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 4.24Å; P145-F148 HydrophobicContact CB-CD1 3.63Å; P145-F148 HydrophobicContact CB-CE1 4.02Å; P145-F148 HydrophobicContact CB-CG 4.19Å; P145-F148 HydrophobicContact CG-CD1 3.58Å; P145-F148 HydrophobicContact CG-CE1 3.45Å; P145-F148 VanDerWaalsContact CG-CE1 3.45Å; P145-F148 HydrophobicContact CG-CE2 4.47Å; P145-F148 HydrophobicContact CG-CG 4.19Å; P145-F148 HydrophobicContact CG-CZ 3.94Å; P145-F148 WeakPolarHBondContact O-CB 3.48Å; P145-F148 PolarHBondContact O-N 3.05Å; A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 3.36Å; F148-Q152 HydrophobicContact CB-CB 4.05Å; F148-Q152 HydrophobicContact CD1-CB 4.19Å; F148-Q152 HydrophobicContact CD2-CB 3.39Å; F148-Q152 HydrophobicContact CD2-CG 4.46Å; F148-Q152 HydrophobicContact CE1-CB 4.47Å; F148-Q152 HydrophobicContact CE2-CB 3.74Å; F148-Q152 HydrophobicContact CG-CB 3.63Å; F148-Q152 HydrophobicContact CG-CG 4.44Å; F148-Q152 HydrophobicContact CZ-CB 4.26Å; F148-R153 HydrophobicContact CB-CG 4.05Å; F148-R153 PolarHBondContact O-NE 3.15Å; F148-T224 HydrophobicContact CD1-CG2 4.06Å
149N81.7Confident91.5Very high21 Ų2110.4 Ų10.411%0.1125%0.051CC..  trans-76.5173.8172.36527.3000112.4S151 Q152 R153 E442N149-S151 VanDerWaalsContact C-N 3.34Å; N149-S151 PolarHBondContact O-N 3.47Å; N149-S151 PolarHBondContact OD1-N 3.31Å; N149-S151 PolarHBondContact OD1-OG 3.15Å; N149-Q152 VanDerWaalsContact N-OE1 3.11Å; N149-Q152 PolarHBondContact O-N 3.44Å; N149-Q152 WeakPolarHBondContact OD1-CB 3.44Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.45Å; N149-Q152 PolarHBondContact OD1-N 3.45Å; N149-Q152 PolarHBondContact OD1-OE1 3.49Å; N149-R153 WeakPolarHBondContact O-CG 3.3Å; N149-R153 PolarHBondContact O-N 3.18Å; N149-E442 WeakPolarHBondContact CA-OE1 3.45Å; N149-E442 WeakPolarHBondContact CB-OE1 3.28Å; N149-E442 WeakPolarHBondContact CB-OE2 3.31Å
150D80.6Confident91.5Very high8 Ų88.9 Ų8.94%0.0434%0.043CC..Hα-helixtrans-54.5-44.7178.5-177.284.5000112.9Q152 R153 Q154 L454 L484D150-Q152 PolarHBondContact O-N 2.65Å; D150-R153 PolarHBondContact O-N 3.06Å; D150-Q154 VanDerWaalsContact O-CB 3.23Å; D150-Q154 WeakPolarHBondContact O-CB 3.31Å; D150-Q154 PolarHBondContact O-N 2.9Å; D150-L454 HydrophobicContact CB-CD1 4.34Å; D150-L454 HydrophobicContact CB-CD2 4.16Å; D150-L484 PolarHBondContact OD1-N 3.05Å; D150-L484 VanDerWaalsContact OD1-N 3.12Å
151S83.9Confident91.3Very high21 Ų2110.8 Ų10.815%0.1476%0.059CC..Hα-helixtrans-66.3-37.3-178.263.10000112.8G73 N149 A155G73-S151 PolarHBondContact O-OG 3.34Å; N149-S151 VanDerWaalsContact C-N 3.34Å; N149-S151 PolarHBondContact O-N 3.47Å; N149-S151 PolarHBondContact OD1-N 3.31Å; N149-S151 PolarHBondContact OD1-OG 3.15Å; S151-A155 WeakPolarHBondContact O-CB 3.3Å; S151-A155 PolarHBondContact O-N 2.84Å
152Q88.8Confident91.1Very high3 Ų311 Ų111%0.0146%0.06CC..Hα-helixtrans-70.7-44.6177.3-67.7173.3-58.700112.2I72 F148 N149 D150 Q154 A155 T156I72-Q152 WeakPolarHBondContact O-CG 3.43Å; F148-Q152 HydrophobicContact CB-CB 4.05Å; F148-Q152 HydrophobicContact CD1-CB 4.19Å; F148-Q152 HydrophobicContact CD2-CB 3.39Å; F148-Q152 HydrophobicContact CD2-CG 4.46Å; F148-Q152 HydrophobicContact CE1-CB 4.47Å; F148-Q152 HydrophobicContact CE2-CB 3.74Å; F148-Q152 HydrophobicContact CG-CB 3.63Å; F148-Q152 HydrophobicContact CG-CG 4.44Å; F148-Q152 HydrophobicContact CZ-CB 4.26Å; N149-Q152 VanDerWaalsContact N-OE1 3.11Å; N149-Q152 PolarHBondContact O-N 3.44Å; N149-Q152 WeakPolarHBondContact OD1-CB 3.44Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.45Å; N149-Q152 PolarHBondContact OD1-N 3.45Å; N149-Q152 PolarHBondContact OD1-OE1 3.49Å; D150-Q152 PolarHBondContact O-N 2.65Å; Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 2.8Å; Q152-A155 PolarHBondContact O-N 2.9Å; Q152-T156 WeakPolarHBondContact O-CB 3.35Å; Q152-T156 PolarHBondContact O-N 3.18Å; Q152-T156 PolarHBondContact O-OG1 3.12Å
153R89.9Confident91Very high6 Ų611.3 Ų11.32%0.0236%0.063CC..Hα-helixtrans-56.6-47.3174.2-71.9172.9-179.2-78.9-10.8111V144 A146 F148 N149 D150 T156 K157 N172V144-R153 HydrophobicContact CG2-CG 4.31Å; A146-R153 PolarHBondContact O-NH2 2.66Å; F148-R153 HydrophobicContact CB-CG 4.05Å; F148-R153 PolarHBondContact O-NE 3.15Å; N149-R153 WeakPolarHBondContact O-CG 3.3Å; N149-R153 PolarHBondContact O-N 3.18Å; D150-R153 PolarHBondContact O-N 3.06Å; R153-T156 PolarHBondContact O-N 3.43Å; R153-K157 PolarHBondContact O-N 2.92Å; R153-N172 VanDerWaalsContact CZ-OD1 3.23Å; R153-N172 PolarHBondContact NH1-OD1 2.99Å; R153-N172 PolarHBondContact NH2-OD1 2.77Å
154Q87.2Confident90.8Very high15 Ų1513.2 Ų13.27%0.078%0.082CC..Hα-helixtrans-69.5-42.7-178.3-173.95981.600112.7D150 Q152 T156 K157 D158 R507D150-Q154 VanDerWaalsContact O-CB 3.23Å; D150-Q154 WeakPolarHBondContact O-CB 3.31Å; D150-Q154 PolarHBondContact O-N 2.9Å; Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 2.8Å; Q154-T156 PolarHBondContact O-N 2.76Å; Q154-K157 WeakPolarHBondContact O-CB 3.41Å; Q154-K157 PolarHBondContact O-N 3.4Å; Q154-D158 PolarHBondContact NE2-OD1 2.92Å; Q154-D158 WeakPolarHBondContact O-CB 3.41Å; Q154-D158 PolarHBondContact O-N 3.32Å; Q154-R507 VanDerWaalsContact CG-NE 3.33Å; Q154-R507 VanDerWaalsContact OE1-NH1 3.09Å
155A91.8Very high90.9Very high3 Ų313.5 Ų13.53%0.0258%0.084CC..Hα-helixtrans-60.9-34.6174.600000111.8I72 E115 S151 Q152 D158 A159I72-A155 HydrophobicContact CD1-CB 4.34Å; I72-A155 HydrophobicContact CG1-CB 3.67Å; E115-A155 HydrophobicContact CG-CB 3.8Å; E115-A155 WeakPolarHBondContact CG-O 3.33Å; E115-A155 WeakPolarHBondContact OE1-CB 3.34Å; S151-A155 WeakPolarHBondContact O-CB 3.3Å; S151-A155 PolarHBondContact O-N 2.84Å; Q152-A155 PolarHBondContact O-N 2.9Å; A155-D158 PolarHBondContact O-N 2.97Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.78Å
156T94.7Very high91.1Very high2 Ų218 Ų181%0.01211%0.108CC..Hα-helixtrans-70.1-40.3175.3-54.70000111.4L9 I142 V144 Q152 R153 Q154 A159 G160 I170L9-T156 HydrophobicContact CD2-CG2 4.08Å; I142-T156 HydrophobicContact CG2-CG2 3.87Å; V144-T156 HydrophobicContact CG1-CG2 3.76Å; Q152-T156 WeakPolarHBondContact O-CB 3.35Å; Q152-T156 PolarHBondContact O-N 3.18Å; Q152-T156 PolarHBondContact O-OG1 3.12Å; R153-T156 PolarHBondContact O-N 3.43Å; Q154-T156 PolarHBondContact O-N 2.76Å; T156-A159 WeakPolarHBondContact O-CB 3.5Å; T156-A159 PolarHBondContact O-N 3.43Å; T156-G160 PolarHBondContact O-N 3.1Å; T156-I170 HydrophobicContact CG2-CD1 4.4Å
157K93.4Very high91.4Very high58 Ų5818.6 Ų18.625%0.25211%0.111SC..Hα-helixtrans-62.9-41.7172.4-173.9173.1-178.6175.30111.9R153 Q154 A159 G160 A161 V167 I170 I483R153-K157 PolarHBondContact O-N 2.92Å; Q154-K157 WeakPolarHBondContact O-CB 3.41Å; Q154-K157 PolarHBondContact O-N 3.4Å; K157-A159 VanDerWaalsContact C-N 3.35Å; K157-G160 PolarHBondContact O-N 3.24Å; K157-A161 PolarHBondContact O-N 3.42Å; K157-V167 HydrophobicContact CG-CB 4.16Å; K157-V167 HydrophobicContact CG-CG1 4.34Å; K157-V167 HydrophobicContact CG-CG2 4.43Å; K157-I170 HydrophobicContact CB-CD1 4.18Å; K157-I170 HydrophobicContact CB-CG1 4.17Å; K157-I483 HydrophobicContact CD-CD1 3.88Å
158D92.9Very high91.9Very high7 Ų719.1 Ų19.14%0.03712%0.117CC..Hα-helixtrans-64.5-39.8176.3-65.7-10.2000110.3Q154 A155 G160 A161 I162 R507 I513Q154-D158 PolarHBondContact NE2-OD1 2.92Å; Q154-D158 WeakPolarHBondContact O-CB 3.41Å; Q154-D158 PolarHBondContact O-N 3.32Å; A155-D158 PolarHBondContact O-N 2.97Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.97Å; D158-A161 WeakPolarHBondContact O-CB 3.26Å; D158-A161 PolarHBondContact O-N 2.99Å; D158-A161 VanDerWaalsContact O-N 3.16Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.47Å; D158-I162 PolarHBondContact O-N 2.81Å; D158-R507 IonicContact OD1-CZ 3.42Å; D158-R507 IonicContact OD1-NE 3.62Å; D158-R507 IonicContact OD1-NH2 3.49Å; D158-R507 PolarHBondContact OD1-NH2 2.69Å; D158-R507 IonicContact OD2-CZ 3.27Å; D158-R507 IonicContact OD2-NE 3.47Å; D158-R507 PolarHBondContact OD2-NE 2.86Å; D158-R507 IonicContact OD2-NH2 2.69Å; D158-R507 PolarHBondContact OD2-NH2 2.83Å; D158-I513 HydrophobicContact CB-CD1 4.21Å
159A96.8Very high92.3Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-59.6-39.2172.100000112.7I72 E115 S119 L122 A155 T156 K157 I162 A163I72-A159 HydrophobicContact CD1-CB 4.48Å; E115-A159 HydrophobicContact CB-CB 4.2Å; E115-A159 WeakPolarHBondContact O-CB 3.47Å; S119-A159 WeakPolarHBondContact CB-O 3.35Å; L122-A159 HydrophobicContact CD1-CB 4.05Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.78Å; T156-A159 WeakPolarHBondContact O-CB 3.5Å; T156-A159 PolarHBondContact O-N 3.43Å; K157-A159 VanDerWaalsContact C-N 3.35Å; A159-I162 PolarHBondContact O-N 2.97Å; A159-A163 PolarHBondContact O-N 3.39Å
160G97.1Very high93Very high0 Ų020.9 Ų20.90%012%0.122CC..Hα-helixtrans-62.7-43.5172.600000112.9T156 K157 D158 I162 A163 G164 L165T156-G160 PolarHBondContact O-N 3.1Å; K157-G160 PolarHBondContact O-N 3.24Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.97Å; G160-I162 PolarHBondContact O-N 3.44Å; G160-A163 WeakPolarHBondContact O-CB 3.3Å; G160-A163 PolarHBondContact O-N 3.28Å; G160-A163 VanDerWaalsContact O-N 3.16Å; G160-G164 PolarHBondContact O-N 3.42Å; G160-L165 CarbonylContact C-O 3.55Å; G160-L165 WeakPolarHBondContact O-CB 3.16Å; G160-L165 PolarHBondContact O-N 2.88Å
161A94.3Very high93.7Very high40 Ų4020.6 Ų20.633%0.33112%0.121SC..Hα-helixtrans-61.8-43.1175.200000111.9K157 D158 A163 G164 I513K157-A161 PolarHBondContact O-N 3.42Å; D158-A161 WeakPolarHBondContact O-CB 3.26Å; D158-A161 PolarHBondContact O-N 2.99Å; D158-A161 VanDerWaalsContact O-N 3.16Å; A161-A163 PolarHBondContact O-N 2.95Å; A161-G164 PolarHBondContact O-N 3.01Å; A161-I513 HydrophobicContact CB-CG2 4.45Å
162I95.3Very high94.2Very high4 Ų419.8 Ų19.82%0.02111%0.114CC..Hα-helixtrans-61.4-34.3175.6-63.4162.6000111.3E115 S119 D158 A159 G160 G164 L508 I513 M516 A520E115-I162 HydrophobicContact CB-CD1 4.09Å; S119-I162 VanDerWaalsContact OG-CG2 3.26Å; S119-I162 WeakPolarHBondContact OG-CG2 3.31Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.47Å; D158-I162 PolarHBondContact O-N 2.81Å; A159-I162 PolarHBondContact O-N 2.97Å; G160-I162 PolarHBondContact O-N 3.44Å; I162-G164 PolarHBondContact O-N 3.41Å; I162-L508 HydrophobicContact CD1-CD1 3.96Å; I162-I513 HydrophobicContact CG1-CG2 4.34Å; I162-M516 HydrophobicContact CD1-CB 3.95Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.74Å; I162-M516 HydrophobicContact CG1-CB 3.91Å; I162-M516 HydrophobicContact CG2-CB 4.11Å; I162-A520 HydrophobicContact CG2-CB 4.02Å
163A96.3Very high94.5Very high8 Ų820 Ų207%0.06612%0.115CC..THydrogen-bonded Turntrans-74.72175.700000114L122 A159 G160 A161 L165L122-A163 HydrophobicContact CB-CB 3.73Å; A159-A163 PolarHBondContact O-N 3.39Å; G160-A163 WeakPolarHBondContact O-CB 3.3Å; G160-A163 PolarHBondContact O-N 3.28Å; G160-A163 VanDerWaalsContact O-N 3.16Å; A161-A163 PolarHBondContact O-N 2.95Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-L165 HydrophobicContact CB-CD1 4.41Å
164G94.5Very high94.8Very high39 Ų3919.7 Ų19.740%0.40211%0.114SC..THydrogen-bonded Turntrans68.534.3-17600000112.5K126 G160 A161 I162K126-G164 PolarHBondContact NZ-O 3.13Å; G160-G164 PolarHBondContact O-N 3.42Å; A161-G164 PolarHBondContact O-N 3.01Å; I162-G164 PolarHBondContact O-N 3.41Å
165L96.7Very high95.2Very high7 Ų719 Ų194%0.03711%0.111CC..  trans-111.4129.9173-67168.7000109.9I7 K126 V137 S138 A140 G160 A163 V167I7-L165 HydrophobicContact CD1-CD1 3.78Å; K126-L165 HydrophobicContact CB-CD2 4.42Å; K126-L165 HydrophobicContact CD-CD2 3.84Å; K126-L165 HydrophobicContact CD-CG 4.22Å; K126-L165 HydrophobicContact CG-CD2 4.23Å; V137-L165 HydrophobicContact CG1-CD2 4.44Å; S138-L165 CarbonylContact O-C 3.55Å; S138-L165 WeakPolarHBondContact O-CA 3.29Å; A140-L165 HydrophobicContact CB-CB 4.33Å; A140-L165 HydrophobicContact CB-CD1 4Å; A140-L165 HydrophobicContact CB-CD2 4.13Å; A140-L165 HydrophobicContact CB-CG 4.39Å; G160-L165 CarbonylContact C-O 3.55Å; G160-L165 WeakPolarHBondContact O-CB 3.16Å; G160-L165 PolarHBondContact O-N 2.88Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-L165 HydrophobicContact CB-CD1 4.41Å; L165-V167 PolarHBondContact O-N 2.97Å
166N96.4Very high95.4Very high94 Ų9418.9 Ų18.950%0.50311%0.11SC..EExtended strand (participates in β ladder)trans-75.6105.6162.7176.637.7000108.7S138 D139 A140 L168S138-N166 PolarHBondContact O-N 3.12Å; D139-N166 WeakPolarHBondContact CA-O 3.48Å; D139-N166 WeakPolarHBondContact OD1-CB 3.36Å; D139-N166 PolarHBondContact OD1-ND2 2.76Å; A140-N166 PolarHBondContact N-O 2.82Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.42Å; N166-L168 PolarHBondContact O-N 2.8Å; N166-L168 VanDerWaalsContact O-N 3.08Å
167V96.6Very high95.4Very high13 Ų1318.8 Ų18.88%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-7895.3-178.5-173.20000109.4A140 I142 K157 L165 R169 I170A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.34Å; I142-V167 HydrophobicContact CD1-CG1 4.28Å; I142-V167 HydrophobicContact CD1-CG2 3.75Å; I142-V167 HydrophobicContact CG1-CG1 4.38Å; K157-V167 HydrophobicContact CG-CB 4.16Å; K157-V167 HydrophobicContact CG-CG1 4.34Å; K157-V167 HydrophobicContact CG-CG2 4.43Å; L165-V167 PolarHBondContact O-N 2.97Å; V167-R169 VanDerWaalsContact C-N 3.27Å; V167-R169 PolarHBondContact O-N 3.05Å; V167-I170 HydrophobicContact CG1-CD1 3.71Å; V167-I170 HydrophobicContact CG1-CG1 4.15Å
168L95.4Very high95.5Very high52 Ų5216 Ų1627%0.27210%0.097SC..EExtended strand (participates in β ladder)trans-63-35.8-179.1-61.9-178.5000112.1A4 D139 A140 V141 N166 L378A4-L168 HydrophobicContact CB-CD1 3.69Å; D139-L168 HydrophobicContact CB-CD1 3.91Å; D139-L168 HydrophobicContact CB-CD2 4.3Å; D139-L168 HydrophobicContact CB-CG 4.02Å; A140-L168 PolarHBondContact O-N 3.33Å; V141-L168 HydrophobicContact CG2-CB 4.37Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.42Å; N166-L168 PolarHBondContact O-N 2.8Å; N166-L168 VanDerWaalsContact O-N 3.08Å; L168-L378 HydrophobicContact CB-CB 4.46Å; L168-L378 HydrophobicContact CB-CD1 4.01Å; L168-L378 HydrophobicContact CD1-CB 4.02Å
169R94.8Very high95.5Very high53 Ų5315.7 Ų15.720%0.210%0.095CC..EExtended strand (participates in β ladder)trans-156.1140.4179.6-173.166.567.41138110.8V141 I142 V167 L378 A480 N481V141-R169 WeakPolarHBondContact CA-O 3.46Å; V141-R169 HydrophobicContact CG1-CB 4.21Å; V141-R169 HydrophobicContact CG2-CB 4.04Å; I142-R169 PolarHBondContact N-O 2.95Å; I142-R169 VanDerWaalsContact N-O 3.13Å; V167-R169 VanDerWaalsContact C-N 3.27Å; V167-R169 PolarHBondContact O-N 3.05Å; R169-L378 HydrophobicContact CB-CD1 3.52Å; R169-L378 HydrophobicContact CG-CD1 4.33Å; R169-A480 WeakPolarHBondContact CD-O 3.27Å; R169-A480 PolarHBondContact NH1-O 3.36Å; R169-N481 WeakPolarHBondContact CA-OD1 3.3Å; R169-N481 WeakPolarHBondContact CD-OD1 3.45Å
170I94.9Very high95.3Very high5 Ų516.3 Ų16.33%0.02610%0.101CC..EExtended strand (participates in β ladder)trans-92.2119157.5-65-63.7000107.5I142 V144 T156 K157 V167 N481I142-I170 HydrophobicContact CB-CD1 4.12Å; I142-I170 WeakPolarHBondContact O-CA 3.25Å; V144-I170 HydrophobicContact CB-CG2 4.14Å; V144-I170 HydrophobicContact CG1-CG2 3.7Å; V144-I170 HydrophobicContact CG2-CG2 3.31Å; T156-I170 HydrophobicContact CG2-CD1 4.4Å; K157-I170 HydrophobicContact CB-CD1 4.18Å; K157-I170 HydrophobicContact CB-CG1 4.17Å; V167-I170 HydrophobicContact CG1-CD1 3.71Å; V167-I170 HydrophobicContact CG1-CG1 4.15Å; I170-N481 HydrophobicContact CB-CB 4.3Å; I170-N481 PolarHBondContact N-OD1 2.87Å
171I95.6Very high95.1Very high3 Ų316.6 Ų16.62%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-111.6142.5-179.3-168.9169.1000110.6V141 I142 T143 V144 A176 I179 A371 Q374 L391V141-I171 HydrophobicContact CG1-CB 4.05Å; V141-I171 HydrophobicContact CG1-CG2 3.56Å; I142-I171 PolarHBondContact O-N 3.36Å; T143-I171 CarbonylContact C-O 3.57Å; T143-I171 VanDerWaalsContact CA-O 3.27Å; T143-I171 WeakPolarHBondContact CA-O 3.49Å; T143-I171 HydrophobicContact CG2-CG2 3.75Å; V144-I171 PolarHBondContact N-O 3.31Å; I171-A176 HydrophobicContact CD1-CB 4.02Å; I171-A176 HydrophobicContact CG1-CB 4.33Å; I171-A176 HydrophobicContact CG2-CB 4.27Å; I171-I179 HydrophobicContact CD1-CD1 3.89Å; I171-A371 HydrophobicContact CG2-CB 4.28Å; I171-Q374 HydrophobicContact CD1-CB 4.05Å; I171-Q374 HydrophobicContact CD1-CG 4.1Å; I171-L391 HydrophobicContact CD1-CD2 4.27Å
172N94.7Very high94.8Very high3 Ų315 Ų152%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-71.1136.8174.6-68.2-23.1000110.8V144 A146 R153 T175 A176 D393V144-N172 CarbonylContact O-C 3.58Å; V144-N172 VanDerWaalsContact O-CA 3.32Å; V144-N172 WeakPolarHBondContact O-CA 3.21Å; A146-N172 HydrophobicContact CB-CB 4.19Å; R153-N172 VanDerWaalsContact CZ-OD1 3.23Å; R153-N172 PolarHBondContact NH1-OD1 2.99Å; R153-N172 PolarHBondContact NH2-OD1 2.77Å; N172-T175 WeakPolarHBondContact CB-OG1 3.43Å; N172-T175 WeakPolarHBondContact O-CB 3.16Å; N172-T175 PolarHBondContact O-N 2.97Å; N172-T175 VanDerWaalsContact O-N 3.09Å; N172-A176 PolarHBondContact O-N 3.43Å; N172-D393 PolarHBondContact ND2-OD1 3.43Å; N172-D393 PolarHBondContact ND2-OD2 3.03Å
173E96.5Very high94.2Very high8 Ų816.5 Ų16.54%0.03710%0.097CC..Hα-helixtrans-55.1-50.4-178.5-74.3162.6-155.800113K69 V144 P145 T175 A176 A177 V367K69-E173 IonicContact NZ-OE1 3.87Å; K69-E173 PolarHBondContact NZ-OE1 2.82Å; V144-E173 WeakPolarHBondContact O-CG 3.23Å; V144-E173 PolarHBondContact O-N 2.88Å; P145-E173 WeakPolarHBondContact CD-OE1 3.4Å; P145-E173 VanDerWaalsContact N-OE1 3.12Å; E173-T175 VanDerWaalsContact C-N 3.26Å; E173-T175 PolarHBondContact O-N 3.33Å; E173-A176 PolarHBondContact O-N 2.9Å; E173-A177 PolarHBondContact O-N 2.73Å; E173-V367 HydrophobicContact CB-CG1 4.15Å; E173-V367 HydrophobicContact CB-CG2 4.34Å; E173-V367 HydrophobicContact CG-CG1 3.83Å
174P95.4Very high93.2Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-63-33.7176.9-22.534000112.9A146 A177 A178 I195 D197 D204 S206A146-P174 HydrophobicContact CB-CG 3.96Å; P174-A177 PolarHBondContact O-N 3.05Å; P174-A178 WeakPolarHBondContact O-CB 3.49Å; P174-A178 PolarHBondContact O-N 3.2Å; P174-I195 HydrophobicContact CB-CB 4Å; P174-I195 HydrophobicContact CB-CG2 3.81Å; P174-D197 HydrophobicContact CG-CB 4.48Å; P174-D204 HydrophobicContact CG-CB 3.59Å; P174-S206 WeakPolarHBondContact CB-OG 3.32Å
175T94.7Very high92.1Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-68.2-43.2178.3-55.70000110.8N172 E173 A178 I179 V217 L391 D393N172-T175 WeakPolarHBondContact CB-OG1 3.43Å; N172-T175 WeakPolarHBondContact O-CB 3.16Å; N172-T175 PolarHBondContact O-N 2.97Å; N172-T175 VanDerWaalsContact O-N 3.09Å; E173-T175 VanDerWaalsContact C-N 3.26Å; E173-T175 PolarHBondContact O-N 3.33Å; T175-A178 WeakPolarHBondContact O-CB 3.45Å; T175-A178 PolarHBondContact O-N 2.97Å; T175-I179 WeakPolarHBondContact O-CG1 3.32Å; T175-I179 PolarHBondContact O-N 3.25Å; T175-I179 VanDerWaalsContact O-N 3.09Å; T175-V217 HydrophobicContact CG2-CG2 4.43Å; T175-L391 HydrophobicContact CG2-CD1 3.18Å; T175-L391 HydrophobicContact CG2-CD2 3.71Å; T175-L391 HydrophobicContact CG2-CG 3.81Å; T175-D393 PolarHBondContact OG1-OD2 3.36Å
176A96.2Very high90.5Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-61.7-44.9172.500000111.3I171 N172 E173 A178 I179 A180 V367 G370I171-A176 HydrophobicContact CD1-CB 4.02Å; I171-A176 HydrophobicContact CG1-CB 4.33Å; I171-A176 HydrophobicContact CG2-CB 4.27Å; N172-A176 PolarHBondContact O-N 3.43Å; E173-A176 PolarHBondContact O-N 2.9Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.26Å; A176-I179 WeakPolarHBondContact O-CB 3.26Å; A176-I179 PolarHBondContact O-N 3.38Å; A176-I179 VanDerWaalsContact O-N 3.14Å; A176-A180 PolarHBondContact O-N 2.88Å; A176-V367 HydrophobicContact CB-CG1 4.41Å; A176-V367 WeakPolarHBondContact CB-O 3.42Å; A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.26Å
177A96Very high88.8Confident0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-63.9-33.1176.700000113.1E173 P174 A180 Y181 I195 V335 A366 V367E173-A177 PolarHBondContact O-N 2.73Å; P174-A177 PolarHBondContact O-N 3.05Å; A177-A180 PolarHBondContact O-N 2.92Å; A177-Y181 PolarHBondContact O-N 3.3Å; A177-I195 HydrophobicContact CB-CG2 4.23Å; A177-V335 HydrophobicContact CB-CB 4.35Å; A177-V335 HydrophobicContact CB-CG1 3.99Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; A177-A366 HydrophobicContact CB-CB 4.29Å; A177-V367 HydrophobicContact CB-CG2 4.33Å
178A94.4Very high87.4Confident0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-64.4-40.1173.100000112P174 T175 A176 A180 Y181 G182 I195 L208 F215P174-A178 WeakPolarHBondContact O-CB 3.49Å; P174-A178 PolarHBondContact O-N 3.2Å; T175-A178 WeakPolarHBondContact O-CB 3.45Å; T175-A178 PolarHBondContact O-N 2.97Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.26Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-Y181 WeakPolarHBondContact O-CB 3.32Å; A178-Y181 PolarHBondContact O-N 3.4Å; A178-G182 PolarHBondContact O-N 2.72Å; A178-I195 HydrophobicContact CB-CD1 4.06Å; A178-I195 HydrophobicContact CB-CG1 4.12Å; A178-L208 HydrophobicContact CB-CD1 4.03Å; A178-L208 HydrophobicContact CB-CD2 3.57Å; A178-L208 HydrophobicContact CB-CG 4.38Å; A178-F215 HydrophobicContact CB-CD1 4.41Å; A178-F215 WeakPolarHBondContact O-CE1 3.33Å
179I93.4Very high86.8Confident0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-58.7-47.8172.1-66.3169.3000110.2I171 T175 A176 Y181 G182 L183 V373 L389 L391I171-I179 HydrophobicContact CD1-CD1 3.89Å; T175-I179 WeakPolarHBondContact O-CG1 3.32Å; T175-I179 PolarHBondContact O-N 3.25Å; T175-I179 VanDerWaalsContact O-N 3.09Å; A176-I179 WeakPolarHBondContact O-CB 3.26Å; A176-I179 PolarHBondContact O-N 3.38Å; A176-I179 VanDerWaalsContact O-N 3.14Å; I179-Y181 VanDerWaalsContact C-N 3.26Å; I179-Y181 PolarHBondContact O-N 2.87Å; I179-G182 PolarHBondContact O-N 3.2Å; I179-G182 VanDerWaalsContact O-N 3.17Å; I179-L183 WeakPolarHBondContact O-CB 3.31Å; I179-L183 PolarHBondContact O-N 3.36Å; I179-V373 HydrophobicContact CG2-CB 3.74Å; I179-V373 HydrophobicContact CG2-CG1 3.64Å; I179-V373 HydrophobicContact CG2-CG2 4.08Å; I179-L389 HydrophobicContact CD1-CD2 4.36Å; I179-L389 HydrophobicContact CG1-CD1 4.32Å; I179-L389 HydrophobicContact CG1-CD2 4.46Å; I179-L389 HydrophobicContact CG2-CD1 3.83Å; I179-L391 HydrophobicContact CD1-CD1 4.1Å; I179-L391 HydrophobicContact CG1-CD1 4.3Å
180A93.3Very high86.7Confident13 Ų1336.1 Ų36.111%0.10721%0.207CC..Hα-helixtrans-61.8-34178.400000112.9A176 A177 A178 A366 Y369A176-A180 PolarHBondContact O-N 2.88Å; A177-A180 PolarHBondContact O-N 2.92Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A180-A366 HydrophobicContact CB-CB 4.18Å; A180-A366 VanDerWaalsContact CB-O 3.27Å; A180-A366 WeakPolarHBondContact CB-O 3.42Å; A180-Y369 HydrophobicContact CB-CD1 3.57Å; A180-Y369 HydrophobicContact CB-CE1 4.38Å; A180-Y369 HydrophobicContact CB-CG 3.99Å
181Y91.9Very high86.6Confident7 Ų739.7 Ų39.73%0.02722%0.22CC..Hα-helixtrans-70.2-43.6172.9168-96.7000112.7A177 A178 I179 K185 V193 I210 D331 V333 N358A177-Y181 PolarHBondContact O-N 3.3Å; A178-Y181 WeakPolarHBondContact O-CB 3.32Å; A178-Y181 PolarHBondContact O-N 3.4Å; I179-Y181 VanDerWaalsContact C-N 3.26Å; I179-Y181 PolarHBondContact O-N 2.87Å; Y181-K185 WeakPolarHBondContact O-CG 3.47Å; Y181-V193 HydrophobicContact CD1-CG1 4.34Å; Y181-V193 HydrophobicContact CD1-CG2 4.39Å; Y181-V193 HydrophobicContact CE1-CG1 4.25Å; Y181-V193 HydrophobicContact CE1-CG2 3.77Å; Y181-I210 HydrophobicContact CD1-CD1 3.87Å; Y181-I210 HydrophobicContact CE1-CD1 4.11Å; Y181-D331 PolarHBondContact OH-OD1 3.25Å; Y181-D331 VanDerWaalsContact OH-OD1 3.07Å; Y181-D331 PolarHBondContact OH-OD2 2.97Å; Y181-V333 HydrophobicContact CD1-CG2 4.46Å; Y181-V333 HydrophobicContact CD2-CG2 3.56Å; Y181-V333 HydrophobicContact CE2-CG2 3.86Å; Y181-V333 HydrophobicContact CG-CG2 3.89Å; Y181-N358 WeakPolarHBondContact CE2-ND2 3.5Å
182G89Confident86.6Confident7 Ų740 Ų407%0.07222%0.222CC..Hα-helixtrans-85-24.6-168.700000115.5A178 I179 D184 K185A178-G182 PolarHBondContact O-N 2.72Å; I179-G182 PolarHBondContact O-N 3.2Å; I179-G182 VanDerWaalsContact O-N 3.17Å; G182-D184 PolarHBondContact O-N 2.95Å; G182-K185 PolarHBondContact O-N 3.24Å; G182-K185 VanDerWaalsContact O-N 3.13Å
183L82.2Confident86.7Confident35 Ų3539.9 Ų39.918%0.18322%0.221CC..THydrogen-bonded Turntrans-56.5-46.9-170-168.970.7000113.8I179 Y369 V373 A385 V386 L389I179-L183 WeakPolarHBondContact O-CB 3.31Å; I179-L183 PolarHBondContact O-N 3.36Å; L183-Y369 HydrophobicContact CD2-CE1 3.98Å; L183-V373 HydrophobicContact CD1-CG1 4.36Å; L183-V373 HydrophobicContact CD2-CG2 3.92Å; L183-A385 VanDerWaalsContact CD1-O 3.27Å; L183-A385 WeakPolarHBondContact CD1-O 3.4Å; L183-V386 HydrophobicContact CD1-CG1 4.25Å; L183-L389 HydrophobicContact CD1-CD1 4.48Å
184D75.3Confident86.8Confident133 Ų13339.5 Ų39.571%0.71122%0.22SC*.THydrogen-bonded Turntrans-90.6-7.1-178.4-69.1-35.2000113.2G182 K186G182-D184 PolarHBondContact O-N 2.95Å; D184-K186 PolarHBondContact O-N 3.07Å
185K71.3Confident86.9Confident83 Ų8339.5 Ų39.536%0.36122%0.22SC..  trans-85.599.4-178.5-70.9-87.4-177169.20108.1Y181 G182 V187Y181-K185 WeakPolarHBondContact O-CG 3.47Å; G182-K185 PolarHBondContact O-N 3.24Å; G182-K185 VanDerWaalsContact O-N 3.13Å; K185-V187 HydrophobicContact CB-CG1 4.14Å; K185-V187 HydrophobicContact CB-CG2 4.02Å; K185-V187 HydrophobicContact CD-CG1 4.48Å; K185-V187 WeakPolarHBondContact O-CG2 3.37Å; K185-V187 PolarHBondContact O-N 3.11Å
186K63.5Low87.1Confident215 Ų21539.5 Ų39.594%0.93522%0.22SC*.  trans-68.370.4156.2-66-167.6-180-170.50108.9D184 G188D184-K186 PolarHBondContact O-N 3.07Å; K186-G188 PolarHBondContact O-N 3.43Å
187V60.1Low87.2Confident26 Ų2639.9 Ų39.916%0.15822%0.222CC..  trans-77.1111.7175.6-93.40000107.7K185 G189 R191K185-V187 HydrophobicContact CB-CG1 4.14Å; K185-V187 HydrophobicContact CB-CG2 4.02Å; K185-V187 HydrophobicContact CD-CG1 4.48Å; K185-V187 WeakPolarHBondContact O-CG2 3.37Å; K185-V187 PolarHBondContact O-N 3.11Å; V187-G189 PolarHBondContact O-N 2.92Å; V187-R191 HydrophobicContact CB-CG 4.41Å; V187-R191 HydrophobicContact CG1-CG 4.43Å
188G68.1Low87.2Confident81 Ų8139.9 Ų39.984%0.83522%0.222SC*.  trans-68.8111.9171.700000109.4K186K186-G188 PolarHBondContact O-N 3.43Å
189G82.6Confident87.3Confident38 Ų3840.4 Ų40.439%0.39223%0.227SC..SBendtrans87.4170.1177.300000115V187 R191V187-G189 PolarHBondContact O-N 2.92Å; G189-R191 PolarHBondContact O-N 2.84Å
190E90.9Very high87.4Confident102 Ų10241 Ų4148%0.47723%0.233SC..  trans-57.5128.6178.7-170.1-170.2151.600112.2T209 E211E190-T209 HydrophobicContact CG-CG2 3.29Å; E190-T209 WeakPolarHBondContact OE1-CG2 3.32Å; E190-E211 HydrophobicContact CB-CB 4.49Å; E190-E211 HydrophobicContact CB-CG 4.49Å
191R93.7Very high87.4Confident79 Ų7940.3 Ų40.330%0.29823%0.228SC..EExtended strand (participates in β ladder)trans-128.9125.3172.3-68.5-175.888.2111.6-2.3112.3V187 G189 V193 I210 H330 D331V187-R191 HydrophobicContact CB-CG 4.41Å; V187-R191 HydrophobicContact CG1-CG 4.43Å; G189-R191 PolarHBondContact O-N 2.84Å; R191-V193 HydrophobicContact CB-CG2 4.49Å; R191-I210 PolarHBondContact N-O 2.96Å; R191-I210 PolarHBondContact O-N 3.23Å; R191-H330 HydrophobicContact CB-CB 4.43Å; R191-D331 IonicContact CZ-OD2 2.81Å; R191-D331 VanDerWaalsContact CZ-OD2 3.24Å; R191-D331 IonicContact NE-OD2 2.74Å; R191-D331 PolarHBondContact NE-OD2 3.43Å; R191-D331 IonicContact NH2-OD2 3.98Å; R191-D331 PolarHBondContact NH2-OD2 3.43Å
192N96.2Very high87.5Confident10 Ų1040.3 Ų40.35%0.05323%0.228CC..EExtended strand (participates in β ladder)trans-82.2123.3166.6-54.1-47.8000110.8L208 T209 M324 Q328 I329 H330N192-L208 CarbonylContact C-O 3.54Å; N192-L208 VanDerWaalsContact CA-O 3.28Å; N192-L208 WeakPolarHBondContact CA-O 3.24Å; N192-T209 PolarHBondContact OD1-OG1 3.16Å; N192-M324 HydrophobicContact CB-CE 4.41Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 VanDerWaalsContact OD1-CE 3.31Å; N192-M324 WeakPolarHBondContact OD1-CE 3.38Å; N192-Q328 WeakPolarHBondContact CB-O 3.28Å; N192-Q328 PolarHBondContact ND2-O 2.91Å; N192-I329 HydrophobicContact CB-CD1 4.4Å; N192-H330 PolarHBondContact N-ND1 2.93Å; N192-H330 WeakPolarHBondContact O-CB 3.38Å; N192-H330 PolarHBondContact O-N 3.37Å; N192-H330 PolarHBondContact O-ND1 3.19Å
193V96.6Very high87.8Confident0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-120.8131.7-177.6-1760000108.8Y181 R191 I195 I207 L208 I210 D331 V333Y181-V193 HydrophobicContact CD1-CG1 4.34Å; Y181-V193 HydrophobicContact CD1-CG2 4.39Å; Y181-V193 HydrophobicContact CE1-CG1 4.25Å; Y181-V193 HydrophobicContact CE1-CG2 3.77Å; R191-V193 HydrophobicContact CB-CG2 4.49Å; V193-I195 HydrophobicContact CG1-CD1 3.83Å; V193-I207 WeakPolarHBondContact O-CA 3.49Å; V193-L208 PolarHBondContact N-O 3.5Å; V193-L208 PolarHBondContact O-N 3.4Å; V193-I210 HydrophobicContact CB-CD1 4.3Å; V193-I210 HydrophobicContact CG2-CD1 3.76Å; V193-I210 HydrophobicContact CG2-CG1 4.29Å; V193-D331 WeakPolarHBondContact CA-O 3.26Å; V193-D331 HydrophobicContact CG1-CB 4.21Å; V193-D331 HydrophobicContact CG2-CB 4.33Å; V193-V333 HydrophobicContact CG1-CG2 3.63Å
194L98.2Very high88.4Confident0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-97.5122.7168.6-175148.4000109.1F196 V205 S206 I207 V315 I329 D331 I332 V333 F352L194-F196 HydrophobicContact CD2-CB 3.86Å; L194-V205 HydrophobicContact CD1-CG1 3.92Å; L194-V205 HydrophobicContact CD2-CG1 4.03Å; L194-V205 HydrophobicContact CG-CG1 3.92Å; L194-S206 WeakPolarHBondContact CA-O 3.37Å; L194-I207 HydrophobicContact CB-CG1 4.47Å; L194-I207 HydrophobicContact CD1-CD1 4.45Å; L194-I207 HydrophobicContact CD1-CG1 4.12Å; L194-I207 HydrophobicContact CG-CG1 4.32Å; L194-V315 HydrophobicContact CD1-CG1 4.01Å; L194-I329 HydrophobicContact CB-CG2 3.84Å; L194-D331 PolarHBondContact N-O 3.31Å; L194-I332 HydrophobicContact CD2-CG2 4.02Å; L194-I332 CarbonylContact O-C 3.56Å; L194-I332 WeakPolarHBondContact O-CA 3.29Å; L194-V333 PolarHBondContact O-N 2.99Å; L194-F352 HydrophobicContact CD1-CE2 4.13Å; L194-F352 HydrophobicContact CD1-CZ 3.69Å
195I98Very high89.4Confident0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-95.4122.3169.8-50.6-59.5000107.7P174 A177 A178 V193 V205 S206 L208 V333 V335P174-I195 HydrophobicContact CB-CB 4Å; P174-I195 HydrophobicContact CB-CG2 3.81Å; A177-I195 HydrophobicContact CB-CG2 4.23Å; A178-I195 HydrophobicContact CB-CD1 4.06Å; A178-I195 HydrophobicContact CB-CG1 4.12Å; V193-I195 HydrophobicContact CG1-CD1 3.83Å; I195-V205 WeakPolarHBondContact O-CA 3.37Å; I195-S206 PolarHBondContact N-O 3.48Å; I195-S206 PolarHBondContact O-N 3.13Å; I195-S206 VanDerWaalsContact O-N 3.09Å; I195-L208 HydrophobicContact CB-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.53Å; I195-V333 HydrophobicContact CD1-CB 3.71Å; I195-V333 HydrophobicContact CD1-CG1 4.17Å; I195-V333 HydrophobicContact CD1-CG2 4.05Å; I195-V335 HydrophobicContact CG2-CG2 3.76Å
196F98.2Very high90.6Very high1 Ų128 Ų280%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-111.4101.7175.5-172.7-79.4000108L194 L198 F203 V205 T311 V315 V333 L334 V335 T339 V344 L348L194-F196 HydrophobicContact CD2-CB 3.86Å; F196-L198 HydrophobicContact CD1-CB 4.4Å; F196-L198 HydrophobicContact CE1-CB 3.89Å; F196-L198 HydrophobicContact CE1-CD2 4.4Å; F196-F203 HydrophobicContact CD1-CE2 4.02Å; F196-F203 AromaticContact CD2-CE2 3.9Å; F196-F203 HydrophobicContact CD2-CE2 3.9Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.45Å; F196-F203 AromaticContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CZ 4.32Å; F196-F203 AromaticContact CE2-CE2 3.51Å; F196-F203 HydrophobicContact CE2-CE2 3.51Å; F196-F203 AromaticContact CE2-CZ 3.4Å; F196-F203 HydrophobicContact CE2-CZ 3.4Å; F196-F203 HydrophobicContact CG-CE2 4.15Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.37Å; F196-F203 HydrophobicContact CZ-CE2 3.37Å; F196-F203 AromaticContact CZ-CZ 3.59Å; F196-F203 HydrophobicContact CZ-CZ 3.59Å; F196-V205 HydrophobicContact CD2-CG2 4.15Å; F196-T311 HydrophobicContact CZ-CG2 4.46Å; F196-V315 HydrophobicContact CD2-CG2 3.82Å; F196-V315 HydrophobicContact CE2-CG2 3.76Å; F196-V333 PolarHBondContact N-O 3.32Å; F196-L334 HydrophobicContact CB-CD2 4.19Å; F196-L334 HydrophobicContact CD1-CD2 4.31Å; F196-L334 HydrophobicContact CG-CD2 4.5Å; F196-V335 PolarHBondContact O-N 3.42Å; F196-T339 HydrophobicContact CD1-CG2 3.78Å; F196-T339 HydrophobicContact CE1-CG2 4.11Å; F196-V344 HydrophobicContact CE1-CG1 3.66Å; F196-V344 HydrophobicContact CZ-CG1 3.87Å; F196-L348 HydrophobicContact CB-CD2 3.97Å; F196-L348 HydrophobicContact CD1-CD2 4.26Å; F196-L348 HydrophobicContact CD2-CD1 3.8Å; F196-L348 HydrophobicContact CD2-CD2 3.64Å; F196-L348 HydrophobicContact CD2-CG 4.35Å; F196-L348 HydrophobicContact CE2-CD1 3.96Å; F196-L348 HydrophobicContact CE2-CD2 4.13Å; F196-L348 HydrophobicContact CG-CD2 3.7Å
197D97.7Very high92.3Very high7 Ų717.8 Ų17.84%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-107.9103.3-176.7-168.4-9.5000110.8P174 F203 D204 V335P174-D197 HydrophobicContact CG-CB 4.48Å; D197-F203 CarbonylContact O-C 3.56Å; D197-F203 WeakPolarHBondContact O-CA 3.11Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.42Å; D197-D204 HydrophobicContact CB-CB 4.46Å; D197-D204 PolarHBondContact N-O 3.34Å; D197-D204 PolarHBondContact O-N 2.96Å; D197-V335 WeakPolarHBondContact CA-O 3.46Å; D197-V335 HydrophobicContact CB-CB 4Å; D197-V335 HydrophobicContact CB-CG1 4.36Å
198L97.7Very high94Very high0 Ų016.6 Ų16.60%011%0.113CC..EExtended strand (participates in β ladder)trans-115.997.7176.4-173.366.6000109.3F196 F203 L226 F231 T311 V335 G336 S338 T339 V344F196-L198 HydrophobicContact CD1-CB 4.4Å; F196-L198 HydrophobicContact CE1-CB 3.89Å; F196-L198 HydrophobicContact CE1-CD2 4.4Å; L198-F203 HydrophobicContact CB-CD2 3.93Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.64Å; L198-F203 HydrophobicContact CD1-CD2 3.56Å; L198-F203 HydrophobicContact CD1-CE2 4.49Å; L198-F203 HydrophobicContact CD1-CG 3.75Å; L198-F203 HydrophobicContact CG-CD2 4.3Å; L198-L226 HydrophobicContact CD1-CG 4.45Å; L198-F231 HydrophobicContact CD2-CE2 4.19Å; L198-F231 HydrophobicContact CD2-CZ 4.2Å; L198-T311 HydrophobicContact CD1-CG2 4.46Å; L198-T311 HydrophobicContact CD2-CG2 4.36Å; L198-V335 PolarHBondContact N-O 3.19Å; L198-G336 CarbonylContact O-C 3.54Å; L198-G336 VanDerWaalsContact O-C 3.27Å; L198-G336 WeakPolarHBondContact O-CA 3.28Å; L198-S338 VanDerWaalsContact O-CB 3.24Å; L198-S338 WeakPolarHBondContact O-CB 3.11Å; L198-S338 PolarHBondContact O-N 3.08Å; L198-S338 VanDerWaalsContact O-N 3.13Å; L198-T339 HydrophobicContact CB-CG2 3.85Å; L198-V344 HydrophobicContact CD2-CG1 4.04Å; L198-V344 HydrophobicContact CD2-CG2 4.14Å
199G96.2Very high95.3Very high11 Ų1113.1 Ų13.111%0.1138%0.076CC..  trans-87.9-157.1-175.600000114.3T202 G228 S338G199-T202 PolarHBondContact N-O 3.48Å; G199-G228 PolarHBondContact O-N 2.92Å; G199-S338 PolarHBondContact O-OG 3.33Å
200G95.2Very high95.8Very high12 Ų1211.5 Ų11.512%0.1246%0.058CC..SBendtrans-74.8-29.3175.500000113.5G227 G228 E229G200-G227 CarbonylContact O-C 3.53Å; G200-G228 PolarHBondContact O-N 3.41Å; G200-E229 PolarHBondContact O-N 3.32Å
201G93.9Very high95.8Very high0 Ų010.6 Ų10.60%05%0.054CC..SBendtrans-147.5-2.7-177.800000116.8R70 L226R70-G201 PolarHBondContact NE-O 3.44Å; R70-G201 VanDerWaalsContact NH2-CA 3.26Å; R70-G201 PolarHBondContact NH2-O 2.66Å; G201-L226 CarbonylContact C-O 3.51Å; G201-L226 PolarHBondContact O-N 2.89Å
202T92.7Very high95.3Very high7 Ų713.1 Ų13.14%0.0437%0.074CC..  trans-130.8149.1-179.649.60000109.4P145 G199 L226P145-T202 HydrophobicContact CB-CG2 4.23Å; P145-T202 HydrophobicContact CG-CG2 3.63Å; G199-T202 PolarHBondContact N-O 3.48Å; T202-L226 CarbonylContact C-O 3.44Å; T202-L226 VanDerWaalsContact CA-O 3.28Å; T202-L226 WeakPolarHBondContact CA-O 3.17Å; T202-L226 PolarHBondContact N-O 3.27Å
203F95.1Very high94.7Very high0 Ų013.9 Ų13.90%08%0.084CC..EExtended strand (participates in β ladder)trans-128.8121.9174.6175.9-130.7000109.4F196 D197 L198 V205 G222 D223 L226 T311 P314F196-F203 HydrophobicContact CD1-CE2 4.02Å; F196-F203 AromaticContact CD2-CE2 3.9Å; F196-F203 HydrophobicContact CD2-CE2 3.9Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.45Å; F196-F203 AromaticContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CE2 3.63Å; F196-F203 HydrophobicContact CE1-CZ 4.32Å; F196-F203 AromaticContact CE2-CE2 3.51Å; F196-F203 HydrophobicContact CE2-CE2 3.51Å; F196-F203 AromaticContact CE2-CZ 3.4Å; F196-F203 HydrophobicContact CE2-CZ 3.4Å; F196-F203 HydrophobicContact CG-CE2 4.15Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.37Å; F196-F203 HydrophobicContact CZ-CE2 3.37Å; F196-F203 AromaticContact CZ-CZ 3.59Å; F196-F203 HydrophobicContact CZ-CZ 3.59Å; D197-F203 CarbonylContact O-C 3.56Å; D197-F203 WeakPolarHBondContact O-CA 3.11Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.42Å; L198-F203 HydrophobicContact CB-CD2 3.93Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.64Å; L198-F203 HydrophobicContact CD1-CD2 3.56Å; L198-F203 HydrophobicContact CD1-CE2 4.49Å; L198-F203 HydrophobicContact CD1-CG 3.75Å; L198-F203 HydrophobicContact CG-CD2 4.3Å; F203-V205 HydrophobicContact CE1-CG2 3.99Å; F203-V205 HydrophobicContact CE2-CG2 3.72Å; F203-V205 HydrophobicContact CZ-CG2 3.29Å; F203-G222 CarbonylContact O-C 3.44Å; F203-G222 WeakPolarHBondContact O-CA 3.34Å; F203-D223 PolarHBondContact N-O 3.35Å; F203-D223 PolarHBondContact O-N 3.41Å; F203-L226 HydrophobicContact CB-CB 4.16Å; F203-L226 HydrophobicContact CB-CD2 4.23Å; F203-L226 HydrophobicContact CB-CG 4.32Å; F203-L226 HydrophobicContact CD1-CD2 4.02Å; F203-L226 HydrophobicContact CG-CD2 4.36Å; F203-L226 PolarHBondContact N-O 2.88Å; F203-T311 HydrophobicContact CE1-CG2 4.32Å; F203-T311 WeakPolarHBondContact CE1-O 3.27Å; F203-T311 HydrophobicContact CZ-CG2 4.45Å; F203-T311 WeakPolarHBondContact CZ-O 3.35Å; F203-P314 HydrophobicContact CD1-CB 4.37Å; F203-P314 HydrophobicContact CD1-CG 3.93Å; F203-P314 HydrophobicContact CE1-CB 3.75Å; F203-P314 HydrophobicContact CE1-CG 3.56Å; F203-P314 HydrophobicContact CZ-CB 4.48Å
204D94.9Very high94.4Very high0 Ų017.1 Ų17.10%010%0.1CC..EExtended strand (participates in β ladder)trans-127.6146175.5-68.5-57.6000110.9P145 A146 Y147 P174 D197P145-D204 WeakPolarHBondContact CA-OD2 3.21Å; P145-D204 WeakPolarHBondContact CB-OD2 3.5Å; A146-D204 HydrophobicContact CB-CB 4.3Å; A146-D204 PolarHBondContact N-OD1 2.77Å; A146-D204 PolarHBondContact N-OD2 3.25Å; Y147-D204 WeakPolarHBondContact CB-OD1 3.43Å; Y147-D204 PolarHBondContact N-OD1 3.46Å; Y147-D204 VanDerWaalsContact N-OD1 3.11Å; P174-D204 HydrophobicContact CG-CB 3.59Å; D197-D204 HydrophobicContact CB-CB 4.46Å; D197-D204 PolarHBondContact N-O 3.34Å; D197-D204 PolarHBondContact O-N 2.96Å
205V96.8Very high94.1Very high0 Ų017.4 Ų17.40%010%0.101CC..EExtended strand (participates in β ladder)trans-129.2124.6170.3-177.30000108.1L194 I195 F196 F203 T220 A221 P314 V315 A318L194-V205 HydrophobicContact CD1-CG1 3.92Å; L194-V205 HydrophobicContact CD2-CG1 4.03Å; L194-V205 HydrophobicContact CG-CG1 3.92Å; I195-V205 WeakPolarHBondContact O-CA 3.37Å; F196-V205 HydrophobicContact CD2-CG2 4.15Å; F203-V205 HydrophobicContact CE1-CG2 3.99Å; F203-V205 HydrophobicContact CE2-CG2 3.72Å; F203-V205 HydrophobicContact CZ-CG2 3.29Å; V205-T220 CarbonylContact O-C 3.27Å; V205-T220 WeakPolarHBondContact O-CA 3.25Å; V205-T220 PolarHBondContact O-OG1 2.83Å; V205-A221 PolarHBondContact N-O 2.92Å; V205-A221 PolarHBondContact O-N 3.49Å; V205-A221 VanDerWaalsContact O-O 3.1Å; V205-P314 HydrophobicContact CG2-CB 4.12Å; V205-V315 HydrophobicContact CG1-CG2 4.24Å; V205-V315 HydrophobicContact CG2-CG2 3.78Å; V205-A318 HydrophobicContact CG1-CB 4Å
206S97.4Very high94Very high0 Ų020.1 Ų20.10%011%0.114CC..EExtended strand (participates in β ladder)trans-126.7139.7173.4-66.20000110.5P174 L194 I195 S219 T220P174-S206 WeakPolarHBondContact CB-OG 3.32Å; L194-S206 WeakPolarHBondContact CA-O 3.37Å; I195-S206 PolarHBondContact N-O 3.48Å; I195-S206 PolarHBondContact O-N 3.13Å; I195-S206 VanDerWaalsContact O-N 3.09Å; S206-S219 WeakPolarHBondContact CA-O 3.27Å; S206-T220 WeakPolarHBondContact OG-CB 3.37Å; S206-T220 PolarHBondContact OG-OG1 2.87Å
207I98Very high93.9Very high0 Ų020.1 Ų20.10%011%0.114CC..EExtended strand (participates in β ladder)trans-106.8124.7170-62.9172.6000107.2V193 L194 K218 S219 A318 L319 A322 M324 I329V193-I207 WeakPolarHBondContact O-CA 3.49Å; L194-I207 HydrophobicContact CB-CG1 4.47Å; L194-I207 HydrophobicContact CD1-CD1 4.45Å; L194-I207 HydrophobicContact CD1-CG1 4.12Å; L194-I207 HydrophobicContact CG-CG1 4.32Å; I207-K218 HydrophobicContact CG2-CB 4.49Å; I207-K218 PolarHBondContact O-N 2.88Å; I207-S219 PolarHBondContact N-O 2.86Å; I207-S219 PolarHBondContact O-N 2.98Å; I207-A318 VanDerWaalsContact CD1-C 3.5Å; I207-A318 HydrophobicContact CD1-CB 3.96Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; I207-L319 HydrophobicContact CD1-CB 4.36Å; I207-L319 HydrophobicContact CD1-CD2 3.74Å; I207-L319 HydrophobicContact CD1-CG 3.96Å; I207-A322 HydrophobicContact CB-CB 4.29Å; I207-A322 HydrophobicContact CD1-CB 3.96Å; I207-A322 HydrophobicContact CG2-CB 4.17Å; I207-M324 HydrophobicContact CG2-SD 3.82Å; I207-I329 HydrophobicContact CD1-CD1 4.18Å; I207-I329 HydrophobicContact CG1-CD1 4.37Å; I207-I329 HydrophobicContact CG2-CD1 3.94Å
208L96.6Very high93.8Very high0 Ų022.6 Ų22.60%013%0.125CC..EExtended strand (participates in β ladder)trans-122.4148.5179.3-57.691.7000110.3A178 N192 V193 I195 E216 V217A178-L208 HydrophobicContact CB-CD1 4.03Å; A178-L208 HydrophobicContact CB-CD2 3.57Å; A178-L208 HydrophobicContact CB-CG 4.38Å; N192-L208 CarbonylContact C-O 3.54Å; N192-L208 VanDerWaalsContact CA-O 3.28Å; N192-L208 WeakPolarHBondContact CA-O 3.24Å; V193-L208 PolarHBondContact N-O 3.5Å; V193-L208 PolarHBondContact O-N 3.4Å; I195-L208 HydrophobicContact CB-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.53Å; L208-E216 CarbonylContact C-O 3.59Å; L208-E216 WeakPolarHBondContact CA-O 3.26Å; L208-V217 HydrophobicContact CD2-CG2 3.65Å; L208-V217 HydrophobicContact CG-CB 4.46Å; L208-V217 HydrophobicContact CG-CG2 3.97Å
209T95.3Very high93.8Very high8 Ų822.6 Ų22.65%0.04913%0.125CC..EExtended strand (participates in β ladder)trans-101.8127164.2-59.80000108E190 N192 E216 K218E190-T209 HydrophobicContact CG-CG2 3.29Å; E190-T209 WeakPolarHBondContact OE1-CG2 3.32Å; N192-T209 PolarHBondContact OD1-OG1 3.16Å; T209-E216 PolarHBondContact N-O 3.13Å; T209-E216 PolarHBondContact O-N 3.29Å; T209-K218 WeakPolarHBondContact OG1-CE 3.49Å; T209-K218 WeakPolarHBondContact OG1-CG 3.46Å
210I92.7Very high93.6Very high5 Ų522.1 Ų22.13%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-116120.9179-52.3177.7000108.2Y181 R191 V193 I214 F215Y181-I210 HydrophobicContact CD1-CD1 3.87Å; Y181-I210 HydrophobicContact CE1-CD1 4.11Å; R191-I210 PolarHBondContact N-O 2.96Å; R191-I210 PolarHBondContact O-N 3.23Å; V193-I210 HydrophobicContact CB-CD1 4.3Å; V193-I210 HydrophobicContact CG2-CD1 3.76Å; V193-I210 HydrophobicContact CG2-CG1 4.29Å; I210-I214 WeakPolarHBondContact CA-O 3.39Å; I210-F215 HydrophobicContact CD1-CD1 3.92Å; I210-F215 HydrophobicContact CD1-CE1 3.82Å; I210-F215 HydrophobicContact CG1-CD1 3.86Å; I210-F215 HydrophobicContact CG1-CE1 4.14Å; I210-F215 HydrophobicContact CG2-CD1 4.14Å; I210-F215 HydrophobicContact CG2-CE1 3.86Å; I210-F215 HydrophobicContact CG2-CZ 4.12Å
211E90.2Very high93.4Very high83 Ų8321.6 Ų21.639%0.38811%0.114SC..EExtended strand (participates in β ladder)trans-148.6122.6179.1-175.2177.3-155.600109.4E190 G213 I214E190-E211 HydrophobicContact CB-CB 4.49Å; E190-E211 HydrophobicContact CB-CG 4.49Å; E211-G213 VanDerWaalsContact C-N 3.3Å; E211-G213 PolarHBondContact O-N 3.41Å; E211-G213 VanDerWaalsContact O-N 3.09Å; E211-I214 PolarHBondContact N-O 3.25Å; E211-I214 WeakPolarHBondContact O-CA 3.42Å; E211-I214 VanDerWaalsContact O-CB 3.27Å; E211-I214 WeakPolarHBondContact O-CB 3.44Å; E211-I214 PolarHBondContact O-N 3.43Å
212D83.9Confident93.2Very high132 Ų13222.2 Ų22.271%0.70612%0.121SC*.THydrogen-bonded Turntrans45.246.3172.6-64.1-22.6000115.4I214D212-I214 VanDerWaalsContact C-N 3.27Å; D212-I214 PolarHBondContact O-N 3.07Å
213G83.3Confident92.8Very high26 Ų2625.2 Ų25.227%0.26814%0.136SC..THydrogen-bonded Turntrans82.5-3.7179.800000114.9E211 F215 L389 L390E211-G213 VanDerWaalsContact C-N 3.3Å; E211-G213 PolarHBondContact O-N 3.41Å; E211-G213 VanDerWaalsContact O-N 3.09Å; G213-F215 VanDerWaalsContact O-CD2 3.27Å; G213-F215 WeakPolarHBondContact O-CD2 3.36Å; G213-F215 WeakPolarHBondContact O-CE2 3.34Å; G213-L389 WeakPolarHBondContact O-CA 3.49Å; G213-L390 PolarHBondContact O-N 3.13Å
214I89.8Confident92.2Very high68 Ų6826.2 Ų26.235%0.34914%0.142SC..EExtended strand (participates in β ladder)trans-88.2124.1172.2-52.3176.3000109I210 E211 D212 L390 L392I210-I214 WeakPolarHBondContact CA-O 3.39Å; E211-I214 PolarHBondContact N-O 3.25Å; E211-I214 WeakPolarHBondContact O-CA 3.42Å; E211-I214 VanDerWaalsContact O-CB 3.27Å; E211-I214 WeakPolarHBondContact O-CB 3.44Å; E211-I214 PolarHBondContact O-N 3.43Å; D212-I214 VanDerWaalsContact C-N 3.27Å; D212-I214 PolarHBondContact O-N 3.07Å; I214-L390 WeakPolarHBondContact CA-O 3.45Å; I214-L390 HydrophobicContact CG1-CB 4.34Å; I214-L390 HydrophobicContact CG1-CD2 4.47Å; I214-L390 HydrophobicContact CG2-CD2 4.41Å; I214-L392 HydrophobicContact CG2-CD1 4.27Å
215F93Very high91.7Very high5 Ų528 Ų282%0.02215%0.151CC..EExtended strand (participates in β ladder)trans-114100.3176.1-65.7-102.8000108.3A178 I210 G213 L389 L390 L391 L392A178-F215 HydrophobicContact CB-CD1 4.41Å; A178-F215 WeakPolarHBondContact O-CE1 3.33Å; I210-F215 HydrophobicContact CD1-CD1 3.92Å; I210-F215 HydrophobicContact CD1-CE1 3.82Å; I210-F215 HydrophobicContact CG1-CD1 3.86Å; I210-F215 HydrophobicContact CG1-CE1 4.14Å; I210-F215 HydrophobicContact CG2-CD1 4.14Å; I210-F215 HydrophobicContact CG2-CE1 3.86Å; I210-F215 HydrophobicContact CG2-CZ 4.12Å; G213-F215 VanDerWaalsContact O-CD2 3.27Å; G213-F215 WeakPolarHBondContact O-CD2 3.36Å; G213-F215 WeakPolarHBondContact O-CE2 3.34Å; F215-L389 HydrophobicContact CD2-CD1 4.25Å; F215-L389 HydrophobicContact CD2-CD2 4.22Å; F215-L389 HydrophobicContact CD2-CG 3.9Å; F215-L389 HydrophobicContact CE2-CD1 3.72Å; F215-L389 HydrophobicContact CE2-CD2 4.5Å; F215-L389 HydrophobicContact CE2-CG 3.74Å; F215-L389 HydrophobicContact CZ-CD1 4.36Å; F215-L390 PolarHBondContact N-O 2.8Å; F215-L391 HydrophobicContact CB-CD1 3.89Å; F215-L392 PolarHBondContact O-N 3.34Å
216E95Very high91.5Very high57 Ų5728.5 Ų28.527%0.26615%0.153SC..EExtended strand (participates in β ladder)trans-107.5114.6-178.9-169-169.6157.200111L208 T209 K218 L392L208-E216 CarbonylContact C-O 3.59Å; L208-E216 WeakPolarHBondContact CA-O 3.26Å; T209-E216 PolarHBondContact N-O 3.13Å; T209-E216 PolarHBondContact O-N 3.29Å; E216-K218 HydrophobicContact CG-CD 4.49Å; E216-K218 PolarHBondContact O-N 3.25Å; E216-K218 IonicContact OE1-NZ 3Å; E216-K218 PolarHBondContact OE1-NZ 2.75Å; E216-K218 IonicContact OE2-NZ 3.66Å; E216-K218 PolarHBondContact OE2-NZ 3.23Å; E216-L392 WeakPolarHBondContact CA-O 3.3Å; E216-L392 HydrophobicContact CB-CB 4.25Å; E216-L392 HydrophobicContact CB-CD1 4.42Å; E216-L392 HydrophobicContact CG-CB 3.97Å; E216-L392 HydrophobicContact CG-CD1 4.16Å
217V96.3Very high91.4Very high1 Ų128.5 Ų28.51%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-71.9119.3172.1-174.30000108.6T175 L208 L392 D393 V394T175-V217 HydrophobicContact CG2-CG2 4.43Å; L208-V217 HydrophobicContact CD2-CG2 3.65Å; L208-V217 HydrophobicContact CG-CB 4.46Å; L208-V217 HydrophobicContact CG-CG2 3.97Å; V217-L392 PolarHBondContact N-O 2.93Å; V217-D393 HydrophobicContact CG2-CB 4.44Å; V217-V394 HydrophobicContact CB-CG1 4.21Å; V217-V394 HydrophobicContact CB-CG2 4.21Å; V217-V394 HydrophobicContact CG1-CG1 4.42Å; V217-V394 HydrophobicContact CG1-CG2 3.65Å; V217-V394 WeakPolarHBondContact O-CG1 3.47Å
218K96.8Very high91.3Very high60 Ų6028.6 Ų28.626%0.26115%0.154SC..EExtended strand (participates in β ladder)trans-88.8-34.6177.4-61.7-62.8180-178.80112.1I207 T209 E216 A322 M324I207-K218 HydrophobicContact CG2-CB 4.49Å; I207-K218 PolarHBondContact O-N 2.88Å; T209-K218 WeakPolarHBondContact OG1-CE 3.49Å; T209-K218 WeakPolarHBondContact OG1-CG 3.46Å; E216-K218 HydrophobicContact CG-CD 4.49Å; E216-K218 PolarHBondContact O-N 3.25Å; E216-K218 IonicContact OE1-NZ 3Å; E216-K218 PolarHBondContact OE1-NZ 2.75Å; E216-K218 IonicContact OE2-NZ 3.66Å; E216-K218 PolarHBondContact OE2-NZ 3.23Å; K218-A322 HydrophobicContact CB-CB 4Å; K218-M324 HydrophobicContact CG-CE 4.05Å
219S95.9Very high91.3Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-160.3156.3174.665.50000111.7S206 I207 A318 N415S206-S219 WeakPolarHBondContact CA-O 3.27Å; I207-S219 PolarHBondContact N-O 2.86Å; I207-S219 PolarHBondContact O-N 2.98Å; S219-A318 PolarHBondContact OG-O 3Å; S219-N415 VanDerWaalsContact CA-OD1 3.31Å; S219-N415 WeakPolarHBondContact CA-OD1 3.49Å
220T93.5Very high91.3Very high1 Ų129.7 Ų29.71%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-137.6146.4168.4-168.80000111.3A146 V205 S206 V394 P396 N415A146-T220 HydrophobicContact CB-CG2 4.46Å; A146-T220 WeakPolarHBondContact CB-OG1 3.2Å; V205-T220 CarbonylContact O-C 3.27Å; V205-T220 WeakPolarHBondContact O-CA 3.25Å; V205-T220 PolarHBondContact O-OG1 2.83Å; S206-T220 WeakPolarHBondContact OG-CB 3.37Å; S206-T220 PolarHBondContact OG-OG1 2.87Å; T220-V394 HydrophobicContact CG2-CG2 4.13Å; T220-P396 HydrophobicContact CG2-CB 3.81Å; T220-N415 PolarHBondContact N-OD1 3.4Å
221A90.8Very high91.6Very high0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-148.6159.7173.400000108.7V205 P314 K317 A318V205-A221 PolarHBondContact N-O 2.92Å; V205-A221 PolarHBondContact O-N 3.49Å; V205-A221 VanDerWaalsContact O-O 3.1Å; A221-P314 HydrophobicContact CB-CB 4.04Å; A221-P314 WeakPolarHBondContact CB-O 3.47Å; A221-K317 HydrophobicContact CB-CB 4.19Å; A221-K317 HydrophobicContact CB-CD 3.99Å; A221-K317 HydrophobicContact CB-CG 4.2Å; A221-A318 HydrophobicContact CB-CB 4.38Å
222G89.3Confident91.9Very high14 Ų1425.6 Ų25.614%0.14414%0.14CC..EExtended strand (participates in β ladder)trans-177.7-177179.200000113.5F203F203-G222 CarbonylContact O-C 3.44Å; F203-G222 WeakPolarHBondContact O-CA 3.34Å
223D85.2Confident92.5Very high70 Ų7019.9 Ų19.937%0.37411%0.11SC..EExtended strand (participates in β ladder)trans-134.1111169.4-172.3-14.9000108.6F203 H225 L226F203-D223 PolarHBondContact N-O 3.35Å; F203-D223 PolarHBondContact O-N 3.41Å; D223-H225 PolarHBondContact O-N 3.18Å; D223-H225 WeakPolarHBondContact OD1-CA 3.47Å; D223-H225 PolarHBondContact OD1-N 2.87Å; D223-L226 HydrophobicContact CB-CB 3.89Å
224T81.3Confident93.2Very high20 Ų2022.2 Ų22.212%0.12311%0.111CC..THydrogen-bonded Turntrans-72.25.1179.460.80000113.4R74 Y147 F148R74-T224 PolarHBondContact NH2-OG1 2.88Å; Y147-T224 HydrophobicContact CD1-CG2 4.44Å; Y147-T224 WeakPolarHBondContact O-CG2 3.21Å; F148-T224 HydrophobicContact CD1-CG2 4.06Å
225H84.9Confident93.6Very high39 Ų3919 Ų1918%0.1819%0.094CC..THydrogen-bonded Turntrans-135.628.2-175.3-15355.5000113.5R70 D84 D223R70-H225 PolarHBondContact NH1-CE1 2.82Å; R70-H225 VanDerWaalsContact NH1-CE1 3.33Å; D84-H225 IonicContact OD1-CE1 3.73Å; D84-H225 PolarHBondContact OD1-CE1 3.43Å; D84-H225 IonicContact OD1-NE2 3.54Å; D84-H225 PolarHBondContact OD1-NE2 2.95Å; D84-H225 IonicContact OD2-CE1 3.7Å; D84-H225 PolarHBondContact OD2-CE1 3.09Å; D84-H225 IonicContact OD2-ND1 2.74Å; D84-H225 IonicContact OD2-NE2 3.12Å; D223-H225 PolarHBondContact O-N 3.18Å; D223-H225 WeakPolarHBondContact OD1-CA 3.47Å; D223-H225 PolarHBondContact OD1-N 2.87Å
226L91.4Very high93.8Very high10 Ų1019 Ų195%0.05210%0.095CC..  trans-131.1126.3177.3177.862.1000110.4L198 G201 T202 F203 D223 D230 F231 L307 T311L198-L226 HydrophobicContact CD1-CG 4.45Å; G201-L226 CarbonylContact C-O 3.51Å; G201-L226 PolarHBondContact O-N 2.89Å; T202-L226 CarbonylContact C-O 3.44Å; T202-L226 VanDerWaalsContact CA-O 3.28Å; T202-L226 WeakPolarHBondContact CA-O 3.17Å; T202-L226 PolarHBondContact N-O 3.27Å; F203-L226 HydrophobicContact CB-CB 4.16Å; F203-L226 HydrophobicContact CB-CD2 4.23Å; F203-L226 HydrophobicContact CB-CG 4.32Å; F203-L226 HydrophobicContact CD1-CD2 4.02Å; F203-L226 HydrophobicContact CG-CD2 4.36Å; F203-L226 PolarHBondContact N-O 2.88Å; D223-L226 HydrophobicContact CB-CB 3.89Å; L226-D230 WeakPolarHBondContact CA-OD2 3.4Å; L226-F231 HydrophobicContact CD1-CE1 4.29Å; L226-L307 HydrophobicContact CD1-CB 4.13Å; L226-L307 HydrophobicContact CD1-CD2 4.14Å; L226-T311 HydrophobicContact CD2-CG2 3.99Å
227G95.8Very high93.9Very high0 Ų019.6 Ų19.60%010%0.099CC..SBendtrans-178.5-165.2176.500000114.7G200 E229 D230G200-G227 CarbonylContact O-C 3.53Å; G227-E229 VanDerWaalsContact C-N 3.27Å; G227-E229 PolarHBondContact O-N 2.82Å; G227-D230 PolarHBondContact N-OD2 3.04Å; G227-D230 PolarHBondContact O-N 2.95Å; G227-D230 VanDerWaalsContact O-N 3.13Å
228G97.1Very high94Very high2 Ų221.5 Ų21.52%0.02111%0.108CC..Hα-helixtrans-55.2-34.8-177.800000115.3G199 G200 D230 F231 D232 K269 S338G199-G228 PolarHBondContact O-N 2.92Å; G200-G228 PolarHBondContact O-N 3.41Å; G228-D230 VanDerWaalsContact C-N 3.34Å; G228-F231 PolarHBondContact O-N 3.21Å; G228-D232 PolarHBondContact O-N 3.14Å; G228-D232 VanDerWaalsContact O-N 3.12Å; G228-K269 PolarHBondContact O-NZ 3.28Å; G228-S338 VanDerWaalsContact CA-OG 3.27Å; G228-S338 WeakPolarHBondContact CA-OG 3.48Å; G228-S338 PolarHBondContact N-OG 3.03Å
229E95.4Very high94.1Very high10 Ų1018.6 Ų18.65%0.04710%0.096CC..Hα-helixtrans-68.4-31.8179-73.2-62.1137.600112.2T12 G200 G227 F231 D232 N233 R262T12-E229 HydrophobicContact CG2-CG 3.98Å; G200-E229 PolarHBondContact O-N 3.32Å; G227-E229 VanDerWaalsContact C-N 3.27Å; G227-E229 PolarHBondContact O-N 2.82Å; E229-F231 VanDerWaalsContact C-N 3.32Å; E229-D232 PolarHBondContact O-N 3.26Å; E229-N233 VanDerWaalsContact O-CG 3.25Å; E229-N233 PolarHBondContact O-N 3.43Å; E229-N233 PolarHBondContact O-ND2 3.35Å; E229-R262 IonicContact OE2-NH1 2.97Å
230D96.5Very high94.1Very high21 Ų2118.8 Ų18.811%0.11210%0.096CC..Hα-helixtrans-69.4-35.9176.4-51.1-59.9000110.6R70 L226 G227 G228 D232 N233 R234 L307R70-D230 IonicContact CZ-OD1 3.96Å; R70-D230 IonicContact CZ-OD2 2.69Å; R70-D230 IonicContact NH1-OD1 3.7Å; R70-D230 PolarHBondContact NH1-OD1 2.85Å; R70-D230 IonicContact NH1-OD2 3.9Å; R70-D230 IonicContact NH2-OD1 3.94Å; R70-D230 PolarHBondContact NH2-OD1 3.42Å; R70-D230 IonicContact NH2-OD2 3.65Å; R70-D230 PolarHBondContact NH2-OD2 2.95Å; L226-D230 WeakPolarHBondContact CA-OD2 3.4Å; G227-D230 PolarHBondContact N-OD2 3.04Å; G227-D230 PolarHBondContact O-N 2.95Å; G227-D230 VanDerWaalsContact O-N 3.13Å; G228-D230 VanDerWaalsContact C-N 3.34Å; D230-D232 VanDerWaalsContact C-N 3.33Å; D230-N233 WeakPolarHBondContact O-CB 3.28Å; D230-N233 PolarHBondContact O-N 3.48Å; D230-R234 WeakPolarHBondContact O-CG 3.32Å; D230-R234 PolarHBondContact O-N 3.41Å; D230-R234 VanDerWaalsContact O-N 3.07Å; D230-L307 HydrophobicContact CB-CD1 4.06Å
231F98.1Very high94.4Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-66.8-38174-47.2-32.9000111.7L198 L226 G228 E229 R234 M235 K269 F300 N304 L307 F308 I341L198-F231 HydrophobicContact CD2-CE2 4.19Å; L198-F231 HydrophobicContact CD2-CZ 4.2Å; L226-F231 HydrophobicContact CD1-CE1 4.29Å; G228-F231 PolarHBondContact O-N 3.21Å; E229-F231 VanDerWaalsContact C-N 3.32Å; F231-R234 PolarHBondContact O-N 2.82Å; F231-M235 PolarHBondContact O-N 2.79Å; F231-K269 HydrophobicContact CB-CD 4.09Å; F231-F300 HydrophobicContact CB-CE2 4.11Å; F231-F300 HydrophobicContact CB-CZ 4.28Å; F231-N304 WeakPolarHBondContact CA-OD1 3.46Å; F231-N304 HydrophobicContact CD1-CB 4.36Å; F231-L307 HydrophobicContact CD1-CB 4.39Å; F231-L307 HydrophobicContact CD1-CD1 3.92Å; F231-L307 HydrophobicContact CE1-CB 3.84Å; F231-L307 HydrophobicContact CE1-CD1 4.05Å; F231-F308 HydrophobicContact CD1-CD1 4.39Å; F231-F308 AromaticContact CD1-CE1 3.76Å; F231-F308 HydrophobicContact CD1-CE1 3.76Å; F231-F308 HydrophobicContact CD2-CE1 4.06Å; F231-F308 AromaticContact CE1-CD1 3.83Å; F231-F308 HydrophobicContact CE1-CD1 3.83Å; F231-F308 AromaticContact CE1-CE1 3.59Å; F231-F308 HydrophobicContact CE1-CE1 3.59Å; F231-F308 AromaticContact CE2-CE1 3.9Å; F231-F308 HydrophobicContact CE2-CE1 3.9Å; F231-F308 HydrophobicContact CG-CE1 4.02Å; F231-F308 AromaticContact CZ-CD1 3.92Å; F231-F308 HydrophobicContact CZ-CD1 3.92Å; F231-F308 AromaticContact CZ-CE1 3.67Å; F231-F308 HydrophobicContact CZ-CE1 3.67Å; F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.76Å
232D97.6Very high94.7Very high1 Ų127 Ų271%0.00513%0.133CC..Hα-helixtrans-65.6-41.3173.7-65.7-24.8000110.9G228 E229 D230 R234 M235 V236 K269G228-D232 PolarHBondContact O-N 3.14Å; G228-D232 VanDerWaalsContact O-N 3.12Å; E229-D232 PolarHBondContact O-N 3.26Å; D230-D232 VanDerWaalsContact C-N 3.33Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 2.91Å; D232-M235 PolarHBondContact O-N 3.49Å; D232-M235 VanDerWaalsContact O-N 3.16Å; D232-V236 WeakPolarHBondContact O-CG2 3.34Å; D232-V236 PolarHBondContact O-N 3.04Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.35Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.42Å; D232-K269 IonicContact OD1-NZ 3.99Å; D232-K269 PolarHBondContact OD1-NZ 3.12Å; D232-K269 IonicContact OD2-NZ 3.53Å; D232-K269 PolarHBondContact OD2-NZ 2.87Å
233N95.9Very high95.1Very high13 Ų1326.3 Ų26.37%0.0713%0.126CC..Hα-helixtrans-56.9-45.1175-74.6-31.7000111.8E229 D230 M235 V236 D237 R262E229-N233 VanDerWaalsContact O-CG 3.25Å; E229-N233 PolarHBondContact O-N 3.43Å; E229-N233 PolarHBondContact O-ND2 3.35Å; D230-N233 WeakPolarHBondContact O-CB 3.28Å; D230-N233 PolarHBondContact O-N 3.48Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.85Å; N233-V236 PolarHBondContact O-N 3.04Å; N233-D237 WeakPolarHBondContact O-CB 3.04Å; N233-D237 PolarHBondContact O-N 2.92Å; N233-R262 PolarHBondContact OD1-NH1 3.05Å; N233-R262 PolarHBondContact OD1-NH2 3.26Å
234R97.4Very high95.6Very high75 Ų7526.3 Ų26.328%0.28312%0.123SC..Hα-helixtrans-61.4-39.3176.8-64.7-62.7-176.280.4-1.6112.5D230 F231 D232 H238 L303 N304 D306 L307D230-R234 WeakPolarHBondContact O-CG 3.32Å; D230-R234 PolarHBondContact O-N 3.41Å; D230-R234 VanDerWaalsContact O-N 3.07Å; F231-R234 PolarHBondContact O-N 2.82Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 2.91Å; R234-H238 WeakPolarHBondContact O-CB 3.37Å; R234-H238 PolarHBondContact O-N 3.37Å; R234-H238 VanDerWaalsContact O-N 3.13Å; R234-L303 PolarHBondContact NH1-O 2.78Å; R234-N304 WeakPolarHBondContact CB-OD1 3.38Å; R234-N304 VanDerWaalsContact CG-OD1 3.24Å; R234-N304 WeakPolarHBondContact CG-OD1 3.33Å; R234-D306 IonicContact CZ-OD1 3.17Å; R234-D306 IonicContact CZ-OD2 3.59Å; R234-D306 IonicContact NH1-OD1 2.67Å; R234-D306 PolarHBondContact NH1-OD1 3.02Å; R234-D306 IonicContact NH1-OD2 2.57Å; R234-D306 PolarHBondContact NH1-OD2 3.39Å; R234-D306 IonicContact NH2-OD1 2.92Å; R234-D306 IonicContact NH2-OD2 2.7Å; R234-D306 PolarHBondContact NH2-OD2 2.78Å; R234-L307 HydrophobicContact CG-CD1 4.21Å
235M98.1Very high96.4Very high0 Ų034.3 Ų34.30%016%0.157CC..Hα-helixtrans-67.6-45175.2-70.2-175.96100111.7F231 D232 N233 D237 H238 F239 C265 A268 K269 I295 F300F231-M235 PolarHBondContact O-N 2.79Å; D232-M235 PolarHBondContact O-N 3.49Å; D232-M235 VanDerWaalsContact O-N 3.16Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.85Å; M235-D237 PolarHBondContact O-N 3.48Å; M235-H238 WeakPolarHBondContact O-CB 3.36Å; M235-H238 PolarHBondContact O-N 3.16Å; M235-F239 HydrophobicContact CB-CD2 4.48Å; M235-F239 HydrophobicContact CB-CE2 4.42Å; M235-F239 HydrophobicContact CE-CE2 3.97Å; M235-F239 WeakPolarHBondContact O-CD2 3.49Å; M235-F239 PolarHBondContact O-N 3.45Å; M235-C265 HydrophobicContact CB-CB 3.91Å; M235-C265 HydrophobicContact CE-CB 4.25Å; M235-A268 HydrophobicContact CE-CB 3.79Å; M235-K269 HydrophobicContact SD-CB 4.02Å; M235-I295 HydrophobicContact CE-CD1 3.93Å; M235-I295 HydrophobicContact CE-CG2 4.37Å; M235-F300 HydrophobicContact CG-CD2 3.93Å; M235-F300 HydrophobicContact CG-CE2 4.32Å; M235-F300 HydrophobicContact SD-CD2 3.52Å; M235-F300 VanDerWaalsContact SD-CD2 3.52Å; M235-F300 HydrophobicContact SD-CE2 3.8Å
236V97.6Very high97Very high6 Ų637.6 Ų37.64%0.03617%0.17CC..Hα-helixtrans-58.7-49.2177170.80000110.5D232 N233 H238 F239 V240 L258 L261 R262 C265D232-V236 WeakPolarHBondContact O-CG2 3.34Å; D232-V236 PolarHBondContact O-N 3.04Å; N233-V236 PolarHBondContact O-N 3.04Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.93Å; V236-F239 PolarHBondContact O-N 3.29Å; V236-V240 HydrophobicContact CG1-CG2 4.05Å; V236-V240 WeakPolarHBondContact O-CB 3.24Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.49Å; V236-L258 HydrophobicContact CG1-CD2 4.19Å; V236-L261 HydrophobicContact CG1-CD2 4.34Å; V236-R262 HydrophobicContact CG2-CB 3.92Å; V236-R262 HydrophobicContact CG2-CG 4.26Å; V236-C265 HydrophobicContact CG2-CB 4.13Å
237D97.1Very high97.2Very high68 Ų6841 Ų4136%0.36418%0.183SC..Hα-helixtrans-60.3-39178.9-76.6-15.6000112.5N233 M235 K241N233-D237 WeakPolarHBondContact O-CB 3.04Å; N233-D237 PolarHBondContact O-N 2.92Å; M235-D237 PolarHBondContact O-N 3.48Å; D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 2.88Å
238H98.1Very high97.2Very high41 Ų4148.2 Ų48.219%0.1922%0.222CC..Hα-helixtrans-62-49.7175.4177.448.5000111.4R234 M235 V236 K241 E242 R299 L303R234-H238 WeakPolarHBondContact O-CB 3.37Å; R234-H238 PolarHBondContact O-N 3.37Å; R234-H238 VanDerWaalsContact O-N 3.13Å; M235-H238 WeakPolarHBondContact O-CB 3.36Å; M235-H238 PolarHBondContact O-N 3.16Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.93Å; H238-K241 PolarHBondContact O-N 2.87Å; H238-E242 PolarHBondContact O-N 2.62Å; H238-R299 PolarHBondContact CE1-NH2 3.38Å; H238-L303 HydrophobicContact CB-CD1 3.9Å; H238-L303 HydrophobicContact CB-CD2 4.15Å
239F98.3Very high97Very high0 Ų051.8 Ų51.80%024%0.236CC..Hα-helixtrans-76.6-27.8-176.3-69.9-54.5000114M235 V236 K241 E242 F243 L261 L280 F291 T293 I295M235-F239 HydrophobicContact CB-CD2 4.48Å; M235-F239 HydrophobicContact CB-CE2 4.42Å; M235-F239 HydrophobicContact CE-CE2 3.97Å; M235-F239 WeakPolarHBondContact O-CD2 3.49Å; M235-F239 PolarHBondContact O-N 3.45Å; V236-F239 PolarHBondContact O-N 3.29Å; F239-K241 VanDerWaalsContact C-N 3.33Å; F239-E242 PolarHBondContact O-N 3.43Å; F239-F243 VanDerWaalsContact O-CB 3.3Å; F239-F243 WeakPolarHBondContact O-CB 2.94Å; F239-F243 PolarHBondContact O-N 3.3Å; F239-L261 HydrophobicContact CB-CD1 3.91Å; F239-L261 HydrophobicContact CB-CD2 4.03Å; F239-L261 HydrophobicContact CB-CG 4.48Å; F239-L261 HydrophobicContact CD2-CD1 4.48Å; F239-L261 HydrophobicContact CG-CD1 4.48Å; F239-L280 HydrophobicContact CD2-CD2 3.81Å; F239-L280 HydrophobicContact CE2-CD1 3.96Å; F239-L280 HydrophobicContact CE2-CD2 3.44Å; F239-L280 VanDerWaalsContact CE2-CD2 3.44Å; F239-L280 HydrophobicContact CE2-CG 4.36Å; F239-L280 HydrophobicContact CZ-CD1 3.69Å; F239-L280 HydrophobicContact CZ-CD2 3.88Å; F239-L280 HydrophobicContact CZ-CG 4.4Å; F239-F291 HydrophobicContact CB-CE1 4.02Å; F239-F291 HydrophobicContact CB-CZ 4.26Å; F239-F291 HydrophobicContact CD1-CE1 4.2Å; F239-F291 HydrophobicContact CD1-CZ 4.09Å; F239-F291 HydrophobicContact CG-CE1 4.3Å; F239-T293 HydrophobicContact CD1-CG2 3.73Å; F239-T293 HydrophobicContact CE1-CG2 3.41Å; F239-T293 VanDerWaalsContact CE1-CG2 3.41Å; F239-T293 HydrophobicContact CZ-CG2 4.13Å; F239-I295 HydrophobicContact CE2-CD1 4.22Å; F239-I295 HydrophobicContact CZ-CB 3.82Å; F239-I295 HydrophobicContact CZ-CD1 3.91Å; F239-I295 HydrophobicContact CZ-CG1 4.39Å; F239-I295 HydrophobicContact CZ-CG2 4.06Å
240V97.6Very high97Very high3 Ų354 Ų542%0.01825%0.249CC..Hα-helixtrans-59.6-46168.41640000110.1V236 F243 Q244 I251 R252 L258 L261V236-V240 HydrophobicContact CG1-CG2 4.05Å; V236-V240 WeakPolarHBondContact O-CB 3.24Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.49Å; V240-F243 PolarHBondContact O-N 2.89Å; V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.36Å; V240-I251 HydrophobicContact CG2-CD1 4.09Å; V240-I251 HydrophobicContact CG2-CG1 4.01Å; V240-R252 HydrophobicContact CG1-CG 3.68Å; V240-L258 HydrophobicContact CG2-CD2 3.78Å; V240-L261 HydrophobicContact CG2-CD2 3.84Å
241K98Very high97Very high138 Ų13853 Ų5360%0.624%0.243SC*.Hα-helixtrans-65.8-39.4176.6-70170.4-174.81720111.7D237 H238 F239 Q244 K245D237-K241 VanDerWaalsContact O-CG 3.32Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 2.88Å; H238-K241 PolarHBondContact O-N 2.87Å; F239-K241 VanDerWaalsContact C-N 3.33Å; K241-Q244 PolarHBondContact O-N 2.89Å; K241-K245 WeakPolarHBondContact O-CB 3.34Å; K241-K245 PolarHBondContact O-N 3.05Å
242E97.6Very high96.7Very high35 Ų3559.2 Ų59.216%0.16427%0.267CS..Hα-helixtrans-64.8-46.2176.8-169.3-174.6140.300112H238 F239 Q244 K245 K246 T293H238-E242 PolarHBondContact O-N 2.62Å; F239-E242 PolarHBondContact O-N 3.43Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 2.88Å; E242-K245 PolarHBondContact O-N 3.3Å; E242-K246 HydrophobicContact CG-CD 4.15Å; E242-K246 WeakPolarHBondContact O-CB 3.41Å; E242-K246 PolarHBondContact O-N 2.86Å; E242-K246 VanDerWaalsContact OE1-CE 3.24Å; E242-K246 WeakPolarHBondContact OE1-CE 3.38Å; E242-K246 IonicContact OE1-NZ 3.81Å; E242-K246 PolarHBondContact OE1-NZ 3.3Å; E242-T293 WeakPolarHBondContact OE1-CB 3.21Å; E242-T293 PolarHBondContact OE1-OG1 2.65Å
243F97.6Very high96.5Very high0 Ų064.4 Ų64.40%030%0.303CS..Hα-helixtrans-60.1-46176.2-172.7-86.7000110.7F239 V240 K245 K246 Y247 K249 I251 L285 C286 I289 F291F239-F243 VanDerWaalsContact O-CB 3.3Å; F239-F243 WeakPolarHBondContact O-CB 2.94Å; F239-F243 PolarHBondContact O-N 3.3Å; V240-F243 PolarHBondContact O-N 2.89Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.29Å; F243-K246 PolarHBondContact O-N 2.87Å; F243-Y247 HydrophobicContact CD1-CD2 4.22Å; F243-Y247 AromaticContact CD2-CD2 3.5Å; F243-Y247 HydrophobicContact CD2-CD2 3.5Å; F243-Y247 VanDerWaalsContact CD2-CD2 3.5Å; F243-Y247 AromaticContact CD2-CE2 3.67Å; F243-Y247 HydrophobicContact CD2-CE2 3.67Å; F243-Y247 HydrophobicContact CE1-CD2 4.26Å; F243-Y247 AromaticContact CE2-CD2 3.53Å; F243-Y247 HydrophobicContact CE2-CD2 3.53Å; F243-Y247 AromaticContact CE2-CE2 3.79Å; F243-Y247 HydrophobicContact CE2-CE2 3.79Å; F243-Y247 HydrophobicContact CE2-CG 4.33Å; F243-Y247 AromaticContact CG-CD2 3.85Å; F243-Y247 HydrophobicContact CG-CD2 3.85Å; F243-Y247 HydrophobicContact CG-CE2 4.37Å; F243-Y247 AromaticContact CZ-CD2 3.93Å; F243-Y247 HydrophobicContact CZ-CD2 3.93Å; F243-Y247 HydrophobicContact CZ-CG 4.37Å; F243-Y247 WeakPolarHBondContact O-CD2 3.46Å; F243-Y247 PolarHBondContact O-N 2.76Å; F243-K249 WeakPolarHBondContact CD1-O 3.22Å; F243-K249 HydrophobicContact CE1-CB 4.03Å; F243-I251 HydrophobicContact CD1-CG2 3.49Å; F243-I251 VanDerWaalsContact CD1-CG2 3.49Å; F243-I251 HydrophobicContact CE1-CG2 3.36Å; F243-I251 HydrophobicContact CG-CG2 4.32Å; F243-I251 HydrophobicContact CZ-CG2 4.13Å; F243-L285 HydrophobicContact CD2-CD2 3.87Å; F243-L285 HydrophobicContact CE2-CB 4.49Å; F243-L285 HydrophobicContact CE2-CD2 3.95Å; F243-L285 HydrophobicContact CE2-CG 4.49Å; F243-C286 HydrophobicContact CE1-CB 4.23Å; F243-C286 HydrophobicContact CZ-CB 3.94Å; F243-I289 HydrophobicContact CE2-CB 4.49Å; F243-I289 HydrophobicContact CE2-CG2 3.98Å; F243-I289 HydrophobicContact CZ-CB 4.19Å; F243-I289 HydrophobicContact CZ-CD1 4.4Å; F243-I289 HydrophobicContact CZ-CG2 4.03Å; F243-F291 HydrophobicContact CB-CE2 4.25Å; F243-F291 HydrophobicContact CB-CZ 4.41Å; F243-F291 HydrophobicContact CD2-CB 4.08Å; F243-F291 HydrophobicContact CD2-CD1 4.48Å; F243-F291 AromaticContact CD2-CD2 3.64Å; F243-F291 HydrophobicContact CD2-CD2 3.64Å; F243-F291 HydrophobicContact CD2-CE2 4.11Å; F243-F291 AromaticContact CD2-CG 3.82Å; F243-F291 HydrophobicContact CD2-CG 3.82Å; F243-F291 HydrophobicContact CE2-CB 4.15Å; F243-F291 HydrophobicContact CE2-CD2 4.37Å; F243-F291 HydrophobicContact CE2-CG 4.4Å
244Q97.2Very high96.3Very high70 Ų7066.4 Ų66.433%0.32731%0.314SS..Hα-helixtrans-59.3-41.6175.3-173.3176.7900112V240 K241 E242 N248 K249V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.36Å; K241-Q244 PolarHBondContact O-N 2.89Å; E242-Q244 VanDerWaalsContact C-N 3.34Å; E242-Q244 PolarHBondContact O-N 2.88Å; Q244-N248 WeakPolarHBondContact O-CA 3.43Å; Q244-N248 PolarHBondContact O-N 3.1Å; Q244-K249 VanDerWaalsContact CA-O 3.24Å; Q244-K249 WeakPolarHBondContact CA-O 3.03Å
245K97.5Very high96.1Very high189 Ų18967.7 Ų67.782%0.82232%0.321SS*.Hα-helixtrans-67.4-41.5177.1-176.9-179.1176.4-176.70112.7K241 E242 F243K241-K245 WeakPolarHBondContact O-CB 3.34Å; K241-K245 PolarHBondContact O-N 3.05Å; E242-K245 PolarHBondContact O-N 3.3Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.29Å
246K96.7Very high95.9Very high107 Ų10774.6 Ų74.647%0.46535%0.347SS..Hα-helixtrans-74.6-39.6-176.5-79.6179.7170.3173.70112.9E242 F243 F291E242-K246 HydrophobicContact CG-CD 4.15Å; E242-K246 WeakPolarHBondContact O-CB 3.41Å; E242-K246 PolarHBondContact O-N 2.86Å; E242-K246 VanDerWaalsContact OE1-CE 3.24Å; E242-K246 WeakPolarHBondContact OE1-CE 3.38Å; E242-K246 IonicContact OE1-NZ 3.81Å; E242-K246 PolarHBondContact OE1-NZ 3.3Å; F243-K246 PolarHBondContact O-N 2.87Å; K246-F291 HydrophobicContact CD-CE2 4.43Å
247Y96.1Very high95.9Very high82 Ų8274.3 Ų74.332%0.32235%0.346SS..Hα-helixtrans-119.64.4-170.3-50.9-78.4000113.9F243 K249 I289 D290 F291F243-Y247 HydrophobicContact CD1-CD2 4.22Å; F243-Y247 AromaticContact CD2-CD2 3.5Å; F243-Y247 HydrophobicContact CD2-CD2 3.5Å; F243-Y247 VanDerWaalsContact CD2-CD2 3.5Å; F243-Y247 AromaticContact CD2-CE2 3.67Å; F243-Y247 HydrophobicContact CD2-CE2 3.67Å; F243-Y247 HydrophobicContact CE1-CD2 4.26Å; F243-Y247 AromaticContact CE2-CD2 3.53Å; F243-Y247 HydrophobicContact CE2-CD2 3.53Å; F243-Y247 AromaticContact CE2-CE2 3.79Å; F243-Y247 HydrophobicContact CE2-CE2 3.79Å; F243-Y247 HydrophobicContact CE2-CG 4.33Å; F243-Y247 AromaticContact CG-CD2 3.85Å; F243-Y247 HydrophobicContact CG-CD2 3.85Å; F243-Y247 HydrophobicContact CG-CE2 4.37Å; F243-Y247 AromaticContact CZ-CD2 3.93Å; F243-Y247 HydrophobicContact CZ-CD2 3.93Å; F243-Y247 HydrophobicContact CZ-CG 4.37Å; F243-Y247 WeakPolarHBondContact O-CD2 3.46Å; F243-Y247 PolarHBondContact O-N 2.76Å; Y247-K249 PolarHBondContact O-N 2.89Å; Y247-I289 HydrophobicContact CD1-CD1 4.49Å; Y247-I289 HydrophobicContact CD1-CG2 3.49Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.49Å; Y247-I289 HydrophobicContact CD2-CG2 4.13Å; Y247-I289 HydrophobicContact CE1-CG2 3.51Å; Y247-I289 HydrophobicContact CE2-CG2 4.19Å; Y247-I289 HydrophobicContact CG-CD1 4.44Å; Y247-I289 HydrophobicContact CG-CG2 3.8Å; Y247-D290 PolarHBondContact OH-O 3.4Å; Y247-F291 AromaticContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CE2 4.28Å
248N94.9Very high95.8Very high151 Ų15173.2 Ų73.281%0.80734%0.34SS*.SBendtrans53.538.2-177.9-164.338.2000113.5Q244Q244-N248 WeakPolarHBondContact O-CA 3.43Å; Q244-N248 PolarHBondContact O-N 3.1Å
249K94.5Very high95.6Very high77 Ų7771.7 Ų71.734%0.33533%0.333SS..  trans-138.6128.5-176.7-166.4163.9-142.5165.80111.9F243 Q244 Y247 D287F243-K249 WeakPolarHBondContact CD1-O 3.22Å; F243-K249 HydrophobicContact CE1-CB 4.03Å; Q244-K249 VanDerWaalsContact CA-O 3.24Å; Q244-K249 WeakPolarHBondContact CA-O 3.03Å; Y247-K249 PolarHBondContact O-N 2.89Å; K249-D287 WeakPolarHBondContact CD-OD2 3.36Å; K249-D287 WeakPolarHBondContact CE-OD2 3.36Å; K249-D287 IonicContact NZ-OD2 3.32Å; K249-D287 PolarHBondContact NZ-OD2 2.7Å
250D94.9Very high95.5Very high56 Ų5674.9 Ų74.930%0.29934%0.344SS..  trans-93.3118.6177.1-170.1-5.4000109.7R252D250-R252 VanDerWaalsContact C-N 3.35Å; D250-R252 VanDerWaalsContact CG-CZ 3.46Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.39Å; D250-R252 VanDerWaalsContact OD1-CG 3.28Å; D250-R252 WeakPolarHBondContact OD1-CG 3.48Å; D250-R252 IonicContact OD1-CZ 3.31Å; D250-R252 PolarHBondContact OD1-N 2.82Å; D250-R252 IonicContact OD1-NE 2.67Å; D250-R252 PolarHBondContact OD1-NE 2.65Å; D250-R252 IonicContact OD1-NH1 2.75Å; D250-R252 IonicContact OD1-NH2 2.75Å; D250-R252 IonicContact OD2-CZ 3.51Å; D250-R252 IonicContact OD2-NE 3.51Å; D250-R252 IonicContact OD2-NH1 3.69Å; D250-R252 PolarHBondContact OD2-NH1 3.4Å; D250-R252 IonicContact OD2-NH2 2.66Å; D250-R252 PolarHBondContact OD2-NH2 3.03Å
251I95.6Very high95.5Very high0 Ų074.7 Ų74.70%034%0.344CS..  trans-89-1.7-178.665.4172.9000112.9V240 F243 S253 N254 A257 L258 L261 L285 C286V240-I251 HydrophobicContact CG2-CD1 4.09Å; V240-I251 HydrophobicContact CG2-CG1 4.01Å; F243-I251 HydrophobicContact CD1-CG2 3.49Å; F243-I251 VanDerWaalsContact CD1-CG2 3.49Å; F243-I251 HydrophobicContact CE1-CG2 3.36Å; F243-I251 HydrophobicContact CG-CG2 4.32Å; F243-I251 HydrophobicContact CZ-CG2 4.13Å; I251-S253 PolarHBondContact O-N 3.42Å; I251-S253 VanDerWaalsContact O-N 3.14Å; I251-N254 PolarHBondContact O-N 3.29Å; I251-A257 HydrophobicContact CB-CB 4.22Å; I251-L258 HydrophobicContact CG1-CD2 4.35Å; I251-L261 HydrophobicContact CD1-CD2 3.79Å; I251-L285 HydrophobicContact CD1-CD2 4.23Å; I251-C286 HydrophobicContact CG2-CB 3.69Å
252R93.2Very high95.4Very high131 Ų13169.1 Ų69.149%0.49432%0.319SS..THydrogen-bonded Turntrans-59.8-27.5-174.2-76.4179.5-111.5120.82.4114.1V240 D250 L258V240-R252 HydrophobicContact CG1-CG 3.68Å; D250-R252 VanDerWaalsContact C-N 3.35Å; D250-R252 VanDerWaalsContact CG-CZ 3.46Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.39Å; D250-R252 VanDerWaalsContact OD1-CG 3.28Å; D250-R252 WeakPolarHBondContact OD1-CG 3.48Å; D250-R252 IonicContact OD1-CZ 3.31Å; D250-R252 PolarHBondContact OD1-N 2.82Å; D250-R252 IonicContact OD1-NE 2.67Å; D250-R252 PolarHBondContact OD1-NE 2.65Å; D250-R252 IonicContact OD1-NH1 2.75Å; D250-R252 IonicContact OD1-NH2 2.75Å; D250-R252 IonicContact OD2-CZ 3.51Å; D250-R252 IonicContact OD2-NE 3.51Å; D250-R252 IonicContact OD2-NH1 3.69Å; D250-R252 PolarHBondContact OD2-NH1 3.4Å; D250-R252 IonicContact OD2-NH2 2.66Å; D250-R252 PolarHBondContact OD2-NH2 3.03Å; R252-L258 WeakPolarHBondContact O-CD1 3.32Å
253S91.4Very high95.3Very high110 Ų11069.7 Ų69.777%0.76933%0.325SS*.THydrogen-bonded Turntrans-80.9-17.6175.156.60000113.5I251 K255I251-S253 PolarHBondContact O-N 3.42Å; I251-S253 VanDerWaalsContact O-N 3.14Å; S253-K255 PolarHBondContact O-N 3.29Å
254N93.8Very high95.3Very high55 Ų5570.7 Ų70.729%0.29433%0.333SS..  trans-93.394.3-178.6-172.8-28.5000110.5I251 R256 A257 L258I251-N254 PolarHBondContact O-N 3.29Å; N254-R256 VanDerWaalsContact C-N 3.26Å; N254-R256 PolarHBondContact O-N 2.86Å; N254-R256 PolarHBondContact OD1-N 3.2Å; N254-A257 HydrophobicContact CB-CB 3.86Å; N254-A257 PolarHBondContact O-N 2.82Å; N254-A257 VanDerWaalsContact O-N 3.15Å; N254-A257 PolarHBondContact OD1-N 3.17Å; N254-L258 PolarHBondContact O-N 3.28Å
255K93.1Very high95.3Very high102 Ų10267.4 Ų67.444%0.44332%0.318SS..Hα-helixtrans-55.6-38.1-178.2-62.5-173.3179.5-169.40113P61 T62 P89 S253 R259P61-K255 HydrophobicContact CB-CB 4.39Å; P61-K255 HydrophobicContact CG-CB 3.91Å; T62-K255 HydrophobicContact CG2-CD 3.5Å; T62-K255 VanDerWaalsContact CG2-NZ 3.32Å; P89-K255 HydrophobicContact CB-CD 4.4Å; P89-K255 PolarHBondContact O-NZ 2.9Å; S253-K255 PolarHBondContact O-N 3.29Å; K255-R259 WeakPolarHBondContact O-CB 3.47Å; K255-R259 PolarHBondContact O-N 3.27Å
256R93.8Very high95.3Very high145 Ų14559.4 Ų59.455%0.54728%0.283SS..Hα-helixtrans-66.9-48.2177.7176.3167.8-171.2-1354.2111.2A58 N254 R259 R260A58-R256 VanDerWaalsContact O-CG 3.31Å; A58-R256 WeakPolarHBondContact O-CG 3.33Å; N254-R256 VanDerWaalsContact C-N 3.26Å; N254-R256 PolarHBondContact O-N 2.86Å; N254-R256 PolarHBondContact OD1-N 3.2Å; R256-R259 PolarHBondContact O-N 3.43Å; R256-R260 WeakPolarHBondContact O-CG 3.46Å; R256-R260 PolarHBondContact O-N 2.87Å
257A95.8Very high95.4Very high1 Ų163 Ų631%0.00829%0.294CS..Hα-helixtrans-60.7-48.3177.800000111.2I251 N254 R259 R260 L261 L285 C286I251-A257 HydrophobicContact CB-CB 4.22Å; N254-A257 HydrophobicContact CB-CB 3.86Å; N254-A257 PolarHBondContact O-N 2.82Å; N254-A257 VanDerWaalsContact O-N 3.15Å; N254-A257 PolarHBondContact OD1-N 3.17Å; A257-R259 VanDerWaalsContact C-N 3.34Å; A257-R259 PolarHBondContact O-N 3.4Å; A257-R260 PolarHBondContact O-N 3Å; A257-L261 PolarHBondContact O-N 3.14Å; A257-L285 HydrophobicContact CB-CD1 4.15Å; A257-L285 HydrophobicContact CB-CG 4.48Å; A257-L285 VanDerWaalsContact CB-O 3.23Å; A257-L285 WeakPolarHBondContact CB-O 3.41Å; A257-L285 WeakPolarHBondContact O-CD1 3.32Å; A257-C286 HydrophobicContact CB-CB 4.39Å
258L95.5Very high95.5Very high45 Ų4559.2 Ų59.224%0.23628%0.28CS..Hα-helixtrans-57.3-44.7176.3-85.1178000112.5V236 V240 I251 R252 N254 L261 R262V236-L258 HydrophobicContact CG1-CD2 4.19Å; V240-L258 HydrophobicContact CG2-CD2 3.78Å; I251-L258 HydrophobicContact CG1-CD2 4.35Å; R252-L258 WeakPolarHBondContact O-CD1 3.32Å; N254-L258 PolarHBondContact O-N 3.28Å; L258-L261 PolarHBondContact O-N 3.02Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 3.35Å
259R95Very high95.6Very high9 Ų952.9 Ų52.93%0.03425%0.245CC..Hα-helixtrans-66-40.9179.7-175.364-134-166.3-1.7112.1Y39 V57 K255 R256 A257 L261 R262 T263Y39-R259 PolarHBondContact OH-NH1 2.99Å; Y39-R259 PolarHBondContact OH-NH2 3.33Å; V57-R259 HydrophobicContact CB-CG 4.46Å; V57-R259 HydrophobicContact CG1-CG 3.86Å; V57-R259 HydrophobicContact CG2-CG 3.97Å; K255-R259 WeakPolarHBondContact O-CB 3.47Å; K255-R259 PolarHBondContact O-N 3.27Å; R256-R259 PolarHBondContact O-N 3.43Å; A257-R259 VanDerWaalsContact C-N 3.34Å; A257-R259 PolarHBondContact O-N 3.4Å; R259-L261 VanDerWaalsContact C-N 3.35Å; R259-R262 PolarHBondContact O-N 2.82Å; R259-T263 PolarHBondContact NE-OG1 3.33Å; R259-T263 PolarHBondContact O-N 2.74Å; R259-T263 PolarHBondContact O-OG1 2.88Å
260R95.9Very high95.8Very high66 Ų6655.4 Ų55.425%0.24925%0.252CS..Hα-helixtrans-61.8-43.7174.9-69.9178.471.8-156.40.1111.3A58 R256 A257 T263 A264 I282 D283 S284 L285A58-R260 HydrophobicContact CB-CG 4.02Å; R256-R260 WeakPolarHBondContact O-CG 3.46Å; R256-R260 PolarHBondContact O-N 2.87Å; A257-R260 PolarHBondContact O-N 3Å; R260-T263 PolarHBondContact O-N 2.7Å; R260-A264 PolarHBondContact O-N 2.89Å; R260-I282 HydrophobicContact CB-CG2 4.46Å; R260-D283 VanDerWaalsContact CZ-O 3.3Å; R260-D283 PolarHBondContact NH1-O 3.39Å; R260-D283 PolarHBondContact NH2-O 3.03Å; R260-S284 PolarHBondContact NH1-O 3.18Å; R260-L285 HydrophobicContact CB-CD1 4.21Å
261L97.4Very high95.9Very high0 Ų054.9 Ų54.90%025%0.251CS..Hα-helixtrans-61.6-44.9175179.260.9000111.8V236 F239 V240 I251 A257 L258 R259 T263 A264 C265 L280 I282 L285 F291V236-L261 HydrophobicContact CG1-CD2 4.34Å; F239-L261 HydrophobicContact CB-CD1 3.91Å; F239-L261 HydrophobicContact CB-CD2 4.03Å; F239-L261 HydrophobicContact CB-CG 4.48Å; F239-L261 HydrophobicContact CD2-CD1 4.48Å; F239-L261 HydrophobicContact CG-CD1 4.48Å; V240-L261 HydrophobicContact CG2-CD2 3.84Å; I251-L261 HydrophobicContact CD1-CD2 3.79Å; A257-L261 PolarHBondContact O-N 3.14Å; L258-L261 PolarHBondContact O-N 3.02Å; R259-L261 VanDerWaalsContact C-N 3.35Å; L261-T263 PolarHBondContact O-N 2.53Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.27Å; L261-C265 PolarHBondContact O-N 3.08Å; L261-C265 PolarHBondContact O-SG 3.09Å; L261-L280 HydrophobicContact CD1-CD2 4.44Å; L261-I282 HydrophobicContact CB-CD1 4.42Å; L261-I282 HydrophobicContact CD1-CD1 3.91Å; L261-L285 HydrophobicContact CB-CD1 4.38Å; L261-F291 HydrophobicContact CD1-CD1 4.36Å; L261-F291 HydrophobicContact CD1-CE1 4.16Å
262R96.5Very high96.1Very high20 Ų2055 Ų558%0.07525%0.252CS..Hα-helixtrans-59.2-46.8176.6-178.3-179.1-66.9-78-3.3112.1E229 N233 V236 L258 R259 A264 C265 E266E229-R262 IonicContact OE2-NH1 2.97Å; N233-R262 PolarHBondContact OD1-NH1 3.05Å; N233-R262 PolarHBondContact OD1-NH2 3.26Å; V236-R262 HydrophobicContact CG2-CB 3.92Å; V236-R262 HydrophobicContact CG2-CG 4.26Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 3.35Å; R259-R262 PolarHBondContact O-N 2.82Å; R262-A264 VanDerWaalsContact C-N 3.27Å; R262-A264 PolarHBondContact O-N 3.02Å; R262-C265 WeakPolarHBondContact O-CB 3.4Å; R262-C265 PolarHBondContact O-N 2.92Å; R262-C265 VanDerWaalsContact O-N 3.08Å; R262-E266 PolarHBondContact O-N 2.91Å
263T95.3Very high96.3Very high48 Ų4850.1 Ų50.129%0.29424%0.238SC..Hα-helixtrans-60.1-39.1176.5-61.70000111.6R259 R260 L261 R267R259-T263 PolarHBondContact NE-OG1 3.33Å; R259-T263 PolarHBondContact O-N 2.74Å; R259-T263 PolarHBondContact O-OG1 2.88Å; R260-T263 PolarHBondContact O-N 2.7Å; L261-T263 PolarHBondContact O-N 2.53Å; T263-R267 PolarHBondContact O-N 2.82Å; T263-R267 VanDerWaalsContact O-N 3.14Å
264A97.4Very high96.6Very high21 Ų2149.5 Ų49.517%0.17423%0.234CC..Hα-helixtrans-67-37.6173.800000112.4R260 L261 R262 R267 A268 L280 I282R260-A264 PolarHBondContact O-N 2.89Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.27Å; R262-A264 VanDerWaalsContact C-N 3.27Å; R262-A264 PolarHBondContact O-N 3.02Å; A264-R267 PolarHBondContact O-N 3.49Å; A264-A268 VanDerWaalsContact O-CB 3.3Å; A264-A268 WeakPolarHBondContact O-CB 3.15Å; A264-A268 PolarHBondContact O-N 2.99Å; A264-L280 HydrophobicContact CB-CD2 4.2Å; A264-I282 HydrophobicContact CB-CD1 3.55Å; A264-I282 HydrophobicContact CB-CG1 3.95Å
265C98.1Very high96.8Very high0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-64.7-46.1175.4-66.80000112M235 V236 L261 R262 R267 A268 K269M235-C265 HydrophobicContact CB-CB 3.91Å; M235-C265 HydrophobicContact CE-CB 4.25Å; V236-C265 HydrophobicContact CG2-CB 4.13Å; L261-C265 PolarHBondContact O-N 3.08Å; L261-C265 PolarHBondContact O-SG 3.09Å; R262-C265 WeakPolarHBondContact O-CB 3.4Å; R262-C265 PolarHBondContact O-N 2.92Å; R262-C265 VanDerWaalsContact O-N 3.08Å; C265-R267 VanDerWaalsContact C-N 3.3Å; C265-R267 PolarHBondContact O-N 2.81Å; C265-A268 PolarHBondContact O-N 3.16Å; C265-K269 WeakPolarHBondContact O-CB 3.19Å; C265-K269 PolarHBondContact O-N 2.89Å
266E97.1Very high97Very high21 Ų2147.8 Ų47.810%0.09824%0.243CC..Hα-helixtrans-57.3-46175.9-169.6-144.5156.100110.6K54 R262 K269 R270K54-E266 IonicContact NZ-OE1 2.76Å; K54-E266 IonicContact NZ-OE2 2.92Å; K54-E266 PolarHBondContact NZ-OE2 2.91Å; K54-E266 VanDerWaalsContact NZ-OE2 3.14Å; R262-E266 PolarHBondContact O-N 2.91Å; E266-K269 WeakPolarHBondContact O-CB 3.4Å; E266-K269 PolarHBondContact O-N 2.78Å; E266-R270 WeakPolarHBondContact O-CG 3.35Å; E266-R270 PolarHBondContact O-N 2.98Å; E266-R270 IonicContact OE1-CZ 3.19Å; E266-R270 IonicContact OE1-NE 2.78Å; E266-R270 PolarHBondContact OE1-NE 3.26Å; E266-R270 IonicContact OE1-NH2 2.8Å; E266-R270 PolarHBondContact OE1-NH2 2.86Å
267R97.2Very high97.2Very high182 Ų18246.8 Ų46.869%0.68725%0.245SC*.Hα-helixtrans-62-47.8177-175.4-179-71.6-176.5-3.4111.2T263 A264 C265 K269 R270 T271T263-R267 PolarHBondContact O-N 2.82Å; T263-R267 VanDerWaalsContact O-N 3.14Å; A264-R267 PolarHBondContact O-N 3.49Å; C265-R267 VanDerWaalsContact C-N 3.3Å; C265-R267 PolarHBondContact O-N 2.81Å; R267-K269 PolarHBondContact O-N 2.86Å; R267-R270 PolarHBondContact O-N 3.32Å; R267-T271 PolarHBondContact O-N 2.81Å; R267-T271 PolarHBondContact O-OG1 3.2Å
268A98.3Very high97.3Very high3 Ų347.9 Ų47.93%0.02525%0.251CS..Hα-helixtrans-60.5-43.8178.100000111.7M235 A264 C265 R270 T271 L272 T278 L280 I295M235-A268 HydrophobicContact CE-CB 3.79Å; A264-A268 VanDerWaalsContact O-CB 3.3Å; A264-A268 WeakPolarHBondContact O-CB 3.15Å; A264-A268 PolarHBondContact O-N 2.99Å; C265-A268 PolarHBondContact O-N 3.16Å; A268-R270 PolarHBondContact O-N 3Å; A268-T271 PolarHBondContact O-N 2.85Å; A268-L272 WeakPolarHBondContact O-CB 3.19Å; A268-L272 VanDerWaalsContact O-CG 3.28Å; A268-L272 WeakPolarHBondContact O-CG 3.17Å; A268-L272 PolarHBondContact O-N 2.85Å; A268-T278 HydrophobicContact CB-CG2 3.67Å; A268-L280 HydrophobicContact CB-CD1 3.7Å; A268-L280 HydrophobicContact CB-CG 4.09Å; A268-I295 HydrophobicContact CB-CG2 4.48Å
269K98.4Very high97.4Very high18 Ų1850.1 Ų50.18%0.07826%0.264CS..Hα-helixtrans-54.4-49.7173.7178.7-174.572.3-160.10111.3G228 F231 D232 M235 C265 E266 R267 T271 L272 S273 F300G228-K269 PolarHBondContact O-NZ 3.28Å; F231-K269 HydrophobicContact CB-CD 4.09Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.35Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.42Å; D232-K269 IonicContact OD1-NZ 3.99Å; D232-K269 PolarHBondContact OD1-NZ 3.12Å; D232-K269 IonicContact OD2-NZ 3.53Å; D232-K269 PolarHBondContact OD2-NZ 2.87Å; M235-K269 HydrophobicContact SD-CB 4.02Å; C265-K269 WeakPolarHBondContact O-CB 3.19Å; C265-K269 PolarHBondContact O-N 2.89Å; E266-K269 WeakPolarHBondContact O-CB 3.4Å; E266-K269 PolarHBondContact O-N 2.78Å; R267-K269 PolarHBondContact O-N 2.86Å; K269-T271 PolarHBondContact O-N 2.72Å; K269-L272 PolarHBondContact O-N 3.09Å; K269-S273 PolarHBondContact O-N 3.4Å; K269-F300 HydrophobicContact CD-CE2 4.42Å; K269-F300 HydrophobicContact CD-CZ 4.3Å; K269-F300 HydrophobicContact CG-CE2 4Å; K269-F300 HydrophobicContact CG-CZ 3.82Å
270R97.9Very high97.5Very high130 Ų13049.9 Ų49.949%0.49126%0.263SS..Hα-helixtrans-60.5-44.1177.5-70176.7-177.9-110.84.6111.7Y13 E266 R267 A268 L272 S273Y13-R270 VanDerWaalsContact CE2-NH2 3.3Å; Y13-R270 PolarHBondContact OH-NH2 2.8Å; E266-R270 WeakPolarHBondContact O-CG 3.35Å; E266-R270 PolarHBondContact O-N 2.98Å; E266-R270 IonicContact OE1-CZ 3.19Å; E266-R270 IonicContact OE1-NE 2.78Å; E266-R270 PolarHBondContact OE1-NE 3.26Å; E266-R270 IonicContact OE1-NH2 2.8Å; E266-R270 PolarHBondContact OE1-NH2 2.86Å; R267-R270 PolarHBondContact O-N 3.32Å; A268-R270 PolarHBondContact O-N 3Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-L272 PolarHBondContact O-N 3.27Å; R270-S273 WeakPolarHBondContact O-CB 3.1Å; R270-S273 PolarHBondContact O-N 2.87Å
271T98.2Very high97.6Very high46 Ų4652.5 Ų52.528%0.28228%0.278SS..Hα-helixtrans-64.5-37.9177.5-58.60000112.2R267 A268 K269 S273 S274 S275R267-T271 PolarHBondContact O-N 2.81Å; R267-T271 PolarHBondContact O-OG1 3.2Å; A268-T271 PolarHBondContact O-N 2.85Å; K269-T271 PolarHBondContact O-N 2.72Å; T271-S273 PolarHBondContact O-N 2.83Å; T271-S274 PolarHBondContact O-N 2.92Å; T271-S274 VanDerWaalsContact O-N 3.12Å; T271-S274 PolarHBondContact O-OG 3.24Å; T271-S275 WeakPolarHBondContact O-CB 3.24Å; T271-S275 PolarHBondContact O-N 3.3Å
272L98.6Very high97.5Very high2 Ų253 Ų531%0.0128%0.281CS..Hα-helixtrans-66.3-19.7177.6-72.5177.6000113.4A268 K269 R270 S274 S275 T278 I295 R297 F300A268-L272 WeakPolarHBondContact O-CB 3.19Å; A268-L272 VanDerWaalsContact O-CG 3.28Å; A268-L272 WeakPolarHBondContact O-CG 3.17Å; A268-L272 PolarHBondContact O-N 2.85Å; K269-L272 PolarHBondContact O-N 3.09Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-L272 PolarHBondContact O-N 3.27Å; L272-S274 PolarHBondContact O-N 2.95Å; L272-S275 CarbonylContact C-O 3.58Å; L272-S275 WeakPolarHBondContact CA-O 3.23Å; L272-T278 HydrophobicContact CD2-CG2 4.02Å; L272-T278 HydrophobicContact CG-CG2 3.94Å; L272-I295 HydrophobicContact CD1-CG1 4.42Å; L272-I295 HydrophobicContact CD1-CG2 4.07Å; L272-R297 HydrophobicContact CD2-CB 4.22Å; L272-R297 VanDerWaalsContact O-CZ 3.3Å; L272-R297 PolarHBondContact O-NE 3.25Å; L272-R297 PolarHBondContact O-NH2 3.43Å; L272-F300 HydrophobicContact CD1-CB 3.58Å; L272-F300 HydrophobicContact CD1-CD1 4.44Å; L272-F300 HydrophobicContact CD1-CG 3.99Å
273S97.8Very high97.5Very high29 Ų2956.5 Ų56.520%0.20330%0.301CS..THydrogen-bonded Turntrans-66.9-24.2172.8-64.10000113.1K269 R270 T271 P342K269-S273 PolarHBondContact O-N 3.4Å; R270-S273 WeakPolarHBondContact O-CB 3.1Å; R270-S273 PolarHBondContact O-N 2.87Å; T271-S273 PolarHBondContact O-N 2.83Å; S273-P342 VanDerWaalsContact O-CG 3.28Å; S273-P342 WeakPolarHBondContact O-CG 3.45Å
274S97Very high97.6Very high97 Ų9757.2 Ų57.268%0.67831%0.308SS*.THydrogen-bonded Turntrans-110.8-29.8175.561.20000113.3T271 L272 R297T271-S274 PolarHBondContact O-N 2.92Å; T271-S274 VanDerWaalsContact O-N 3.12Å; T271-S274 PolarHBondContact O-OG 3.24Å; L272-S274 PolarHBondContact O-N 2.95Å; S274-R297 PolarHBondContact O-NH2 2.74Å
275S97.8Very high97.5Very high47 Ų4756.5 Ų56.533%0.32930%0.301SS..  trans-110.3151.7-174.4-56.70000112.9T271 L272 Q277 R297T271-S275 WeakPolarHBondContact O-CB 3.24Å; T271-S275 PolarHBondContact O-N 3.3Å; L272-S275 CarbonylContact C-O 3.58Å; L272-S275 WeakPolarHBondContact CA-O 3.23Å; S275-Q277 VanDerWaalsContact C-N 3.34Å; S275-R297 PolarHBondContact O-NE 2.8Å; S275-R297 PolarHBondContact O-NH2 3.17Å
276A98.1Very high97.3Very high74 Ų7456.7 Ų56.761%0.61230%0.302SS*.SBendtrans-77.3-19.7179.300000113.5T296 R297A276-T296 CarbonylContact O-C 3.6Å; A276-T296 WeakPolarHBondContact O-CA 3.24Å; A276-R297 PolarHBondContact O-N 2.79Å
277Q98.2Very high97.1Very high124 Ų12460.8 Ų60.858%0.57933%0.325SS*.EExtended strand (participates in β ladder)trans-153.3162.8176.266.3-179.17.500110.4S275 I295 T296S275-Q277 VanDerWaalsContact C-N 3.34Å; Q277-I295 CarbonylContact C-O 3.5Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.22Å; Q277-T296 HydrophobicContact CB-CG2 4.3Å
278T98.4Very high97Very high24 Ų2454.6 Ų54.615%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-154.4156.4173.3-167.50000111A268 L272 V294 I295A268-T278 HydrophobicContact CB-CG2 3.67Å; L272-T278 HydrophobicContact CD2-CG2 4.02Å; L272-T278 HydrophobicContact CG-CG2 3.94Å; T278-V294 WeakPolarHBondContact O-CG2 3.39Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 3.27Å; T278-I295 PolarHBondContact O-N 3.18Å
279N97.6Very high96.9Very high92 Ų9256.6 Ų56.649%0.49233%0.328SS..EExtended strand (participates in β ladder)trans-94.5141.6176.7-61.3-12000110E281 T293N279-E281 HydrophobicContact CB-CG 3.93Å; N279-E281 WeakPolarHBondContact CB-OE1 3.27Å; N279-E281 PolarHBondContact ND2-OE1 2.66Å; N279-E281 VanDerWaalsContact ND2-OE1 3.12Å; N279-T293 WeakPolarHBondContact CA-O 3.33Å
280L97.2Very high96.8Very high3 Ų359 Ų592%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-104.8116.7162.3-74.180.8000107.4F239 L261 A264 A268 Y292 T293 I295F239-L280 HydrophobicContact CD2-CD2 3.81Å; F239-L280 HydrophobicContact CE2-CD1 3.96Å; F239-L280 HydrophobicContact CE2-CD2 3.44Å; F239-L280 VanDerWaalsContact CE2-CD2 3.44Å; F239-L280 HydrophobicContact CE2-CG 4.36Å; F239-L280 HydrophobicContact CZ-CD1 3.69Å; F239-L280 HydrophobicContact CZ-CD2 3.88Å; F239-L280 HydrophobicContact CZ-CG 4.4Å; L261-L280 HydrophobicContact CD1-CD2 4.44Å; A264-L280 HydrophobicContact CB-CD2 4.2Å; A268-L280 HydrophobicContact CB-CD1 3.7Å; A268-L280 HydrophobicContact CB-CG 4.09Å; L280-Y292 WeakPolarHBondContact O-CA 3.46Å; L280-T293 HydrophobicContact CB-CG2 3.93Å; L280-T293 PolarHBondContact N-O 3.29Å; L280-T293 PolarHBondContact O-N 3.12Å; L280-I295 HydrophobicContact CD1-CB 4.46Å; L280-I295 HydrophobicContact CD1-CG2 3.52Å
281E96.3Very high96.8Very high122 Ų12252.8 Ų52.857%0.5732%0.318SS*.EExtended strand (participates in β ladder)trans-125109.4-177.9-53.2-171.9-177.600107.2N279 Y292N279-E281 HydrophobicContact CB-CG 3.93Å; N279-E281 WeakPolarHBondContact CB-OE1 3.27Å; N279-E281 PolarHBondContact ND2-OE1 2.66Å; N279-E281 VanDerWaalsContact ND2-OE1 3.12Å; E281-Y292 HydrophobicContact CB-CD1 3.74Å; E281-Y292 HydrophobicContact CB-CE1 3.84Å; E281-Y292 HydrophobicContact CG-CD1 3.81Å; E281-Y292 HydrophobicContact CG-CE1 4.28Å
282I97Very high96.8Very high10 Ų1055.7 Ų55.75%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-131.4101.8-177.6-44.2174.5000109.7R260 L261 A264 L285 F291R260-I282 HydrophobicContact CB-CG2 4.46Å; L261-I282 HydrophobicContact CB-CD1 4.42Å; L261-I282 HydrophobicContact CD1-CD1 3.91Å; A264-I282 HydrophobicContact CB-CD1 3.55Å; A264-I282 HydrophobicContact CB-CG1 3.95Å; I282-L285 HydrophobicContact CB-CB 4.36Å; I282-L285 HydrophobicContact CD1-CD1 4.22Å; I282-L285 HydrophobicContact CD1-CD2 4.48Å; I282-L285 HydrophobicContact CG2-CB 4.11Å; I282-L285 HydrophobicContact CG2-CD1 3.89Å; I282-F291 PolarHBondContact N-O 2.71Å; I282-F291 PolarHBondContact O-N 3.33Å
283D96.3Very high96.7Very high94 Ų9456.5 Ų56.550%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-67.9136.7178.9-51.4-33.4000111R260 L285 D290 Y292R260-D283 VanDerWaalsContact CZ-O 3.3Å; R260-D283 PolarHBondContact NH1-O 3.39Å; R260-D283 PolarHBondContact NH2-O 3.03Å; D283-L285 VanDerWaalsContact C-N 3.29Å; D283-L285 PolarHBondContact O-N 3.13Å; D283-D290 WeakPolarHBondContact CA-OD1 3.11Å; D283-Y292 PolarHBondContact OD1-OH 3.21Å
284S96Very high96.7Very high62 Ų6258.8 Ų58.843%0.43434%0.342SS..EExtended strand (participates in β ladder)trans47.250.6178-163.60000112.2R260 C286 G288 I289 D290R260-S284 PolarHBondContact NH1-O 3.18Å; S284-C286 PolarHBondContact O-N 3.02Å; S284-G288 WeakPolarHBondContact OG-CA 3.45Å; S284-I289 CarbonylContact C-O 3.58Å; S284-D290 PolarHBondContact N-OD1 3.09Å
285L96Very high96.7Very high6 Ų654.3 Ų54.33%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-59.7-47.1-17717561.2000110.9F243 I251 A257 R260 L261 I282 D283 I289 F291F243-L285 HydrophobicContact CD2-CD2 3.87Å; F243-L285 HydrophobicContact CE2-CB 4.49Å; F243-L285 HydrophobicContact CE2-CD2 3.95Å; F243-L285 HydrophobicContact CE2-CG 4.49Å; I251-L285 HydrophobicContact CD1-CD2 4.23Å; A257-L285 HydrophobicContact CB-CD1 4.15Å; A257-L285 HydrophobicContact CB-CG 4.48Å; A257-L285 VanDerWaalsContact CB-O 3.23Å; A257-L285 WeakPolarHBondContact CB-O 3.41Å; A257-L285 WeakPolarHBondContact O-CD1 3.32Å; R260-L285 HydrophobicContact CB-CD1 4.21Å; L261-L285 HydrophobicContact CB-CD1 4.38Å; I282-L285 HydrophobicContact CB-CB 4.36Å; I282-L285 HydrophobicContact CD1-CD1 4.22Å; I282-L285 HydrophobicContact CD1-CD2 4.48Å; I282-L285 HydrophobicContact CG2-CB 4.11Å; I282-L285 HydrophobicContact CG2-CD1 3.89Å; D283-L285 VanDerWaalsContact C-N 3.29Å; D283-L285 PolarHBondContact O-N 3.13Å; L285-I289 PolarHBondContact N-O 3.08Å; L285-F291 HydrophobicContact CB-CB 4.08Å; L285-F291 HydrophobicContact CD2-CB 3.61Å; L285-F291 HydrophobicContact CD2-CD1 3.79Å; L285-F291 HydrophobicContact CD2-CG 3.92Å; L285-F291 HydrophobicContact CG-CB 4.5Å
286C94.6Very high96.8Very high5 Ų554.7 Ų54.73%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-145.6125.3176.6-161.80000110F243 I251 A257 S284 G288 I289F243-C286 HydrophobicContact CE1-CB 4.23Å; F243-C286 HydrophobicContact CZ-CB 3.94Å; I251-C286 HydrophobicContact CG2-CB 3.69Å; A257-C286 HydrophobicContact CB-CB 4.39Å; S284-C286 PolarHBondContact O-N 3.02Å; C286-G288 VanDerWaalsContact C-N 3.34Å; C286-G288 PolarHBondContact O-N 2.92Å; C286-I289 VanDerWaalsContact O-CB 3.27Å; C286-I289 WeakPolarHBondContact O-CB 3.37Å; C286-I289 WeakPolarHBondContact O-CG1 3.3Å; C286-I289 PolarHBondContact O-N 3.07Å
287D92Very high96.8Very high106 Ų10654.1 Ų54.157%0.56729%0.293SS*.THydrogen-bonded Turntrans51.644.9174.6-51.4-65.4000114.8K249 I289K249-D287 WeakPolarHBondContact CD-OD2 3.36Å; K249-D287 WeakPolarHBondContact CE-OD2 3.36Å; K249-D287 IonicContact NZ-OD2 3.32Å; K249-D287 PolarHBondContact NZ-OD2 2.7Å; D287-I289 PolarHBondContact O-N 2.81Å
288G94.4Very high96.8Very high53 Ų5351.4 Ų51.455%0.54629%0.292SS..THydrogen-bonded Turntrans79.5-2179.500000114.7S284 C286S284-G288 WeakPolarHBondContact OG-CA 3.45Å; C286-G288 VanDerWaalsContact C-N 3.34Å; C286-G288 PolarHBondContact O-N 2.92Å
289I96.5Very high96.8Very high45 Ų4554.1 Ų54.123%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-85.7118-179-57.1174.5000109.6F243 Y247 S284 L285 C286 D287F243-I289 HydrophobicContact CE2-CB 4.49Å; F243-I289 HydrophobicContact CE2-CG2 3.98Å; F243-I289 HydrophobicContact CZ-CB 4.19Å; F243-I289 HydrophobicContact CZ-CD1 4.4Å; F243-I289 HydrophobicContact CZ-CG2 4.03Å; Y247-I289 HydrophobicContact CD1-CD1 4.49Å; Y247-I289 HydrophobicContact CD1-CG2 3.49Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.49Å; Y247-I289 HydrophobicContact CD2-CG2 4.13Å; Y247-I289 HydrophobicContact CE1-CG2 3.51Å; Y247-I289 HydrophobicContact CE2-CG2 4.19Å; Y247-I289 HydrophobicContact CG-CD1 4.44Å; Y247-I289 HydrophobicContact CG-CG2 3.8Å; S284-I289 CarbonylContact C-O 3.58Å; L285-I289 PolarHBondContact N-O 3.08Å; C286-I289 VanDerWaalsContact O-CB 3.27Å; C286-I289 WeakPolarHBondContact O-CB 3.37Å; C286-I289 WeakPolarHBondContact O-CG1 3.3Å; C286-I289 PolarHBondContact O-N 3.07Å; D287-I289 PolarHBondContact O-N 2.81Å
290D97.2Very high96.9Very high67 Ų6750 Ų5036%0.35828%0.277SS..EExtended strand (participates in β ladder)trans-72.8139.2169-54.1-30.8000110.5Y247 D283 S284 Y292Y247-D290 PolarHBondContact OH-O 3.4Å; D283-D290 WeakPolarHBondContact CA-OD1 3.11Å; S284-D290 PolarHBondContact N-OD1 3.09Å; D290-Y292 HydrophobicContact CB-CD2 3.94Å; D290-Y292 HydrophobicContact CB-CE2 3.28Å
291F97.7Very high96.9Very high0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-113.8106.5176.2-173.3-131000110.7F239 F243 K246 Y247 L261 I282 L285 T293F239-F291 HydrophobicContact CB-CE1 4.02Å; F239-F291 HydrophobicContact CB-CZ 4.26Å; F239-F291 HydrophobicContact CD1-CE1 4.2Å; F239-F291 HydrophobicContact CD1-CZ 4.09Å; F239-F291 HydrophobicContact CG-CE1 4.3Å; F243-F291 HydrophobicContact CB-CE2 4.25Å; F243-F291 HydrophobicContact CB-CZ 4.41Å; F243-F291 HydrophobicContact CD2-CB 4.08Å; F243-F291 HydrophobicContact CD2-CD1 4.48Å; F243-F291 AromaticContact CD2-CD2 3.64Å; F243-F291 HydrophobicContact CD2-CD2 3.64Å; F243-F291 HydrophobicContact CD2-CE2 4.11Å; F243-F291 AromaticContact CD2-CG 3.82Å; F243-F291 HydrophobicContact CD2-CG 3.82Å; F243-F291 HydrophobicContact CE2-CB 4.15Å; F243-F291 HydrophobicContact CE2-CD2 4.37Å; F243-F291 HydrophobicContact CE2-CG 4.4Å; K246-F291 HydrophobicContact CD-CE2 4.43Å; Y247-F291 AromaticContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CE2 4.28Å; L261-F291 HydrophobicContact CD1-CD1 4.36Å; L261-F291 HydrophobicContact CD1-CE1 4.16Å; I282-F291 PolarHBondContact N-O 2.71Å; I282-F291 PolarHBondContact O-N 3.33Å; L285-F291 HydrophobicContact CB-CB 4.08Å; L285-F291 HydrophobicContact CD2-CB 3.61Å; L285-F291 HydrophobicContact CD2-CD1 3.79Å; L285-F291 HydrophobicContact CD2-CG 3.92Å; L285-F291 HydrophobicContact CG-CB 4.5Å; F291-T293 HydrophobicContact CD1-CG2 4.44Å; F291-T293 HydrophobicContact CE1-CG2 3.71Å; F291-T293 HydrophobicContact CE2-CG2 4.29Å; F291-T293 HydrophobicContact CZ-CG2 3.64Å
292Y97.1Very high97Very high107 Ų10751.8 Ų51.842%0.4229%0.285SS..EExtended strand (participates in β ladder)trans-112.2122173.5-57.9-78.1000109.6L280 E281 D283 D290L280-Y292 WeakPolarHBondContact O-CA 3.46Å; E281-Y292 HydrophobicContact CB-CD1 3.74Å; E281-Y292 HydrophobicContact CB-CE1 3.84Å; E281-Y292 HydrophobicContact CG-CD1 3.81Å; E281-Y292 HydrophobicContact CG-CE1 4.28Å; D283-Y292 PolarHBondContact OD1-OH 3.21Å; D290-Y292 HydrophobicContact CB-CD2 3.94Å; D290-Y292 HydrophobicContact CB-CE2 3.28Å
293T97.1Very high97.1Very high19 Ų1952.9 Ų52.912%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-150.5167.6175-166.70000111.4F239 E242 N279 L280 F291F239-T293 HydrophobicContact CD1-CG2 3.73Å; F239-T293 HydrophobicContact CE1-CG2 3.41Å; F239-T293 VanDerWaalsContact CE1-CG2 3.41Å; F239-T293 HydrophobicContact CZ-CG2 4.13Å; E242-T293 WeakPolarHBondContact OE1-CB 3.21Å; E242-T293 PolarHBondContact OE1-OG1 2.65Å; N279-T293 WeakPolarHBondContact CA-O 3.33Å; L280-T293 HydrophobicContact CB-CG2 3.93Å; L280-T293 PolarHBondContact N-O 3.29Å; L280-T293 PolarHBondContact O-N 3.12Å; F291-T293 HydrophobicContact CD1-CG2 4.44Å; F291-T293 HydrophobicContact CE1-CG2 3.71Å; F291-T293 HydrophobicContact CE2-CG2 4.29Å; F291-T293 HydrophobicContact CZ-CG2 3.64Å
294V97.7Very high97.2Very high77 Ų7748.4 Ų48.447%0.46727%0.267SS..EExtended strand (participates in β ladder)trans-124.6142.3179.564.70000109T278T278-V294 WeakPolarHBondContact O-CG2 3.39Å
295I98.5Very high97.3Very high3 Ų346.9 Ų46.92%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-128.8136170.5-172.8168.7000110.4M235 F239 A268 L272 Q277 T278 L280 R299 F300 L303M235-I295 HydrophobicContact CE-CD1 3.93Å; M235-I295 HydrophobicContact CE-CG2 4.37Å; F239-I295 HydrophobicContact CE2-CD1 4.22Å; F239-I295 HydrophobicContact CZ-CB 3.82Å; F239-I295 HydrophobicContact CZ-CD1 3.91Å; F239-I295 HydrophobicContact CZ-CG1 4.39Å; F239-I295 HydrophobicContact CZ-CG2 4.06Å; A268-I295 HydrophobicContact CB-CG2 4.48Å; L272-I295 HydrophobicContact CD1-CG1 4.42Å; L272-I295 HydrophobicContact CD1-CG2 4.07Å; Q277-I295 CarbonylContact C-O 3.5Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.22Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 3.27Å; T278-I295 PolarHBondContact O-N 3.18Å; L280-I295 HydrophobicContact CD1-CB 4.46Å; L280-I295 HydrophobicContact CD1-CG2 3.52Å; I295-R299 HydrophobicContact CG1-CB 4.15Å; I295-R299 HydrophobicContact CG1-CG 4.28Å; I295-F300 HydrophobicContact CD1-CB 4.25Å; I295-L303 HydrophobicContact CD1-CD1 4.39Å
296T98.6Very high97.4Very high55 Ų5550.6 Ų50.634%0.33728%0.278SS..EExtended strand (participates in β ladder)trans-92.5154.6173.866.90000110.1A276 Q277 A298 R299 F300A276-T296 CarbonylContact O-C 3.6Å; A276-T296 WeakPolarHBondContact O-CA 3.24Å; Q277-T296 HydrophobicContact CB-CG2 4.3Å; T296-A298 PolarHBondContact O-N 2.78Å; T296-R299 PolarHBondContact O-N 3.49Å; T296-R299 VanDerWaalsContact O-N 3.12Å; T296-R299 WeakPolarHBondContact OG1-CB 3.27Å; T296-R299 PolarHBondContact OG1-N 2.71Å; T296-R299 VanDerWaalsContact OG1-N 3.16Å; T296-F300 PolarHBondContact O-N 3.07Å
297R98.6Very high97.5Very high62 Ų6252 Ų5223%0.23429%0.285CS..Hα-helixtrans-56.6-41.3172.6-174.6-173.6-63.5170.7-0.8110.8L272 S274 S275 A276 R299 F300 E301L272-R297 HydrophobicContact CD2-CB 4.22Å; L272-R297 VanDerWaalsContact O-CZ 3.3Å; L272-R297 PolarHBondContact O-NE 3.25Å; L272-R297 PolarHBondContact O-NH2 3.43Å; S274-R297 PolarHBondContact O-NH2 2.74Å; S275-R297 PolarHBondContact O-NE 2.8Å; S275-R297 PolarHBondContact O-NH2 3.17Å; A276-R297 PolarHBondContact O-N 2.79Å; R297-R299 VanDerWaalsContact C-N 3.31Å; R297-R299 PolarHBondContact O-N 3Å; R297-F300 PolarHBondContact O-N 3.1Å; R297-E301 WeakPolarHBondContact CD-OE1 3.47Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.42Å; R297-E301 WeakPolarHBondContact O-CB 3.46Å; R297-E301 WeakPolarHBondContact O-CG 3.49Å; R297-E301 PolarHBondContact O-N 3.22Å
298A98.5Very high97.8Very high68 Ų6847 Ų4756%0.56226%0.259SS*.Hα-helixtrans-58-42.4177.100000112.2T296 E301 E302T296-A298 PolarHBondContact O-N 2.78Å; A298-E301 PolarHBondContact O-N 3.31Å; A298-E302 WeakPolarHBondContact O-CB 3.24Å; A298-E302 PolarHBondContact O-N 3.08Å
299R98.4Very high98Very high81 Ų8152.5 Ų52.531%0.30626%0.263SS..Hα-helixtrans-68.1-42.1176.8-176.757.8176.9175.66.4112H238 I295 T296 R297 E301 E302 L303H238-R299 PolarHBondContact CE1-NH2 3.38Å; I295-R299 HydrophobicContact CG1-CB 4.15Å; I295-R299 HydrophobicContact CG1-CG 4.28Å; T296-R299 PolarHBondContact O-N 3.49Å; T296-R299 VanDerWaalsContact O-N 3.12Å; T296-R299 WeakPolarHBondContact OG1-CB 3.27Å; T296-R299 PolarHBondContact OG1-N 2.71Å; T296-R299 VanDerWaalsContact OG1-N 3.16Å; R297-R299 VanDerWaalsContact C-N 3.31Å; R297-R299 PolarHBondContact O-N 3Å; R299-E301 VanDerWaalsContact C-N 3.33Å; R299-E301 PolarHBondContact O-N 2.89Å; R299-E302 VanDerWaalsContact CD-OE2 3.3Å; R299-E302 WeakPolarHBondContact CD-OE2 3.38Å; R299-E302 IonicContact CZ-OE2 3.66Å; R299-E302 IonicContact NE-OE2 2.83Å; R299-E302 IonicContact NH1-OE1 3.21Å; R299-E302 PolarHBondContact NH1-OE1 2.95Å; R299-E302 IonicContact NH1-OE2 3.14Å; R299-E302 PolarHBondContact NH1-OE2 3.03Å; R299-E302 PolarHBondContact O-N 3.42Å; R299-L303 HydrophobicContact CG-CD1 4.36Å; R299-L303 VanDerWaalsContact O-CG 3.27Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 2.81Å
300F98.7Very high97.9Very high4 Ų451.5 Ų51.52%0.01826%0.264CS..Hα-helixtrans-59.4-43.5173.7167-108.2000112.2F231 M235 K269 L272 I295 T296 R297 L303 N304 F308 I341F231-F300 HydrophobicContact CB-CE2 4.11Å; F231-F300 HydrophobicContact CB-CZ 4.28Å; M235-F300 HydrophobicContact CG-CD2 3.93Å; M235-F300 HydrophobicContact CG-CE2 4.32Å; M235-F300 HydrophobicContact SD-CD2 3.52Å; M235-F300 VanDerWaalsContact SD-CD2 3.52Å; M235-F300 HydrophobicContact SD-CE2 3.8Å; K269-F300 HydrophobicContact CD-CE2 4.42Å; K269-F300 HydrophobicContact CD-CZ 4.3Å; K269-F300 HydrophobicContact CG-CE2 4Å; K269-F300 HydrophobicContact CG-CZ 3.82Å; L272-F300 HydrophobicContact CD1-CB 3.58Å; L272-F300 HydrophobicContact CD1-CD1 4.44Å; L272-F300 HydrophobicContact CD1-CG 3.99Å; I295-F300 HydrophobicContact CD1-CB 4.25Å; T296-F300 PolarHBondContact O-N 3.07Å; R297-F300 PolarHBondContact O-N 3.1Å; F300-L303 PolarHBondContact O-N 3.49Å; F300-N304 WeakPolarHBondContact CD2-ND2 2.96Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.28Å; F300-N304 PolarHBondContact O-N 3.31Å; F300-N304 PolarHBondContact O-ND2 3.43Å; F300-F308 HydrophobicContact CE1-CE2 4.22Å; F300-F308 AromaticContact CE1-CZ 3.69Å; F300-F308 HydrophobicContact CE1-CZ 3.69Å; F300-F308 AromaticContact CZ-CZ 3.73Å; F300-F308 HydrophobicContact CZ-CZ 3.73Å; F300-I341 HydrophobicContact CE1-CD1 4.41Å; F300-I341 HydrophobicContact CE1-CG2 4.09Å; F300-I341 HydrophobicContact CZ-CD1 4.14Å
301E98.6Very high98Very high45 Ų4548.3 Ų48.321%0.2125%0.247CC..Hα-helixtrans-65-38.8177-71.5178.4-168.300112.4R297 A298 R299 N304 A305 F308 K343R297-E301 WeakPolarHBondContact CD-OE1 3.47Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.42Å; R297-E301 WeakPolarHBondContact O-CB 3.46Å; R297-E301 WeakPolarHBondContact O-CG 3.49Å; R297-E301 PolarHBondContact O-N 3.22Å; A298-E301 PolarHBondContact O-N 3.31Å; R299-E301 VanDerWaalsContact C-N 3.33Å; R299-E301 PolarHBondContact O-N 2.89Å; E301-N304 CarbonylContact O-C 3.6Å; E301-N304 PolarHBondContact O-N 2.85Å; E301-A305 WeakPolarHBondContact O-CA 3.4Å; E301-A305 WeakPolarHBondContact O-CB 3.47Å; E301-A305 PolarHBondContact O-N 3.4Å; E301-F308 HydrophobicContact CG-CE2 4.35Å; E301-K343 HydrophobicContact CB-CG 4.5Å; E301-K343 HydrophobicContact CG-CB 3.78Å; E301-K343 HydrophobicContact CG-CG 4.01Å
302E98.4Very high98Very high118 Ų11849.8 Ų49.855%0.55125%0.254SS*.Hα-helixtrans-62.8-45.9175-173.2-161.9166.300111.8A298 R299 N304 A305A298-E302 WeakPolarHBondContact O-CB 3.24Å; A298-E302 PolarHBondContact O-N 3.08Å; R299-E302 VanDerWaalsContact CD-OE2 3.3Å; R299-E302 WeakPolarHBondContact CD-OE2 3.38Å; R299-E302 IonicContact CZ-OE2 3.66Å; R299-E302 IonicContact NE-OE2 2.83Å; R299-E302 IonicContact NH1-OE1 3.21Å; R299-E302 PolarHBondContact NH1-OE1 2.95Å; R299-E302 IonicContact NH1-OE2 3.14Å; R299-E302 PolarHBondContact NH1-OE2 3.03Å; R299-E302 PolarHBondContact O-N 3.42Å; E302-N304 PolarHBondContact O-N 3.48Å; E302-A305 PolarHBondContact O-N 3.38Å
303L98.5Very high97.9Very high33 Ų3350 Ų5017%0.17326%0.263CS..Hα-helixtrans-62.1-23.3-179.6-71.4171.4000113.7R234 H238 I295 R299 F300R234-L303 PolarHBondContact NH1-O 2.78Å; H238-L303 HydrophobicContact CB-CD1 3.9Å; H238-L303 HydrophobicContact CB-CD2 4.15Å; I295-L303 HydrophobicContact CD1-CD1 4.39Å; R299-L303 HydrophobicContact CG-CD1 4.36Å; R299-L303 VanDerWaalsContact O-CG 3.27Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 2.81Å; F300-L303 PolarHBondContact O-N 3.49Å
304N98.6Very high97.8Very high0 Ų050 Ų500%026%0.263CS..THydrogen-bonded Turntrans-118.911.1-175.1-65.6-72.2000112.9F231 R234 F300 E301 E302 D306 L307 F308F231-N304 WeakPolarHBondContact CA-OD1 3.46Å; F231-N304 HydrophobicContact CD1-CB 4.36Å; R234-N304 WeakPolarHBondContact CB-OD1 3.38Å; R234-N304 VanDerWaalsContact CG-OD1 3.24Å; R234-N304 WeakPolarHBondContact CG-OD1 3.33Å; F300-N304 WeakPolarHBondContact CD2-ND2 2.96Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.28Å; F300-N304 PolarHBondContact O-N 3.31Å; F300-N304 PolarHBondContact O-ND2 3.43Å; E301-N304 CarbonylContact O-C 3.6Å; E301-N304 PolarHBondContact O-N 2.85Å; E302-N304 PolarHBondContact O-N 3.48Å; N304-D306 VanDerWaalsContact C-N 3.26Å; N304-D306 PolarHBondContact O-N 3.48Å; N304-L307 PolarHBondContact O-N 3.2Å; N304-L307 VanDerWaalsContact O-N 3.13Å; N304-F308 HydrophobicContact CB-CD1 4.14Å; N304-F308 HydrophobicContact CB-CD2 4.09Å; N304-F308 HydrophobicContact CB-CE1 3.71Å; N304-F308 HydrophobicContact CB-CE2 3.68Å; N304-F308 HydrophobicContact CB-CG 4.31Å; N304-F308 HydrophobicContact CB-CZ 3.46Å; N304-F308 VanDerWaalsContact CB-CZ 3.46Å; N304-F308 VanDerWaalsContact O-CG 3.29Å; N304-F308 WeakPolarHBondContact O-CG 3.24Å; N304-F308 PolarHBondContact O-N 2.79Å
305A98.1Very high97.8Very high30 Ų3046.3 Ų46.325%0.24824%0.24CC..Hα-helixtrans-59.8-36.1-170.600000113.1E301 E302 R309E301-A305 WeakPolarHBondContact O-CA 3.4Å; E301-A305 WeakPolarHBondContact O-CB 3.47Å; E301-A305 PolarHBondContact O-N 3.4Å; E302-A305 PolarHBondContact O-N 3.38Å; A305-R309 WeakPolarHBondContact O-CB 3.35Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.49Å; A305-R309 PolarHBondContact O-N 2.91Å; A305-R309 VanDerWaalsContact O-N 3.16Å
306D97.6Very high97.8Very high85 Ų8550.5 Ų50.546%0.45526%0.26SS..Hα-helixtrans-66.8-49.5175.160.4-51.3000111.6R234 N304 F308 R309 G310R234-D306 IonicContact CZ-OD1 3.17Å; R234-D306 IonicContact CZ-OD2 3.59Å; R234-D306 IonicContact NH1-OD1 2.67Å; R234-D306 PolarHBondContact NH1-OD1 3.02Å; R234-D306 IonicContact NH1-OD2 2.57Å; R234-D306 PolarHBondContact NH1-OD2 3.39Å; R234-D306 IonicContact NH2-OD1 2.92Å; R234-D306 IonicContact NH2-OD2 2.7Å; R234-D306 PolarHBondContact NH2-OD2 2.78Å; N304-D306 VanDerWaalsContact C-N 3.26Å; N304-D306 PolarHBondContact O-N 3.48Å; D306-F308 PolarHBondContact O-N 3.03Å; D306-R309 PolarHBondContact O-N 3.16Å; D306-G310 PolarHBondContact O-N 3.28Å
307L97.5Very high97.6Very high34 Ų3450.5 Ų50.518%0.17826%0.255CS..Hα-helixtrans-63.8-41.3-179.9-60.7-179.4000111.6L226 D230 F231 R234 N304 G310 T311L226-L307 HydrophobicContact CD1-CB 4.13Å; L226-L307 HydrophobicContact CD1-CD2 4.14Å; D230-L307 HydrophobicContact CB-CD1 4.06Å; F231-L307 HydrophobicContact CD1-CB 4.39Å; F231-L307 HydrophobicContact CD1-CD1 3.92Å; F231-L307 HydrophobicContact CE1-CB 3.84Å; F231-L307 HydrophobicContact CE1-CD1 4.05Å; R234-L307 HydrophobicContact CG-CD1 4.21Å; N304-L307 PolarHBondContact O-N 3.2Å; N304-L307 VanDerWaalsContact O-N 3.13Å; L307-G310 PolarHBondContact O-N 2.74Å; L307-T311 PolarHBondContact O-N 3.07Å
308F98.3Very high97.4Very high1 Ų147.6 Ų47.60%0.00424%0.244CC..Hα-helixtrans-64.9-41.2177.4-64.9-17.9000112.3F231 F300 E301 N304 D306 G310 T311 I341 K343 V344 L347F231-F308 HydrophobicContact CD1-CD1 4.39Å; F231-F308 AromaticContact CD1-CE1 3.76Å; F231-F308 HydrophobicContact CD1-CE1 3.76Å; F231-F308 HydrophobicContact CD2-CE1 4.06Å; F231-F308 AromaticContact CE1-CD1 3.83Å; F231-F308 HydrophobicContact CE1-CD1 3.83Å; F231-F308 AromaticContact CE1-CE1 3.59Å; F231-F308 HydrophobicContact CE1-CE1 3.59Å; F231-F308 AromaticContact CE2-CE1 3.9Å; F231-F308 HydrophobicContact CE2-CE1 3.9Å; F231-F308 HydrophobicContact CG-CE1 4.02Å; F231-F308 AromaticContact CZ-CD1 3.92Å; F231-F308 HydrophobicContact CZ-CD1 3.92Å; F231-F308 AromaticContact CZ-CE1 3.67Å; F231-F308 HydrophobicContact CZ-CE1 3.67Å; F300-F308 HydrophobicContact CE1-CE2 4.22Å; F300-F308 AromaticContact CE1-CZ 3.69Å; F300-F308 HydrophobicContact CE1-CZ 3.69Å; F300-F308 AromaticContact CZ-CZ 3.73Å; F300-F308 HydrophobicContact CZ-CZ 3.73Å; E301-F308 HydrophobicContact CG-CE2 4.35Å; N304-F308 HydrophobicContact CB-CD1 4.14Å; N304-F308 HydrophobicContact CB-CD2 4.09Å; N304-F308 HydrophobicContact CB-CE1 3.71Å; N304-F308 HydrophobicContact CB-CE2 3.68Å; N304-F308 HydrophobicContact CB-CG 4.31Å; N304-F308 HydrophobicContact CB-CZ 3.46Å; N304-F308 VanDerWaalsContact CB-CZ 3.46Å; N304-F308 VanDerWaalsContact O-CG 3.29Å; N304-F308 WeakPolarHBondContact O-CG 3.24Å; N304-F308 PolarHBondContact O-N 2.79Å; D306-F308 PolarHBondContact O-N 3.03Å; F308-G310 VanDerWaalsContact C-N 3.35Å; F308-T311 PolarHBondContact O-N 2.91Å; F308-T311 PolarHBondContact O-OG1 3.32Å; F308-I341 HydrophobicContact CE1-CD1 4.22Å; F308-I341 HydrophobicContact CE2-CG2 4.35Å; F308-I341 HydrophobicContact CZ-CD1 4.33Å; F308-I341 HydrophobicContact CZ-CG2 4.03Å; F308-K343 HydrophobicContact CD2-CB 4.07Å; F308-K343 HydrophobicContact CD2-CG 3.71Å; F308-K343 HydrophobicContact CE2-CB 4.13Å; F308-K343 HydrophobicContact CE2-CG 4.21Å; F308-V344 HydrophobicContact CD1-CG2 3.94Å; F308-V344 HydrophobicContact CE1-CG2 4.22Å; F308-V344 HydrophobicContact CG-CG2 4.35Å; F308-L347 HydrophobicContact CB-CD1 3.75Å
309R97Very high97.4Very high169 Ų16944.8 Ų44.864%0.63822%0.22SC*.Hα-helixtrans-67.4-37.6175.4-74.6176-169.3153.83.5111.8A305 D306 T311 L312A305-R309 WeakPolarHBondContact O-CB 3.35Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.49Å; A305-R309 PolarHBondContact O-N 2.91Å; A305-R309 VanDerWaalsContact O-N 3.16Å; D306-R309 PolarHBondContact O-N 3.16Å; R309-T311 PolarHBondContact O-N 3.37Å; R309-T311 VanDerWaalsContact O-N 3.13Å; R309-L312 WeakPolarHBondContact O-CB 3.44Å; R309-L312 PolarHBondContact O-N 3.45Å
310G96.2Very high97.3Very high24 Ų2449.1 Ų49.125%0.24724%0.236CC..Hα-helixtrans-57.1-25.4176.600000113.4D306 L307 F308 L312 D313 P314D306-G310 PolarHBondContact O-N 3.28Å; L307-G310 PolarHBondContact O-N 2.74Å; F308-G310 VanDerWaalsContact C-N 3.35Å; G310-L312 PolarHBondContact O-N 2.98Å; G310-D313 PolarHBondContact O-N 3.23Å; G310-P314 WeakPolarHBondContact O-CD 3.34Å
311T97.6Very high97.1Very high0 Ų050.7 Ų50.70%025%0.245CC..THydrogen-bonded Turntrans-63.6-19.2174.469.20000114F196 L198 F203 L226 L307 F308 R309 V315F196-T311 HydrophobicContact CZ-CG2 4.46Å; L198-T311 HydrophobicContact CD1-CG2 4.46Å; L198-T311 HydrophobicContact CD2-CG2 4.36Å; F203-T311 HydrophobicContact CE1-CG2 4.32Å; F203-T311 WeakPolarHBondContact CE1-O 3.27Å; F203-T311 HydrophobicContact CZ-CG2 4.45Å; F203-T311 WeakPolarHBondContact CZ-O 3.35Å; L226-T311 HydrophobicContact CD2-CG2 3.99Å; L307-T311 PolarHBondContact O-N 3.07Å; F308-T311 PolarHBondContact O-N 2.91Å; F308-T311 PolarHBondContact O-OG1 3.32Å; R309-T311 PolarHBondContact O-N 3.37Å; R309-T311 VanDerWaalsContact O-N 3.13Å; T311-V315 WeakPolarHBondContact O-CG2 3.27Å
312L98Very high96.9Very high30 Ų3049.3 Ų49.316%0.15724%0.241CC..Hα-helixtrans-79.7-21.6177.7-61.2180000113R309 G310 V315 E316 F351R309-L312 WeakPolarHBondContact O-CB 3.44Å; R309-L312 PolarHBondContact O-N 3.45Å; G310-L312 PolarHBondContact O-N 2.98Å; L312-V315 WeakPolarHBondContact O-CB 3.23Å; L312-V315 PolarHBondContact O-N 2.57Å; L312-E316 PolarHBondContact O-N 2.99Å; L312-F351 HydrophobicContact CD1-CD2 4.25Å; L312-F351 HydrophobicContact CD2-CB 3.96Å; L312-F351 HydrophobicContact CD2-CD2 4.25Å; L312-F351 HydrophobicContact CD2-CG 4.14Å
313D96Very high96.9Very high113 Ų11352.5 Ų52.560%0.60425%0.253SS*.Hα-helixtrans-66.5-46.2-178-60.4-23.5000111.5G310 V315 E316 K317G310-D313 PolarHBondContact O-N 3.23Å; D313-V315 VanDerWaalsContact C-N 3.3Å; D313-V315 PolarHBondContact O-N 2.86Å; D313-E316 PolarHBondContact O-N 3.08Å; D313-K317 WeakPolarHBondContact O-CB 3.48Å; D313-K317 PolarHBondContact O-N 3.15Å
314P95.1Very high96.8Very high17 Ų1752.1 Ų52.111%0.1125%0.251CS..Hα-helixtrans-62.1-33.5171.6-28.139.8000113.8F203 V205 A221 G310 K317 A318F203-P314 HydrophobicContact CD1-CB 4.37Å; F203-P314 HydrophobicContact CD1-CG 3.93Å; F203-P314 HydrophobicContact CE1-CB 3.75Å; F203-P314 HydrophobicContact CE1-CG 3.56Å; F203-P314 HydrophobicContact CZ-CB 4.48Å; V205-P314 HydrophobicContact CG2-CB 4.12Å; A221-P314 HydrophobicContact CB-CB 4.04Å; A221-P314 WeakPolarHBondContact CB-O 3.47Å; G310-P314 WeakPolarHBondContact O-CD 3.34Å; P314-K317 PolarHBondContact O-N 3.23Å; P314-A318 WeakPolarHBondContact O-CB 3.39Å; P314-A318 PolarHBondContact O-N 3.41Å
315V97.7Very high96.7Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-63.1-47.3175.5176.70000110.9L194 F196 V205 T311 L312 D313 K317 A318 L319 L348 F351 F352L194-V315 HydrophobicContact CD1-CG1 4.01Å; F196-V315 HydrophobicContact CD2-CG2 3.82Å; F196-V315 HydrophobicContact CE2-CG2 3.76Å; V205-V315 HydrophobicContact CG1-CG2 4.24Å; V205-V315 HydrophobicContact CG2-CG2 3.78Å; T311-V315 WeakPolarHBondContact O-CG2 3.27Å; L312-V315 WeakPolarHBondContact O-CB 3.23Å; L312-V315 PolarHBondContact O-N 2.57Å; D313-V315 VanDerWaalsContact C-N 3.3Å; D313-V315 PolarHBondContact O-N 2.86Å; V315-K317 VanDerWaalsContact C-N 3.34Å; V315-A318 PolarHBondContact O-N 3.23Å; V315-L319 HydrophobicContact CG1-CD1 4.37Å; V315-L319 PolarHBondContact O-N 3.08Å; V315-L348 HydrophobicContact CG1-CD1 4.44Å; V315-L348 HydrophobicContact CG2-CD1 4.13Å; V315-F351 HydrophobicContact CG1-CD1 3.99Å; V315-F351 HydrophobicContact CG1-CE1 3.59Å; V315-F351 HydrophobicContact CG1-CZ 4.23Å; V315-F352 HydrophobicContact CG1-CE2 3.76Å; V315-F352 HydrophobicContact CG1-CZ 3.95Å
316E97.3Very high96.7Very high92 Ų9259.4 Ų59.443%0.4328%0.282SS..Hα-helixtrans-68.1-36.3179.5-159.4-179.5-119.600111.8L312 D313 R320 F351L312-E316 PolarHBondContact O-N 2.99Å; D313-E316 PolarHBondContact O-N 3.08Å; E316-R320 WeakPolarHBondContact O-CB 3.24Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 VanDerWaalsContact O-N 3.09Å; E316-R320 IonicContact OE2-NH2 3.61Å; E316-R320 PolarHBondContact OE2-NH2 3.33Å; E316-F351 HydrophobicContact CB-CZ 4.11Å; E316-F351 HydrophobicContact CG-CZ 4.24Å
317K94.2Very high96.6Very high55 Ų5560.3 Ų60.324%0.23930%0.295CS..Hα-helixtrans-63.1-47.5173.4-174.8179.6173.9-170.10111.6Y147 A221 D313 P314 V315 R320 D321Y147-K317 PolarHBondContact OH-NZ 2.91Å; A221-K317 HydrophobicContact CB-CB 4.19Å; A221-K317 HydrophobicContact CB-CD 3.99Å; A221-K317 HydrophobicContact CB-CG 4.2Å; D313-K317 WeakPolarHBondContact O-CB 3.48Å; D313-K317 PolarHBondContact O-N 3.15Å; P314-K317 PolarHBondContact O-N 3.23Å; V315-K317 VanDerWaalsContact C-N 3.34Å; K317-R320 PolarHBondContact O-N 3.29Å; K317-D321 WeakPolarHBondContact O-CB 3.28Å; K317-D321 VanDerWaalsContact O-CG 3.3Å; K317-D321 PolarHBondContact O-N 2.94Å
318A95.5Very high96.6Very high0 Ų062.5 Ų62.50%030%0.304CS..Hα-helixtrans-59.6-48.3177.900000111.2V205 I207 S219 A221 P314 V315 R320 D321 A322V205-A318 HydrophobicContact CG1-CB 4Å; I207-A318 VanDerWaalsContact CD1-C 3.5Å; I207-A318 HydrophobicContact CD1-CB 3.96Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; S219-A318 PolarHBondContact OG-O 3Å; A221-A318 HydrophobicContact CB-CB 4.38Å; P314-A318 WeakPolarHBondContact O-CB 3.39Å; P314-A318 PolarHBondContact O-N 3.41Å; V315-A318 PolarHBondContact O-N 3.23Å; A318-R320 VanDerWaalsContact C-N 3.32Å; A318-R320 PolarHBondContact O-N 2.89Å; A318-D321 PolarHBondContact O-N 3.48Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 2.86Å
319L98Very high96.6Very high10 Ų1062.4 Ų62.45%0.05230%0.304CS..Hα-helixtrans-56.2-45.8176.8-77.3168.7000112.6I207 V315 D321 A322 K323 M324 K326 I329 F351 F352I207-L319 HydrophobicContact CD1-CB 4.36Å; I207-L319 HydrophobicContact CD1-CD2 3.74Å; I207-L319 HydrophobicContact CD1-CG 3.96Å; V315-L319 HydrophobicContact CG1-CD1 4.37Å; V315-L319 PolarHBondContact O-N 3.08Å; L319-D321 VanDerWaalsContact C-N 3.34Å; L319-D321 PolarHBondContact O-N 3.01Å; L319-A322 PolarHBondContact O-N 3.01Å; L319-K323 PolarHBondContact O-N 3.49Å; L319-M324 HydrophobicContact CD2-CB 4.48Å; L319-M324 PolarHBondContact O-N 2.92Å; L319-K326 HydrophobicContact CD1-CG 3.98Å; L319-I329 HydrophobicContact CD2-CD1 3.87Å; L319-I329 HydrophobicContact CD2-CG1 3.68Å; L319-F351 HydrophobicContact CD1-CE1 3.69Å; L319-F351 HydrophobicContact CD1-CZ 4.18Å; L319-F352 HydrophobicContact CD1-CE1 4.22Å; L319-F352 HydrophobicContact CD1-CZ 4.02Å
320R96.7Very high96.6Very high172 Ų17258.1 Ų58.165%0.64929%0.291SS*.Hα-helixtrans-62.4-42.5178.7-169.1-175.5-49.1-152.42.7112E316 K317 A318 K323E316-R320 WeakPolarHBondContact O-CB 3.24Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 VanDerWaalsContact O-N 3.09Å; E316-R320 IonicContact OE2-NH2 3.61Å; E316-R320 PolarHBondContact OE2-NH2 3.33Å; K317-R320 PolarHBondContact O-N 3.29Å; A318-R320 VanDerWaalsContact C-N 3.32Å; A318-R320 PolarHBondContact O-N 2.89Å; R320-K323 PolarHBondContact O-N 2.67Å; R320-K323 VanDerWaalsContact O-N 3.17Å
321D93.6Very high96.5Very high36 Ų3657.9 Ų57.919%0.19328%0.284CS..Hα-helixtrans-71.1-39.4-179.2-75.8-4.1000112.4K317 A318 L319 K323 R414 N415K317-D321 WeakPolarHBondContact O-CB 3.28Å; K317-D321 VanDerWaalsContact O-CG 3.3Å; K317-D321 PolarHBondContact O-N 2.94Å; A318-D321 PolarHBondContact O-N 3.48Å; L319-D321 VanDerWaalsContact C-N 3.34Å; L319-D321 PolarHBondContact O-N 3.01Å; D321-K323 PolarHBondContact O-N 3.34Å; D321-R414 IonicContact OD1-CZ 3.51Å; D321-R414 IonicContact OD1-NE 2.97Å; D321-R414 IonicContact OD1-NH2 3.86Å; D321-R414 PolarHBondContact OD1-NH2 3.2Å; D321-R414 IonicContact OD2-CZ 2.97Å; D321-R414 IonicContact OD2-NE 2.72Å; D321-R414 PolarHBondContact OD2-NE 3.11Å; D321-R414 IonicContact OD2-NH2 3.13Å; D321-R414 PolarHBondContact OD2-NH2 3.42Å; D321-N415 WeakPolarHBondContact CB-ND2 3.45Å; D321-N415 PolarHBondContact OD2-ND2 3.13Å
322A96.2Very high96.5Very high16 Ų1657.9 Ų57.913%0.13228%0.284CS..Hα-helixtrans-68.2-12.7171.100000112.8I207 K218 A318 L319 M324I207-A322 HydrophobicContact CB-CB 4.29Å; I207-A322 HydrophobicContact CD1-CB 3.96Å; I207-A322 HydrophobicContact CG2-CB 4.17Å; K218-A322 HydrophobicContact CB-CB 4Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 2.86Å; L319-A322 PolarHBondContact O-N 3.01Å; A322-M324 VanDerWaalsContact C-N 3.25Å; A322-M324 HydrophobicContact CB-CB 4.29Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.21Å; A322-M324 PolarHBondContact O-N 3.28Å
323K96.8Very high96.5Very high186 Ų18656.5 Ų56.581%0.80928%0.277SS*.THydrogen-bonded Turntrans55.142.8-172-54.5174.9-177.3172.20111.7L319 R320 D321L319-K323 PolarHBondContact O-N 3.49Å; R320-K323 PolarHBondContact O-N 2.67Å; R320-K323 VanDerWaalsContact O-N 3.17Å; D321-K323 PolarHBondContact O-N 3.34Å
324M97.2Very high96.6Very high25 Ų2551.6 Ų51.612%0.12325%0.251CS..  trans-119.9137.2-178.9-70.1-178.2-178.600111N192 I207 K218 L319 A322 Q328 I329N192-M324 HydrophobicContact CB-CE 4.41Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 VanDerWaalsContact OD1-CE 3.31Å; N192-M324 WeakPolarHBondContact OD1-CE 3.38Å; I207-M324 HydrophobicContact CG2-SD 3.82Å; K218-M324 HydrophobicContact CG-CE 4.05Å; L319-M324 HydrophobicContact CD2-CB 4.48Å; L319-M324 PolarHBondContact O-N 2.92Å; A322-M324 VanDerWaalsContact C-N 3.25Å; A322-M324 HydrophobicContact CB-CB 4.29Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.21Å; A322-M324 PolarHBondContact O-N 3.28Å; M324-Q328 HydrophobicContact CB-CB 4.44Å; M324-I329 HydrophobicContact SD-CD1 4.36Å
325D96.8Very high96.7Very high113 Ų11350.8 Ų50.860%0.60425%0.245SC*.  trans-78.6158.3168.1-73.5-43.9000111.3S327 Q328D325-S327 PolarHBondContact O-N 2.87Å; D325-S327 VanDerWaalsContact O-N 3.1Å; D325-Q328 WeakPolarHBondContact O-CB 3.37Å; D325-Q328 PolarHBondContact O-N 3.26Å
326K97.3Very high96.6Very high69 Ų6951.2 Ų51.230%0.325%0.25SC..G310 helixtrans-54.1-33.3178.8-62.6177.5177.9-1660113.4L319 Q328 I329 F351 F352L319-K326 HydrophobicContact CD1-CG 3.98Å; K326-Q328 VanDerWaalsContact C-N 3.29Å; K326-Q328 PolarHBondContact O-N 2.97Å; K326-I329 PolarHBondContact O-N 3.48Å; K326-F351 HydrophobicContact CD-CD1 4.46Å; K326-F351 HydrophobicContact CD-CE1 4.22Å; K326-F351 VanDerWaalsContact CD-O 3.29Å; K326-F351 WeakPolarHBondContact CD-O 3.22Å; K326-F351 VanDerWaalsContact CE-CZ 3.43Å; K326-F351 WeakPolarHBondContact CE-O 3.42Å; K326-F351 HydrophobicContact CG-CE1 4.36Å; K326-F351 PolarHBondContact NZ-O 3.38Å; K326-F352 HydrophobicContact CB-CD1 3.96Å; K326-F352 HydrophobicContact CB-CE1 4.12Å; K326-F352 HydrophobicContact CG-CD1 4.33Å; K326-F352 HydrophobicContact CG-CE1 4.25Å
327S96.7Very high96.5Very high104 Ų10448.3 Ų48.373%0.72725%0.245SC*.G310 helixtrans-70.8-22.2179.6530000113.5D325D325-S327 PolarHBondContact O-N 2.87Å; D325-S327 VanDerWaalsContact O-N 3.1Å
328Q97.2Very high96.7Very high80 Ų8046.1 Ų46.137%0.37424%0.236SC..G310 helixtrans-83-15.5179.9-63178.8-89.900112.8N192 M324 D325 K326 H330N192-Q328 WeakPolarHBondContact CB-O 3.28Å; N192-Q328 PolarHBondContact ND2-O 2.91Å; M324-Q328 HydrophobicContact CB-CB 4.44Å; D325-Q328 WeakPolarHBondContact O-CB 3.37Å; D325-Q328 PolarHBondContact O-N 3.26Å; K326-Q328 VanDerWaalsContact C-N 3.29Å; K326-Q328 PolarHBondContact O-N 2.97Å; Q328-H330 PolarHBondContact O-CE1 3.33Å; Q328-H330 PolarHBondContact O-N 3.41Å; Q328-H330 PolarHBondContact O-ND1 3.49Å; Q328-H330 VanDerWaalsContact O-ND1 3.15Å
329I97.8Very high96.8Very high0 Ų046.3 Ų46.30%024%0.237CC..  trans-73.5121.3171.3-56.9-53.8000107.9N192 L194 I207 L319 M324 K326 D331 I332 F352 K355N192-I329 HydrophobicContact CB-CD1 4.4Å; L194-I329 HydrophobicContact CB-CG2 3.84Å; I207-I329 HydrophobicContact CD1-CD1 4.18Å; I207-I329 HydrophobicContact CG1-CD1 4.37Å; I207-I329 HydrophobicContact CG2-CD1 3.94Å; L319-I329 HydrophobicContact CD2-CD1 3.87Å; L319-I329 HydrophobicContact CD2-CG1 3.68Å; M324-I329 HydrophobicContact SD-CD1 4.36Å; K326-I329 PolarHBondContact O-N 3.48Å; I329-D331 WeakPolarHBondContact CG2-O 3.28Å; I329-I332 HydrophobicContact CG2-CG1 4.02Å; I329-F352 HydrophobicContact CB-CE1 4.09Å; I329-F352 HydrophobicContact CG1-CE1 3.85Å; I329-F352 HydrophobicContact CG1-CZ 4.44Å; I329-F352 HydrophobicContact CG2-CE1 4.41Å; I329-K355 WeakPolarHBondContact O-CE 3.45Å; I329-K355 PolarHBondContact O-NZ 3.17Å
330H95.9Very high96.8Very high78 Ų7851.6 Ų51.636%0.36126%0.257SS..  trans-84.2-51.7-179.2-62.483.2000110.4R191 N192 Q328 K355R191-H330 HydrophobicContact CB-CB 4.43Å; N192-H330 PolarHBondContact N-ND1 2.93Å; N192-H330 WeakPolarHBondContact O-CB 3.38Å; N192-H330 PolarHBondContact O-N 3.37Å; N192-H330 PolarHBondContact O-ND1 3.19Å; Q328-H330 PolarHBondContact O-CE1 3.33Å; Q328-H330 PolarHBondContact O-N 3.41Å; Q328-H330 PolarHBondContact O-ND1 3.49Å; Q328-H330 VanDerWaalsContact O-ND1 3.15Å; H330-K355 PolarHBondContact O-NZ 3.34Å
331D95.8Very high96.9Very high20 Ų2043.6 Ų43.611%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-125143.8-176.3-70.4-101.8000111Y181 R191 V193 L194 I329 N358Y181-D331 PolarHBondContact OH-OD1 3.25Å; Y181-D331 VanDerWaalsContact OH-OD1 3.07Å; Y181-D331 PolarHBondContact OH-OD2 2.97Å; R191-D331 IonicContact CZ-OD2 2.81Å; R191-D331 VanDerWaalsContact CZ-OD2 3.24Å; R191-D331 IonicContact NE-OD2 2.74Å; R191-D331 PolarHBondContact NE-OD2 3.43Å; R191-D331 IonicContact NH2-OD2 3.98Å; R191-D331 PolarHBondContact NH2-OD2 3.43Å; V193-D331 WeakPolarHBondContact CA-O 3.26Å; V193-D331 HydrophobicContact CG1-CB 4.21Å; V193-D331 HydrophobicContact CG2-CB 4.33Å; L194-D331 PolarHBondContact N-O 3.31Å; I329-D331 WeakPolarHBondContact CG2-O 3.28Å; D331-N358 PolarHBondContact OD1-ND2 3.26Å; D331-N358 VanDerWaalsContact OD1-ND2 3.1Å
332I97.8Very high97.1Very high0 Ų043.7 Ų43.70%023%0.23CC..EExtended strand (participates in β ladder)trans-118.3108172.8-59.8164.2000107.5L194 I329 L348 F352 K355 L357 N358L194-I332 HydrophobicContact CD2-CG2 4.02Å; L194-I332 CarbonylContact O-C 3.56Å; L194-I332 WeakPolarHBondContact O-CA 3.29Å; I329-I332 HydrophobicContact CG2-CG1 4.02Å; I332-L348 HydrophobicContact CG2-CD2 3.64Å; I332-L348 HydrophobicContact CG2-CG 4.25Å; I332-F352 HydrophobicContact CD1-CB 3.7Å; I332-F352 HydrophobicContact CD1-CD1 3.96Å; I332-F352 HydrophobicContact CD1-CD2 3.36Å; I332-F352 HydrophobicContact CD1-CE1 4.46Å; I332-F352 HydrophobicContact CD1-CE2 3.93Å; I332-F352 HydrophobicContact CD1-CG 3.4Å; I332-F352 VanDerWaalsContact CD1-CG 3.4Å; I332-F352 HydrophobicContact CD1-CZ 4.46Å; I332-F352 HydrophobicContact CG1-CD2 4.35Å; I332-F352 HydrophobicContact CG1-CE2 4.47Å; I332-K355 HydrophobicContact CD1-CB 4.38Å; I332-K355 HydrophobicContact CD1-CD 3.64Å; I332-K355 HydrophobicContact CD1-CG 4.19Å; I332-K355 HydrophobicContact CG1-CD 4.06Å; I332-L357 HydrophobicContact CB-CD2 4.02Å; I332-L357 HydrophobicContact CD1-CD2 4.02Å; I332-L357 HydrophobicContact CG2-CD2 3.77Å; I332-N358 WeakPolarHBondContact O-CA 3.37Å; I332-N358 VanDerWaalsContact O-CB 3.24Å; I332-N358 WeakPolarHBondContact O-CB 3.23Å; I332-N358 PolarHBondContact O-N 3.26Å
333V97.4Very high97.2Very high0 Ų046.4 Ų46.40%024%0.238CC..EExtended strand (participates in β ladder)trans-99.2130.5-175.2-179.30000109.4Y181 V193 L194 I195 F196 V335 N358 I361Y181-V333 HydrophobicContact CD1-CG2 4.46Å; Y181-V333 HydrophobicContact CD2-CG2 3.56Å; Y181-V333 HydrophobicContact CE2-CG2 3.86Å; Y181-V333 HydrophobicContact CG-CG2 3.89Å; V193-V333 HydrophobicContact CG1-CG2 3.63Å; L194-V333 PolarHBondContact O-N 2.99Å; I195-V333 HydrophobicContact CD1-CB 3.71Å; I195-V333 HydrophobicContact CD1-CG1 4.17Å; I195-V333 HydrophobicContact CD1-CG2 4.05Å; F196-V333 PolarHBondContact N-O 3.32Å; V333-V335 HydrophobicContact CG1-CG2 4.28Å; V333-N358 HydrophobicContact CG2-CB 4.22Å; V333-I361 HydrophobicContact CG1-CD1 3.27Å; V333-I361 HydrophobicContact CG1-CG1 3.86Å
334L97.8Very high97.3Very high10 Ų1037.6 Ų37.65%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-96.7129.8179.1-58.3-178.1000111.2F196 T339 Q345 L348 L357 N358F196-L334 HydrophobicContact CB-CD2 4.19Å; F196-L334 HydrophobicContact CD1-CD2 4.31Å; F196-L334 HydrophobicContact CG-CD2 4.5Å; L334-T339 HydrophobicContact CB-CG2 4.31Å; L334-T339 HydrophobicContact CD2-CG2 4.49Å; L334-Q345 HydrophobicContact CD1-CG 3.87Å; L334-L348 HydrophobicContact CD2-CD2 3.78Å; L334-L357 HydrophobicContact CD1-CB 4.11Å; L334-L357 HydrophobicContact CD1-CD1 3.83Å; L334-L357 HydrophobicContact CD2-CD1 4.21Å; L334-L357 HydrophobicContact CG-CB 4.31Å; L334-L357 HydrophobicContact CG-CD1 4.38Å; L334-N358 PolarHBondContact N-O 3Å
335V97.1Very high97.3Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-133.4149.8179.9-173.60000109A177 I195 F196 D197 L198 V333 T339 I361 V367A177-V335 HydrophobicContact CB-CB 4.35Å; A177-V335 HydrophobicContact CB-CG1 3.99Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; I195-V335 HydrophobicContact CG2-CG2 3.76Å; F196-V335 PolarHBondContact O-N 3.42Å; D197-V335 WeakPolarHBondContact CA-O 3.46Å; D197-V335 HydrophobicContact CB-CB 4Å; D197-V335 HydrophobicContact CB-CG1 4.36Å; L198-V335 PolarHBondContact N-O 3.19Å; V333-V335 HydrophobicContact CG1-CG2 4.28Å; V335-T339 WeakPolarHBondContact O-CG2 3.37Å; V335-I361 HydrophobicContact CG2-CD1 4.31Å; V335-V367 HydrophobicContact CG1-CG2 3.55Å
336G96Very high97.4Very high9 Ų937.3 Ų37.39%0.09319%0.193CC..SBendtrans84.1136.5-179.500000113.1L198 S338 T339 P363L198-G336 CarbonylContact O-C 3.54Å; L198-G336 VanDerWaalsContact O-C 3.27Å; L198-G336 WeakPolarHBondContact O-CA 3.28Å; G336-S338 PolarHBondContact O-N 3.37Å; G336-S338 VanDerWaalsContact O-N 3.08Å; G336-T339 WeakPolarHBondContact O-CB 3.32Å; G336-T339 PolarHBondContact O-N 3.21Å; G336-T339 PolarHBondContact O-OG1 2.84Å; G336-P363 PolarHBondContact N-O 3.12Å
337G95.3Very high97.4Very high31 Ų3135.3 Ų35.332%0.3219%0.186SC..G310 helixtrans-60.2-24.7-170.200000115.2T339 R340 D364G337-T339 VanDerWaalsContact C-N 3.26Å; G337-T339 PolarHBondContact O-N 3.4Å; G337-R340 WeakPolarHBondContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CG 3.3Å; G337-R340 PolarHBondContact O-N 2.88Å; G337-D364 WeakPolarHBondContact CA-OD1 3.49Å
338S98Very high97.5Very high10 Ų1030.4 Ų30.47%0.0715%0.152CC..G310 helixtrans-74.7-15.3178.9-59.10000112.8L198 G199 G228 G336 R340 I341L198-S338 VanDerWaalsContact O-CB 3.24Å; L198-S338 WeakPolarHBondContact O-CB 3.11Å; L198-S338 PolarHBondContact O-N 3.08Å; L198-S338 VanDerWaalsContact O-N 3.13Å; G199-S338 PolarHBondContact O-OG 3.33Å; G228-S338 VanDerWaalsContact CA-OG 3.27Å; G228-S338 WeakPolarHBondContact CA-OG 3.48Å; G228-S338 PolarHBondContact N-OG 3.03Å; G336-S338 PolarHBondContact O-N 3.37Å; G336-S338 VanDerWaalsContact O-N 3.08Å; S338-R340 PolarHBondContact O-N 3.35Å; S338-I341 WeakPolarHBondContact O-CB 3.41Å; S338-I341 WeakPolarHBondContact O-CD1 3.28Å; S338-I341 VanDerWaalsContact O-CG1 3.28Å; S338-I341 WeakPolarHBondContact O-CG1 3.47Å; S338-I341 PolarHBondContact O-N 3.32Å
339T97.9Very high97.5Very high3 Ų329.2 Ų29.22%0.01815%0.146CC..G310 helixtrans-67.1-12.8170.362.90000113.2F196 L198 L334 V335 G336 G337 I341 Q345F196-T339 HydrophobicContact CD1-CG2 3.78Å; F196-T339 HydrophobicContact CE1-CG2 4.11Å; L198-T339 HydrophobicContact CB-CG2 3.85Å; L334-T339 HydrophobicContact CB-CG2 4.31Å; L334-T339 HydrophobicContact CD2-CG2 4.49Å; V335-T339 WeakPolarHBondContact O-CG2 3.37Å; G336-T339 WeakPolarHBondContact O-CB 3.32Å; G336-T339 PolarHBondContact O-N 3.21Å; G336-T339 PolarHBondContact O-OG1 2.84Å; G337-T339 VanDerWaalsContact C-N 3.26Å; G337-T339 PolarHBondContact O-N 3.4Å; T339-I341 PolarHBondContact O-N 3.31Å; T339-Q345 VanDerWaalsContact O-CG 3.23Å; T339-Q345 WeakPolarHBondContact O-CG 3.12Å; T339-Q345 PolarHBondContact O-NE2 3Å
340R97.6Very high97.5Very high121 Ų12133 Ų3346%0.45717%0.166SC..G310 helixtrans-68-14.2172.5-62.9175.5179.7-89.44112.8G337 S338 P342 D364G337-R340 WeakPolarHBondContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CG 3.3Å; G337-R340 PolarHBondContact O-N 2.88Å; S338-R340 PolarHBondContact O-N 3.35Å; R340-P342 WeakPolarHBondContact O-CD 3.38Å; R340-D364 IonicContact CZ-OD2 2.83Å; R340-D364 IonicContact NE-OD2 2.82Å; R340-D364 PolarHBondContact NE-OD2 2.91Å; R340-D364 IonicContact NH2-OD2 3.94Å; R340-D364 PolarHBondContact NH2-OD2 3.13Å
341I98.5Very high97.6Very high4 Ų430.6 Ų30.62%0.02116%0.155CC..  trans-66.3119.8178.1-64.8169.1000109.6F231 F300 F308 S338 T339 K343 V344 Q345F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.76Å; F300-I341 HydrophobicContact CE1-CD1 4.41Å; F300-I341 HydrophobicContact CE1-CG2 4.09Å; F300-I341 HydrophobicContact CZ-CD1 4.14Å; F308-I341 HydrophobicContact CE1-CD1 4.22Å; F308-I341 HydrophobicContact CE2-CG2 4.35Å; F308-I341 HydrophobicContact CZ-CD1 4.33Å; F308-I341 HydrophobicContact CZ-CG2 4.03Å; S338-I341 WeakPolarHBondContact O-CB 3.41Å; S338-I341 WeakPolarHBondContact O-CD1 3.28Å; S338-I341 VanDerWaalsContact O-CG1 3.28Å; S338-I341 WeakPolarHBondContact O-CG1 3.47Å; S338-I341 PolarHBondContact O-N 3.32Å; T339-I341 PolarHBondContact O-N 3.31Å; I341-K343 VanDerWaalsContact C-N 3.25Å; I341-K343 HydrophobicContact CG2-CB 4.21Å; I341-K343 PolarHBondContact O-N 3.07Å; I341-V344 HydrophobicContact CB-CB 4.31Å; I341-V344 HydrophobicContact CB-CG2 3.96Å; I341-V344 HydrophobicContact CG2-CG2 3.97Å; I341-V344 PolarHBondContact O-N 3.38Å; I341-V344 VanDerWaalsContact O-N 3.14Å; I341-Q345 PolarHBondContact O-N 3.21Å
342P98.2Very high97.8Very high39 Ų3930 Ų3025%0.25315%0.151SC..Hα-helixtrans-57.8-35.5-176.6-28.735.9000113.9S273 R340 Q345 K346S273-P342 VanDerWaalsContact O-CG 3.28Å; S273-P342 WeakPolarHBondContact O-CG 3.45Å; R340-P342 WeakPolarHBondContact O-CD 3.38Å; P342-Q345 PolarHBondContact O-N 2.87Å; P342-K346 WeakPolarHBondContact O-CB 3.4Å; P342-K346 PolarHBondContact O-N 3.44Å
343K98.4Very high97.7Very high72 Ų7236.6 Ų36.631%0.31319%0.186SC..Hα-helixtrans-66.2-39.5179.5-171.156.1171.6-1740113.1E301 F308 I341 K346 L347E301-K343 HydrophobicContact CB-CG 4.5Å; E301-K343 HydrophobicContact CG-CB 3.78Å; E301-K343 HydrophobicContact CG-CG 4.01Å; F308-K343 HydrophobicContact CD2-CB 4.07Å; F308-K343 HydrophobicContact CD2-CG 3.71Å; F308-K343 HydrophobicContact CE2-CB 4.13Å; F308-K343 HydrophobicContact CE2-CG 4.21Å; I341-K343 VanDerWaalsContact C-N 3.25Å; I341-K343 HydrophobicContact CG2-CB 4.21Å; I341-K343 PolarHBondContact O-N 3.07Å; K343-K346 PolarHBondContact O-N 3.14Å; K343-L347 HydrophobicContact CD-CG 4.46Å; K343-L347 HydrophobicContact CG-CD1 4.29Å; K343-L347 WeakPolarHBondContact O-CB 3.44Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.43Å; K343-L347 PolarHBondContact O-N 3.34Å
344V98.1Very high97.7Very high2 Ų239.1 Ų39.11%0.01221%0.213CC..Hα-helixtrans-63.2-48.4176.4174.30000109.6F196 L198 F308 I341 K346 L347 L348F196-V344 HydrophobicContact CE1-CG1 3.66Å; F196-V344 HydrophobicContact CZ-CG1 3.87Å; L198-V344 HydrophobicContact CD2-CG1 4.04Å; L198-V344 HydrophobicContact CD2-CG2 4.14Å; F308-V344 HydrophobicContact CD1-CG2 3.94Å; F308-V344 HydrophobicContact CE1-CG2 4.22Å; F308-V344 HydrophobicContact CG-CG2 4.35Å; I341-V344 HydrophobicContact CB-CB 4.31Å; I341-V344 HydrophobicContact CB-CG2 3.96Å; I341-V344 HydrophobicContact CG2-CG2 3.97Å; I341-V344 PolarHBondContact O-N 3.38Å; I341-V344 VanDerWaalsContact O-N 3.14Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.38Å; V344-L347 PolarHBondContact O-N 2.95Å; V344-L348 PolarHBondContact O-N 2.82Å
345Q98.2Very high97.7Very high33 Ų3341.6 Ų41.615%0.15422%0.223CC..Hα-helixtrans-58.5-46.1175.5-66.4-175.421.100111.8L334 T339 I341 P342 L347 L348 Q349 L357 K359L334-Q345 HydrophobicContact CD1-CG 3.87Å; T339-Q345 VanDerWaalsContact O-CG 3.23Å; T339-Q345 WeakPolarHBondContact O-CG 3.12Å; T339-Q345 PolarHBondContact O-NE2 3Å; I341-Q345 PolarHBondContact O-N 3.21Å; P342-Q345 PolarHBondContact O-N 2.87Å; Q345-L347 PolarHBondContact O-N 3.23Å; Q345-L348 PolarHBondContact O-N 3.47Å; Q345-Q349 WeakPolarHBondContact O-CB 3.45Å; Q345-Q349 WeakPolarHBondContact O-CG 3.38Å; Q345-Q349 PolarHBondContact O-N 3.39Å; Q345-L357 HydrophobicContact CB-CD1 3.65Å; Q345-L357 HydrophobicContact CG-CD1 3.93Å; Q345-K359 VanDerWaalsContact OE1-CE 3.26Å
346K98.3Very high97.7Very high99 Ų9949.5 Ų49.543%0.4326%0.26SS..Hα-helixtrans-62.2-45.5-179.4-178.354.2175.3159.60111.9P342 K343 V344 L348 Q349 D350P342-K346 WeakPolarHBondContact O-CB 3.4Å; P342-K346 PolarHBondContact O-N 3.44Å; K343-K346 PolarHBondContact O-N 3.14Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.38Å; K346-L348 VanDerWaalsContact C-N 3.32Å; K346-L348 PolarHBondContact O-N 3.24Å; K346-Q349 PolarHBondContact O-N 2.81Å; K346-D350 VanDerWaalsContact CE-OD1 3.26Å; K346-D350 WeakPolarHBondContact CE-OD1 3.5Å; K346-D350 WeakPolarHBondContact CE-OD2 3.42Å; K346-D350 IonicContact NZ-OD1 2.73Å; K346-D350 PolarHBondContact NZ-OD1 2.68Å; K346-D350 IonicContact NZ-OD2 2.75Å; K346-D350 WeakPolarHBondContact O-CB 2.9Å; K346-D350 PolarHBondContact O-N 3.05Å
347L98.3Very high97.8Very high27 Ų2749.3 Ų49.314%0.14126%0.257CS..Hα-helixtrans-59.5-43.8176.5-75171.2000111.7F308 K343 V344 Q345 D350 F351F308-L347 HydrophobicContact CB-CD1 3.75Å; K343-L347 HydrophobicContact CD-CG 4.46Å; K343-L347 HydrophobicContact CG-CD1 4.29Å; K343-L347 WeakPolarHBondContact O-CB 3.44Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.43Å; K343-L347 PolarHBondContact O-N 3.34Å; V344-L347 PolarHBondContact O-N 2.95Å; Q345-L347 PolarHBondContact O-N 3.23Å; L347-D350 PolarHBondContact O-N 3.43Å; L347-F351 WeakPolarHBondContact O-CB 3.39Å; L347-F351 PolarHBondContact O-N 3.41Å
348L98.1Very high97.7Very high1 Ų149 Ų491%0.00525%0.248CC..Hα-helixtrans-66.6-43.7178.5-17062000111.9F196 V315 I332 L334 V344 Q345 K346 F351 F352 L357F196-L348 HydrophobicContact CB-CD2 3.97Å; F196-L348 HydrophobicContact CD1-CD2 4.26Å; F196-L348 HydrophobicContact CD2-CD1 3.8Å; F196-L348 HydrophobicContact CD2-CD2 3.64Å; F196-L348 HydrophobicContact CD2-CG 4.35Å; F196-L348 HydrophobicContact CE2-CD1 3.96Å; F196-L348 HydrophobicContact CE2-CD2 4.13Å; F196-L348 HydrophobicContact CG-CD2 3.7Å; V315-L348 HydrophobicContact CG1-CD1 4.44Å; V315-L348 HydrophobicContact CG2-CD1 4.13Å; I332-L348 HydrophobicContact CG2-CD2 3.64Å; I332-L348 HydrophobicContact CG2-CG 4.25Å; L334-L348 HydrophobicContact CD2-CD2 3.78Å; V344-L348 PolarHBondContact O-N 2.82Å; Q345-L348 PolarHBondContact O-N 3.47Å; K346-L348 VanDerWaalsContact C-N 3.32Å; K346-L348 PolarHBondContact O-N 3.24Å; L348-F351 WeakPolarHBondContact O-CB 3.33Å; L348-F351 PolarHBondContact O-N 2.93Å; L348-F352 HydrophobicContact CD1-CD2 3.95Å; L348-F352 HydrophobicContact CD1-CE2 3.79Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.27Å; L348-F352 PolarHBondContact O-N 2.94Å; L348-L357 HydrophobicContact CD2-CD2 4.06Å; L348-L357 HydrophobicContact CG-CD2 4.15Å
349Q98Very high97.4Very high55 Ų5554.8 Ų54.826%0.25727%0.272SS..Hα-helixtrans-59.4-47.3174.3-74.9-178.9-46.300111.9Q345 K346 F351 F352 N353 G354 L357Q345-Q349 WeakPolarHBondContact O-CB 3.45Å; Q345-Q349 WeakPolarHBondContact O-CG 3.38Å; Q345-Q349 PolarHBondContact O-N 3.39Å; K346-Q349 PolarHBondContact O-N 2.81Å; Q349-F351 VanDerWaalsContact C-N 3.3Å; Q349-F351 PolarHBondContact O-N 3.23Å; Q349-F352 CarbonylContact O-C 3.55Å; Q349-F352 VanDerWaalsContact O-C 3.25Å; Q349-F352 PolarHBondContact O-N 3.32Å; Q349-F352 VanDerWaalsContact O-N 3.15Å; Q349-N353 PolarHBondContact O-N 3Å; Q349-G354 WeakPolarHBondContact O-CA 3.48Å; Q349-G354 PolarHBondContact O-N 2.95Å; Q349-L357 HydrophobicContact CG-CD1 3.72Å; Q349-L357 HydrophobicContact CG-CD2 3.77Å; Q349-L357 HydrophobicContact CG-CG 3.46Å; Q349-L357 VanDerWaalsContact CG-CG 3.46Å
350D97.9Very high97.1Very high80 Ų8058.1 Ų58.143%0.42830%0.295SS..Hα-helixtrans-63.1-40.5179.5-69.7-18.3000110.7K346 L347 F352 N353K346-D350 VanDerWaalsContact CE-OD1 3.26Å; K346-D350 WeakPolarHBondContact CE-OD1 3.5Å; K346-D350 WeakPolarHBondContact CE-OD2 3.42Å; K346-D350 IonicContact NZ-OD1 2.73Å; K346-D350 PolarHBondContact NZ-OD1 2.68Å; K346-D350 IonicContact NZ-OD2 2.75Å; K346-D350 WeakPolarHBondContact O-CB 2.9Å; K346-D350 PolarHBondContact O-N 3.05Å; L347-D350 PolarHBondContact O-N 3.43Å; D350-F352 VanDerWaalsContact C-N 3.27Å; D350-F352 PolarHBondContact O-N 3.3Å; D350-N353 PolarHBondContact O-N 3.17Å; D350-N353 VanDerWaalsContact O-N 3.12Å
351F98.1Very high96.9Very high26 Ų2653.6 Ų53.611%0.11428%0.28CS..Hα-helixtrans-59.5-38.4174.9-176-90.9000112L312 V315 E316 L319 K326 L347 L348 Q349 N353L312-F351 HydrophobicContact CD1-CD2 4.25Å; L312-F351 HydrophobicContact CD2-CB 3.96Å; L312-F351 HydrophobicContact CD2-CD2 4.25Å; L312-F351 HydrophobicContact CD2-CG 4.14Å; V315-F351 HydrophobicContact CG1-CD1 3.99Å; V315-F351 HydrophobicContact CG1-CE1 3.59Å; V315-F351 HydrophobicContact CG1-CZ 4.23Å; E316-F351 HydrophobicContact CB-CZ 4.11Å; E316-F351 HydrophobicContact CG-CZ 4.24Å; L319-F351 HydrophobicContact CD1-CE1 3.69Å; L319-F351 HydrophobicContact CD1-CZ 4.18Å; K326-F351 HydrophobicContact CD-CD1 4.46Å; K326-F351 HydrophobicContact CD-CE1 4.22Å; K326-F351 VanDerWaalsContact CD-O 3.29Å; K326-F351 WeakPolarHBondContact CD-O 3.22Å; K326-F351 VanDerWaalsContact CE-CZ 3.43Å; K326-F351 WeakPolarHBondContact CE-O 3.42Å; K326-F351 HydrophobicContact CG-CE1 4.36Å; K326-F351 PolarHBondContact NZ-O 3.38Å; L347-F351 WeakPolarHBondContact O-CB 3.39Å; L347-F351 PolarHBondContact O-N 3.41Å; L348-F351 WeakPolarHBondContact O-CB 3.33Å; L348-F351 PolarHBondContact O-N 2.93Å; Q349-F351 VanDerWaalsContact C-N 3.3Å; Q349-F351 PolarHBondContact O-N 3.23Å; F351-N353 VanDerWaalsContact C-N 3.34Å
352F98.2Very high96.7Very high7 Ų756.2 Ų56.23%0.03129%0.294CS..THydrogen-bonded Turntrans-94.230.8175.6-75.7-82.4000113.8L194 V315 L319 K326 I329 I332 L348 Q349 D350 G354 K355L194-F352 HydrophobicContact CD1-CE2 4.13Å; L194-F352 HydrophobicContact CD1-CZ 3.69Å; V315-F352 HydrophobicContact CG1-CE2 3.76Å; V315-F352 HydrophobicContact CG1-CZ 3.95Å; L319-F352 HydrophobicContact CD1-CE1 4.22Å; L319-F352 HydrophobicContact CD1-CZ 4.02Å; K326-F352 HydrophobicContact CB-CD1 3.96Å; K326-F352 HydrophobicContact CB-CE1 4.12Å; K326-F352 HydrophobicContact CG-CD1 4.33Å; K326-F352 HydrophobicContact CG-CE1 4.25Å; I329-F352 HydrophobicContact CB-CE1 4.09Å; I329-F352 HydrophobicContact CG1-CE1 3.85Å; I329-F352 HydrophobicContact CG1-CZ 4.44Å; I329-F352 HydrophobicContact CG2-CE1 4.41Å; I332-F352 HydrophobicContact CD1-CB 3.7Å; I332-F352 HydrophobicContact CD1-CD1 3.96Å; I332-F352 HydrophobicContact CD1-CD2 3.36Å; I332-F352 HydrophobicContact CD1-CE1 4.46Å; I332-F352 HydrophobicContact CD1-CE2 3.93Å; I332-F352 HydrophobicContact CD1-CG 3.4Å; I332-F352 VanDerWaalsContact CD1-CG 3.4Å; I332-F352 HydrophobicContact CD1-CZ 4.46Å; I332-F352 HydrophobicContact CG1-CD2 4.35Å; I332-F352 HydrophobicContact CG1-CE2 4.47Å; L348-F352 HydrophobicContact CD1-CD2 3.95Å; L348-F352 HydrophobicContact CD1-CE2 3.79Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.27Å; L348-F352 PolarHBondContact O-N 2.94Å; Q349-F352 CarbonylContact O-C 3.55Å; Q349-F352 VanDerWaalsContact O-C 3.25Å; Q349-F352 PolarHBondContact O-N 3.32Å; Q349-F352 VanDerWaalsContact O-N 3.15Å; D350-F352 VanDerWaalsContact C-N 3.27Å; D350-F352 PolarHBondContact O-N 3.3Å; F352-G354 VanDerWaalsContact C-N 3.26Å; F352-G354 PolarHBondContact O-N 2.97Å; F352-K355 HydrophobicContact CB-CB 3.93Å; F352-K355 VanDerWaalsContact O-CB 3.31Å; F352-K355 WeakPolarHBondContact O-CB 3.45Å; F352-K355 PolarHBondContact O-N 2.85Å
353N97.2Very high96.6Very high139 Ų13955.3 Ų55.374%0.74329%0.288SS*.THydrogen-bonded Turntrans56.835.4171.4-55.598.1000114.2Q349 D350 F351Q349-N353 PolarHBondContact O-N 3Å; D350-N353 PolarHBondContact O-N 3.17Å; D350-N353 VanDerWaalsContact O-N 3.12Å; F351-N353 VanDerWaalsContact C-N 3.34Å
354G96.9Very high96.4Very high54 Ų5454.8 Ų54.856%0.55729%0.289SS*.THydrogen-bonded Turntrans84.18.717900000114.9Q349 F352 E356Q349-G354 WeakPolarHBondContact O-CA 3.48Å; Q349-G354 PolarHBondContact O-N 2.95Å; F352-G354 VanDerWaalsContact C-N 3.26Å; F352-G354 PolarHBondContact O-N 2.97Å; G354-E356 PolarHBondContact O-N 3.2Å
355K97.4Very high96.4Very high61 Ų6156.2 Ų56.227%0.26530%0.295SS..PPolyproline II helixtrans-54135.7174-177.6-178.9-83.4-87.80110.6I329 H330 I332 F352I329-K355 WeakPolarHBondContact O-CE 3.45Å; I329-K355 PolarHBondContact O-NZ 3.17Å; H330-K355 PolarHBondContact O-NZ 3.34Å; I332-K355 HydrophobicContact CD1-CB 4.38Å; I332-K355 HydrophobicContact CD1-CD 3.64Å; I332-K355 HydrophobicContact CD1-CG 4.19Å; I332-K355 HydrophobicContact CG1-CD 4.06Å; F352-K355 HydrophobicContact CB-CB 3.93Å; F352-K355 VanDerWaalsContact O-CB 3.31Å; F352-K355 WeakPolarHBondContact O-CB 3.45Å; F352-K355 PolarHBondContact O-N 2.85Å
356E97.1Very high96.3Very high166 Ų16654.9 Ų54.978%0.77629%0.29SS*.PPolyproline II helixtrans-67136.5178.1-168.6174.6-177.900111G354G354-E356 PolarHBondContact O-N 3.2Å
357L97.5Very high96.3Very high6 Ų650.4 Ų50.43%0.03127%0.271CS..PPolyproline II helixtrans-85.2132.5176.7-53.5-179.1000109.2I332 L334 Q345 L348 Q349 K359I332-L357 HydrophobicContact CB-CD2 4.02Å; I332-L357 HydrophobicContact CD1-CD2 4.02Å; I332-L357 HydrophobicContact CG2-CD2 3.77Å; L334-L357 HydrophobicContact CD1-CB 4.11Å; L334-L357 HydrophobicContact CD1-CD1 3.83Å; L334-L357 HydrophobicContact CD2-CD1 4.21Å; L334-L357 HydrophobicContact CG-CB 4.31Å; L334-L357 HydrophobicContact CG-CD1 4.38Å; Q345-L357 HydrophobicContact CB-CD1 3.65Å; Q345-L357 HydrophobicContact CG-CD1 3.93Å; L348-L357 HydrophobicContact CD2-CD2 4.06Å; L348-L357 HydrophobicContact CG-CD2 4.15Å; Q349-L357 HydrophobicContact CG-CD1 3.72Å; Q349-L357 HydrophobicContact CG-CD2 3.77Å; Q349-L357 HydrophobicContact CG-CG 3.46Å; Q349-L357 VanDerWaalsContact CG-CG 3.46Å; L357-K359 PolarHBondContact O-N 2.85Å
358N94.8Very high96.3Very high24 Ų2449.1 Ų49.113%0.12826%0.264CS..BIsolated β-bridgetrans-77120.2178.9-165.7-46.3000110.5Y181 D331 I332 V333 L334 S360Y181-N358 WeakPolarHBondContact CE2-ND2 3.5Å; D331-N358 PolarHBondContact OD1-ND2 3.26Å; D331-N358 VanDerWaalsContact OD1-ND2 3.1Å; I332-N358 WeakPolarHBondContact O-CA 3.37Å; I332-N358 VanDerWaalsContact O-CB 3.24Å; I332-N358 WeakPolarHBondContact O-CB 3.23Å; I332-N358 PolarHBondContact O-N 3.26Å; V333-N358 HydrophobicContact CG2-CB 4.22Å; L334-N358 PolarHBondContact N-O 3Å; N358-S360 WeakPolarHBondContact OD1-CB 3.46Å; N358-S360 PolarHBondContact OD1-N 3.24Å; N358-S360 PolarHBondContact OD1-OG 3.32Å
359K91.9Very high96.2Very high132 Ų13251.5 Ų51.557%0.57427%0.273SS*.  trans-119.123-179.3-61.2175.4-179.6178.30111.9Q345 L357 I361Q345-K359 VanDerWaalsContact OE1-CE 3.26Å; L357-K359 PolarHBondContact O-N 2.85Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.49Å
360S90.9Very high96.1Very high73 Ų7348.9 Ų48.951%0.5126%0.261SS..  trans-74.8-17.3-175.469.20000113.7N358N358-S360 WeakPolarHBondContact OD1-CB 3.46Å; N358-S360 PolarHBondContact OD1-N 3.24Å; N358-S360 PolarHBondContact OD1-OG 3.32Å
361I92.8Very high96.1Very high25 Ų2545 Ų4513%0.12824%0.241CC..SBendtrans-108.1152.4176.769179.5000110.7V333 V335 K359 P363 A366V333-I361 HydrophobicContact CG1-CD1 3.27Å; V333-I361 HydrophobicContact CG1-CG1 3.86Å; V335-I361 HydrophobicContact CG2-CD1 4.31Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.49Å; I361-P363 WeakPolarHBondContact O-CD 3.08Å; I361-A366 HydrophobicContact CB-CB 4.36Å; I361-A366 HydrophobicContact CD1-CB 3.6Å; I361-A366 HydrophobicContact CG1-CB 4.11Å
362N95Very high96Very high59 Ų5943.8 Ų43.832%0.31624%0.235SC..  trans-76.4118.1175.4-176.1-11.9000109.8D364 E365 A366N362-D364 PolarHBondContact O-N 3.47Å; N362-D364 VanDerWaalsContact O-N 3.13Å; N362-D364 PolarHBondContact OD1-N 3.45Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å; N362-E365 HydrophobicContact CB-CB 4.13Å; N362-E365 HydrophobicContact CB-CG 4.43Å; N362-E365 WeakPolarHBondContact ND2-CG 3.49Å; N362-E365 PolarHBondContact ND2-OE1 3.16Å; N362-E365 PolarHBondContact ND2-OE2 2.83Å; N362-E365 PolarHBondContact O-N 3.32Å; N362-E365 VanDerWaalsContact O-N 3.17Å; N362-A366 WeakPolarHBondContact O-CB 3.47Å; N362-A366 PolarHBondContact O-N 3.28Å
363P95.7Very high95.8Very high21 Ų2143.5 Ų43.514%0.13623%0.234CC..THydrogen-bonded Turntrans-64.8-19.3-174.927.2-36.6000113.8G336 I361G336-P363 PolarHBondContact N-O 3.12Å; I361-P363 WeakPolarHBondContact O-CD 3.08Å
364D95.2Very high95.6Very high61 Ų6137.3 Ų37.333%0.32620%0.2SC..THydrogen-bonded Turntrans-94.6-11-178.7-55.4-55.1000112.9T35 G337 R340 N362T35-D364 HydrophobicContact CG2-CB 4.45Å; G337-D364 WeakPolarHBondContact CA-OD1 3.49Å; R340-D364 IonicContact CZ-OD2 2.83Å; R340-D364 IonicContact NE-OD2 2.82Å; R340-D364 PolarHBondContact NE-OD2 2.91Å; R340-D364 IonicContact NH2-OD2 3.94Å; R340-D364 PolarHBondContact NH2-OD2 3.13Å; N362-D364 PolarHBondContact O-N 3.47Å; N362-D364 VanDerWaalsContact O-N 3.13Å; N362-D364 PolarHBondContact OD1-N 3.45Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å
365E96.6Very high95.6Very high32 Ų3234.7 Ų34.715%0.1517%0.174CC..THydrogen-bonded Turntrans-121.6-22.3-174.2-63.6173.9174.900112.9I26 R34 N362 V367 A368 Y369I26-E365 HydrophobicContact CD1-CB 4.47Å; I26-E365 HydrophobicContact CG1-CB 4.18Å; I26-E365 HydrophobicContact CG1-CG 4.42Å; I26-E365 HydrophobicContact CG2-CG 4.23Å; R34-E365 WeakPolarHBondContact CD-OE1 3.42Å; R34-E365 IonicContact CZ-OE1 2.83Å; R34-E365 IonicContact NE-OE1 3.43Å; R34-E365 IonicContact NH1-OE1 3.73Å; R34-E365 PolarHBondContact NH1-OE1 2.77Å; R34-E365 VanDerWaalsContact NH1-OE1 3.12Å; R34-E365 IonicContact NH1-OE2 2.88Å; N362-E365 HydrophobicContact CB-CB 4.13Å; N362-E365 HydrophobicContact CB-CG 4.43Å; N362-E365 WeakPolarHBondContact ND2-CG 3.49Å; N362-E365 PolarHBondContact ND2-OE1 3.16Å; N362-E365 PolarHBondContact ND2-OE2 2.83Å; N362-E365 PolarHBondContact O-N 3.32Å; N362-E365 VanDerWaalsContact O-N 3.17Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.06Å; E365-A368 PolarHBondContact O-N 3.22Å; E365-Y369 WeakPolarHBondContact O-CB 3.28Å; E365-Y369 PolarHBondContact O-N 3.03Å
366A96.5Very high95.3Very high4 Ų432 Ų323%0.03316%0.162CC..Hα-helixtrans-55.9-38.3-173.200000114.1A177 A180 I361 N362 Y369 G370A177-A366 HydrophobicContact CB-CB 4.29Å; A180-A366 HydrophobicContact CB-CB 4.18Å; A180-A366 VanDerWaalsContact CB-O 3.27Å; A180-A366 WeakPolarHBondContact CB-O 3.42Å; I361-A366 HydrophobicContact CB-CB 4.36Å; I361-A366 HydrophobicContact CD1-CB 3.6Å; I361-A366 HydrophobicContact CG1-CB 4.11Å; N362-A366 WeakPolarHBondContact O-CB 3.47Å; N362-A366 PolarHBondContact O-N 3.28Å; A366-Y369 WeakPolarHBondContact O-CB 3.44Å; A366-Y369 PolarHBondContact O-N 2.88Å; A366-G370 PolarHBondContact O-N 3.23Å
367V97.8Very high95Very high6 Ų626.3 Ų26.34%0.03614%0.137CC..Hα-helixtrans-66.9-50.8180175.40000110.7D8 T143 E173 A176 A177 V335 E365 Y369 G370 A371D8-V367 HydrophobicContact CB-CB 4.23Å; D8-V367 HydrophobicContact CB-CG1 3.83Å; T143-V367 HydrophobicContact CG2-CG1 3.44Å; T143-V367 VanDerWaalsContact CG2-CG1 3.44Å; E173-V367 HydrophobicContact CB-CG1 4.15Å; E173-V367 HydrophobicContact CB-CG2 4.34Å; E173-V367 HydrophobicContact CG-CG1 3.83Å; A176-V367 HydrophobicContact CB-CG1 4.41Å; A176-V367 WeakPolarHBondContact CB-O 3.42Å; A177-V367 HydrophobicContact CB-CG2 4.33Å; V335-V367 HydrophobicContact CG1-CG2 3.55Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.06Å; V367-Y369 PolarHBondContact O-N 3.38Å; V367-G370 PolarHBondContact O-N 2.95Å; V367-A371 WeakPolarHBondContact O-CB 3.4Å; V367-A371 PolarHBondContact O-N 3.3Å
368A98.2Very high94.7Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-62.7-34.3175.700000111.7D8 C15 I26 E365 A371 A372D8-A368 HydrophobicContact CB-CB 3.84Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.53Å; I26-A368 HydrophobicContact CD1-CB 4.22Å; E365-A368 PolarHBondContact O-N 3.22Å; A368-A371 PolarHBondContact O-N 2.87Å; A368-A372 WeakPolarHBondContact O-CB 3.36Å; A368-A372 PolarHBondContact O-N 3.49Å
369Y97Very high94.5Very high50 Ų5030 Ų3020%0.19616%0.16CC..Hα-helixtrans-59.7-53.8175.6-172.3-68.4000111.1V24 A180 L183 E365 A366 V367 A371 A372 V373V24-Y369 HydrophobicContact CB-CD1 4.25Å; V24-Y369 HydrophobicContact CB-CD2 3.66Å; V24-Y369 HydrophobicContact CB-CE1 4.03Å; V24-Y369 HydrophobicContact CB-CE2 3.46Å; V24-Y369 VanDerWaalsContact CB-CE2 3.46Å; V24-Y369 HydrophobicContact CB-CG 4.05Å; V24-Y369 HydrophobicContact CG1-CD1 4.41Å; V24-Y369 HydrophobicContact CG1-CD2 3.63Å; V24-Y369 HydrophobicContact CG1-CE2 3.99Å; V24-Y369 HydrophobicContact CG1-CG 3.86Å; V24-Y369 HydrophobicContact CG2-CD1 3.83Å; V24-Y369 HydrophobicContact CG2-CD2 4.18Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 3.96Å; V24-Y369 HydrophobicContact CG2-CG 4.11Å; A180-Y369 HydrophobicContact CB-CD1 3.57Å; A180-Y369 HydrophobicContact CB-CE1 4.38Å; A180-Y369 HydrophobicContact CB-CG 3.99Å; L183-Y369 HydrophobicContact CD2-CE1 3.98Å; E365-Y369 WeakPolarHBondContact O-CB 3.28Å; E365-Y369 PolarHBondContact O-N 3.03Å; A366-Y369 WeakPolarHBondContact O-CB 3.44Å; A366-Y369 PolarHBondContact O-N 2.88Å; V367-Y369 PolarHBondContact O-N 3.38Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 3.43Å; Y369-A372 WeakPolarHBondContact O-CB 3.3Å; Y369-A372 PolarHBondContact O-N 3.24Å; Y369-A372 VanDerWaalsContact O-N 3.13Å; Y369-V373 HydrophobicContact CD1-CG2 4.06Å; Y369-V373 HydrophobicContact CE1-CG2 3.87Å; Y369-V373 WeakPolarHBondContact O-CG2 3.27Å; Y369-V373 PolarHBondContact O-N 2.67Å; Y369-V373 VanDerWaalsContact O-N 3.07Å
370G95.7Very high94.1Very high0 Ų025.7 Ų25.70%015%0.153CC..Hα-helixtrans-63.4-37.5178.500000113.4A176 A366 V367 A372 V373 Q374A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.26Å; A366-G370 PolarHBondContact O-N 3.23Å; V367-G370 PolarHBondContact O-N 2.95Å; G370-A372 VanDerWaalsContact C-N 3.28Å; G370-A372 PolarHBondContact O-N 2.98Å; G370-V373 PolarHBondContact O-N 2.87Å; G370-Q374 PolarHBondContact O-N 2.84Å
371A97.3Very high93.6Very high0 Ų024.6 Ų24.60%014%0.142CC..Hα-helixtrans-61.7-38.1173.900000111.7V141 T143 I171 V367 A368 Y369 Q374 A375V141-A371 HydrophobicContact CG1-CB 4.24Å; T143-A371 HydrophobicContact CG2-CB 3.77Å; I171-A371 HydrophobicContact CG2-CB 4.28Å; V367-A371 WeakPolarHBondContact O-CB 3.4Å; V367-A371 PolarHBondContact O-N 3.3Å; A368-A371 PolarHBondContact O-N 2.87Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 3.43Å; A371-Q374 PolarHBondContact O-N 3.44Å; A371-A375 WeakPolarHBondContact O-CB 3.42Å; A371-A375 PolarHBondContact O-N 2.95Å
372A96.2Very high92.8Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-69.1-38177.900000112.1V24 A368 Y369 G370 A375 A376V24-A372 HydrophobicContact CG1-CB 3.92Å; V24-A372 HydrophobicContact CG2-CB 4.43Å; A368-A372 WeakPolarHBondContact O-CB 3.36Å; A368-A372 PolarHBondContact O-N 3.49Å; Y369-A372 WeakPolarHBondContact O-CB 3.3Å; Y369-A372 PolarHBondContact O-N 3.24Å; Y369-A372 VanDerWaalsContact O-N 3.13Å; G370-A372 VanDerWaalsContact C-N 3.28Å; G370-A372 PolarHBondContact O-N 2.98Å; A372-A375 PolarHBondContact O-N 3.18Å; A372-A376 PolarHBondContact O-N 3.26Å
373V94.2Very high92Very high0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-60.6-48.6171.2175.70000110.4V24 I179 L183 Y369 G370 A375 A376 I377 V386 L389V24-V373 HydrophobicContact CG2-CG2 3.52Å; I179-V373 HydrophobicContact CG2-CB 3.74Å; I179-V373 HydrophobicContact CG2-CG1 3.64Å; I179-V373 HydrophobicContact CG2-CG2 4.08Å; L183-V373 HydrophobicContact CD1-CG1 4.36Å; L183-V373 HydrophobicContact CD2-CG2 3.92Å; Y369-V373 HydrophobicContact CD1-CG2 4.06Å; Y369-V373 HydrophobicContact CE1-CG2 3.87Å; Y369-V373 WeakPolarHBondContact O-CG2 3.27Å; Y369-V373 PolarHBondContact O-N 2.67Å; Y369-V373 VanDerWaalsContact O-N 3.07Å; G370-V373 PolarHBondContact O-N 2.87Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.82Å; V373-A376 VanDerWaalsContact O-CB 3.28Å; V373-A376 WeakPolarHBondContact O-CB 3.37Å; V373-A376 PolarHBondContact O-N 2.94Å; V373-A376 VanDerWaalsContact O-N 3.12Å; V373-I377 HydrophobicContact CG1-CD1 4.11Å; V373-I377 WeakPolarHBondContact O-CG1 3.42Å; V373-I377 PolarHBondContact O-N 3.43Å; V373-I377 VanDerWaalsContact O-N 3.1Å; V373-V386 HydrophobicContact CG1-CG1 3.85Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å
374Q93.9Very high91.1Very high9 Ų937.4 Ų37.44%0.04220%0.198CC..Hα-helixtrans-62-38.4178.5-171.664.321.500112V141 I171 G370 A371 A376 I377 L378V141-Q374 HydrophobicContact CG1-CB 4.33Å; V141-Q374 HydrophobicContact CG1-CG 4.33Å; V141-Q374 HydrophobicContact CG2-CG 4.37Å; I171-Q374 HydrophobicContact CD1-CB 4.05Å; I171-Q374 HydrophobicContact CD1-CG 4.1Å; G370-Q374 PolarHBondContact O-N 2.84Å; A371-Q374 PolarHBondContact O-N 3.44Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-I377 PolarHBondContact O-N 2.93Å; Q374-L378 HydrophobicContact CG-CD1 4.11Å; Q374-L378 WeakPolarHBondContact O-CG 3.45Å; Q374-L378 PolarHBondContact O-N 3.37Å; Q374-L378 VanDerWaalsContact O-N 3.09Å
375A95.1Very high90Very high0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-61.8-41.5175.100000111.5A4 V141 A371 A372 V373 L378 S379A4-A375 HydrophobicContact CB-CB 3.8Å; V141-A375 HydrophobicContact CB-CB 4.14Å; V141-A375 HydrophobicContact CG2-CB 3.74Å; A371-A375 WeakPolarHBondContact O-CB 3.42Å; A371-A375 PolarHBondContact O-N 2.95Å; A372-A375 PolarHBondContact O-N 3.18Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.82Å; A375-L378 PolarHBondContact O-N 2.85Å; A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 2.94Å; A375-S379 PolarHBondContact O-OG 3.46Å
376A93Very high89.1Confident3 Ų335.7 Ų35.73%0.02520%0.198CC..Hα-helixtrans-59.1-49.9176.100000111.8F19 A372 V373 Q374 L378 S379 G380 D381F19-A376 HydrophobicContact CB-CB 3.48Å; F19-A376 VanDerWaalsContact CB-CB 3.48Å; F19-A376 HydrophobicContact CD1-CB 3.78Å; F19-A376 HydrophobicContact CD2-CB 4.39Å; F19-A376 HydrophobicContact CG-CB 3.64Å; A372-A376 PolarHBondContact O-N 3.26Å; V373-A376 VanDerWaalsContact O-CB 3.28Å; V373-A376 WeakPolarHBondContact O-CB 3.37Å; V373-A376 PolarHBondContact O-N 2.94Å; V373-A376 VanDerWaalsContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.26Å; A376-S379 WeakPolarHBondContact CA-OG 3.45Å; A376-S379 PolarHBondContact O-N 3.46Å; A376-S379 VanDerWaalsContact O-N 3.16Å; A376-S379 PolarHBondContact O-OG 3.02Å; A376-G380 PolarHBondContact O-N 3.01Å; A376-D381 HydrophobicContact CB-CB 4.08Å; A376-D381 WeakPolarHBondContact O-CB 3.33Å; A376-D381 PolarHBondContact O-N 2.9Å
377I90.6Very high88Confident47 Ų4740.9 Ų40.924%0.24122%0.221CC..Hα-helixtrans-57-48.4178.9-65165.3000110.4V373 Q374 S379 G380 V386 L389V373-I377 HydrophobicContact CG1-CD1 4.11Å; V373-I377 WeakPolarHBondContact O-CG1 3.42Å; V373-I377 PolarHBondContact O-N 3.43Å; V373-I377 VanDerWaalsContact O-N 3.1Å; Q374-I377 PolarHBondContact O-N 2.93Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.22Å; I377-G380 PolarHBondContact O-N 3Å; I377-G380 VanDerWaalsContact O-N 3.11Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.87Å; I377-V386 HydrophobicContact CG1-CG2 4.3Å; I377-L389 HydrophobicContact CD1-CB 3.77Å; I377-L389 HydrophobicContact CD1-CD1 4.28Å; I377-L389 HydrophobicContact CD1-CD2 3.85Å; I377-L389 HydrophobicContact CD1-CG 4.16Å
378L91Very high87.1Confident63 Ų6346.8 Ų46.833%0.3325%0.253SS..Hα-helixtrans-71.3-25.4-178.4-65.6172.7000113.2V141 L168 R169 Q374 A375 A376V141-L378 HydrophobicContact CG2-CD1 3.96Å; L168-L378 HydrophobicContact CB-CB 4.46Å; L168-L378 HydrophobicContact CB-CD1 4.01Å; L168-L378 HydrophobicContact CD1-CB 4.02Å; R169-L378 HydrophobicContact CB-CD1 3.52Å; R169-L378 HydrophobicContact CG-CD1 4.33Å; Q374-L378 HydrophobicContact CG-CD1 4.11Å; Q374-L378 WeakPolarHBondContact O-CG 3.45Å; Q374-L378 PolarHBondContact O-N 3.37Å; Q374-L378 VanDerWaalsContact O-N 3.09Å; A375-L378 PolarHBondContact O-N 2.85Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.26Å
379S89.6Confident86.5Confident45 Ų4547.9 Ų47.932%0.31526%0.258SS..THydrogen-bonded Turntrans-80.1-3.8172.571.30000113.8A375 A376 I377A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 2.94Å; A375-S379 PolarHBondContact O-OG 3.46Å; A376-S379 WeakPolarHBondContact CA-OG 3.45Å; A376-S379 PolarHBondContact O-N 3.46Å; A376-S379 VanDerWaalsContact O-N 3.16Å; A376-S379 PolarHBondContact O-OG 3.02Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.22Å
380G84.1Confident86Confident42 Ų4249.8 Ų49.843%0.43327%0.271SS..THydrogen-bonded Turntrans80.328.7177.900000114.3A376 I377A376-G380 PolarHBondContact O-N 3.01Å; I377-G380 PolarHBondContact O-N 3Å; I377-G380 VanDerWaalsContact O-N 3.11Å
381D79.7Confident85.7Confident50 Ų5051.1 Ų51.127%0.26728%0.279SS..  trans-57.7139171-160.4-55.7000110A376 C383A376-D381 HydrophobicContact CB-CB 4.08Å; A376-D381 WeakPolarHBondContact O-CB 3.33Å; A376-D381 PolarHBondContact O-N 2.9Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å
382K75.7Confident85.5Confident165 Ų16553.6 Ų53.672%0.71729%0.291SS*.  trans-105.111.4-175.1-62.4-171.7179.1-175.80113E384K382-E384 PolarHBondContact O-N 3.16Å
383C78.5Confident85.3Confident35 Ų3554.3 Ų54.324%0.23630%0.295CS..  trans-62.4128.8175.4-172.30000110.3F19 D381 A385 V386 Q387F19-C383 HydrophobicContact CE1-CB 3.9Å; F19-C383 HydrophobicContact CZ-CB 4.13Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å; C383-A385 PolarHBondContact O-N 3.35Å; C383-A385 VanDerWaalsContact O-N 3.07Å; C383-V386 HydrophobicContact CB-CG2 4.24Å; C383-V386 WeakPolarHBondContact O-CG2 3.48Å; C383-V386 PolarHBondContact O-N 2.76Å; C383-Q387 PolarHBondContact O-N 2.77Å
384E76.2Confident85.2Confident173 Ų17354.3 Ų54.381%0.80830%0.295SS*.Hα-helixtrans-54.1-29.5177.9-70.6-176.8170.200112.4K382 V386K382-E384 PolarHBondContact O-N 3.16Å; E384-V386 PolarHBondContact O-N 3.28Å
385A72.9Confident84.9Confident56 Ų5654.1 Ų54.146%0.46330%0.295SS..Hα-helixtrans-62.8-22.1-179.900000114.2L183 C383L183-A385 VanDerWaalsContact CD1-O 3.27Å; L183-A385 WeakPolarHBondContact CD1-O 3.4Å; C383-A385 PolarHBondContact O-N 3.35Å; C383-A385 VanDerWaalsContact O-N 3.07Å
386V78.9Confident84.3Confident1 Ų154.7 Ų54.71%0.00630%0.299CS..Hα-helixtrans-123.5-11.5-173.4-59.60000114.1F19 L183 V373 I377 C383 E384 D388 L389F19-V386 HydrophobicContact CD2-CG1 4.47Å; F19-V386 HydrophobicContact CE2-CG1 3.76Å; F19-V386 HydrophobicContact CZ-CG1 3.8Å; L183-V386 HydrophobicContact CD1-CG1 4.25Å; V373-V386 HydrophobicContact CG1-CG1 3.85Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.87Å; I377-V386 HydrophobicContact CG1-CG2 4.3Å; C383-V386 HydrophobicContact CB-CG2 4.24Å; C383-V386 WeakPolarHBondContact O-CG2 3.48Å; C383-V386 PolarHBondContact O-N 2.76Å; E384-V386 PolarHBondContact O-N 3.28Å; V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.67Å; V386-L389 PolarHBondContact O-N 3.33Å
387Q72.9Confident83.9Confident114 Ų11455.6 Ų55.653%0.53330%0.303SS..Hα-helixtrans-64.6-34.3-175-87.1-170-28.500113.9C383 L389C383-Q387 PolarHBondContact O-N 2.77Å; Q387-L389 VanDerWaalsContact C-N 3.34Å
388D78.5Confident83.9Confident130 Ų13053.9 Ų53.970%0.69530%0.295SS*.THydrogen-bonded Turntrans-92.87.1-175.4-62.7-33.1000113.1V386 L390V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.67Å; D388-L390 PolarHBondContact O-N 2.77Å
389L85.1Confident83.9Confident23 Ų2351.4 Ų51.412%0.1228%0.283CS..  trans-77.9114-177.6-165.6151.3000111I179 L183 G213 F215 V373 I377 V386 Q387 L391I179-L389 HydrophobicContact CD1-CD2 4.36Å; I179-L389 HydrophobicContact CG1-CD1 4.32Å; I179-L389 HydrophobicContact CG1-CD2 4.46Å; I179-L389 HydrophobicContact CG2-CD1 3.83Å; L183-L389 HydrophobicContact CD1-CD1 4.48Å; G213-L389 WeakPolarHBondContact O-CA 3.49Å; F215-L389 HydrophobicContact CD2-CD1 4.25Å; F215-L389 HydrophobicContact CD2-CD2 4.22Å; F215-L389 HydrophobicContact CD2-CG 3.9Å; F215-L389 HydrophobicContact CE2-CD1 3.72Å; F215-L389 HydrophobicContact CE2-CD2 4.5Å; F215-L389 HydrophobicContact CE2-CG 3.74Å; F215-L389 HydrophobicContact CZ-CD1 4.36Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å; I377-L389 HydrophobicContact CD1-CB 3.77Å; I377-L389 HydrophobicContact CD1-CD1 4.28Å; I377-L389 HydrophobicContact CD1-CD2 3.85Å; I377-L389 HydrophobicContact CD1-CG 4.16Å; V386-L389 PolarHBondContact O-N 3.33Å; Q387-L389 VanDerWaalsContact C-N 3.34Å; L389-L391 HydrophobicContact CD2-CB 4.5Å
390L87.7Confident84Confident89 Ų8949.3 Ų49.347%0.46627%0.268SS..EExtended strand (participates in β ladder)trans-110.2122.8173.6-179.463.8000110.3G213 I214 F215 D388 L392G213-L390 PolarHBondContact O-N 3.13Å; I214-L390 WeakPolarHBondContact CA-O 3.45Å; I214-L390 HydrophobicContact CG1-CB 4.34Å; I214-L390 HydrophobicContact CG1-CD2 4.47Å; I214-L390 HydrophobicContact CG2-CD2 4.41Å; F215-L390 PolarHBondContact N-O 2.8Å; D388-L390 PolarHBondContact O-N 2.77Å; L390-L392 HydrophobicContact CD2-CG 4.5Å; L390-L392 HydrophobicContact CG-CD2 4.47Å; L390-L392 HydrophobicContact CG-CG 4.37Å
391L89.6Confident84.4Confident29 Ų2947.8 Ų47.815%0.15225%0.249CC..EExtended strand (participates in β ladder)trans-104.4121.6177.8-165.878.2000111I171 T175 I179 F215 L389I171-L391 HydrophobicContact CD1-CD2 4.27Å; T175-L391 HydrophobicContact CG2-CD1 3.18Å; T175-L391 HydrophobicContact CG2-CD2 3.71Å; T175-L391 HydrophobicContact CG2-CG 3.81Å; I179-L391 HydrophobicContact CD1-CD1 4.1Å; I179-L391 HydrophobicContact CG1-CD1 4.3Å; F215-L391 HydrophobicContact CB-CD1 3.89Å; L389-L391 HydrophobicContact CD2-CB 4.5Å
392L92Very high84.7Confident51 Ų5148.6 Ų48.627%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-118.196.9173.3-61.3176.2000108.8I214 F215 E216 V217 L390 T417I214-L392 HydrophobicContact CG2-CD1 4.27Å; F215-L392 PolarHBondContact O-N 3.34Å; E216-L392 WeakPolarHBondContact CA-O 3.3Å; E216-L392 HydrophobicContact CB-CB 4.25Å; E216-L392 HydrophobicContact CB-CD1 4.42Å; E216-L392 HydrophobicContact CG-CB 3.97Å; E216-L392 HydrophobicContact CG-CD1 4.16Å; V217-L392 PolarHBondContact N-O 2.93Å; L390-L392 HydrophobicContact CD2-CG 4.5Å; L390-L392 HydrophobicContact CG-CD2 4.47Å; L390-L392 HydrophobicContact CG-CG 4.37Å; L392-T417 HydrophobicContact CB-CG2 4.07Å; L392-T417 HydrophobicContact CD2-CG2 4.39Å
393D92Very high84.8Confident15 Ų1542.7 Ų42.78%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-92.9177.7178.7-145-41.4000111.1N172 T175 V217 T417 I418N172-D393 PolarHBondContact ND2-OD1 3.43Å; N172-D393 PolarHBondContact ND2-OD2 3.03Å; T175-D393 PolarHBondContact OG1-OD2 3.36Å; V217-D393 HydrophobicContact CG2-CB 4.44Å; D393-T417 CarbonylContact O-C 3.5Å; D393-T417 VanDerWaalsContact O-CA 3.26Å; D393-T417 WeakPolarHBondContact O-CA 3.25Å; D393-I418 HydrophobicContact CB-CD1 4.39Å; D393-I418 HydrophobicContact CB-CG1 4.16Å; D393-I418 WeakPolarHBondContact O-CG1 3.33Å; D393-I418 PolarHBondContact O-N 3.23Å
394V92.4Very high84.6Confident1 Ų145.2 Ų45.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-132.9158.7-177.2-61.50000113.7V217 T220 N415 T416V217-V394 HydrophobicContact CB-CG1 4.21Å; V217-V394 HydrophobicContact CB-CG2 4.21Å; V217-V394 HydrophobicContact CG1-CG1 4.42Å; V217-V394 HydrophobicContact CG1-CG2 3.65Å; V217-V394 WeakPolarHBondContact O-CG1 3.47Å; T220-V394 HydrophobicContact CG2-CG2 4.13Å; V394-N415 WeakPolarHBondContact CG1-O 3.47Å; V394-T416 CarbonylContact C-O 3.55Å; V394-T416 VanDerWaalsContact CA-O 3.24Å; V394-T416 WeakPolarHBondContact CA-O 2.96Å; V394-T416 WeakPolarHBondContact CB-O 3.49Å
395A88.2Confident84.5Confident4 Ų440.6 Ų40.63%0.03325%0.252CS..  trans-73.4123169.900000110.8L397 I412 R414 N415 T416 I418 I478A395-L397 VanDerWaalsContact C-N 3.33Å; A395-L397 PolarHBondContact O-N 2.77Å; A395-I412 HydrophobicContact CB-CG2 4.48Å; A395-R414 CarbonylContact O-C 3.53Å; A395-R414 WeakPolarHBondContact O-CA 3.32Å; A395-N415 PolarHBondContact O-N 3.16Å; A395-T416 PolarHBondContact N-O 3.48Å; A395-I418 HydrophobicContact CB-CG2 4.2Å; A395-I478 HydrophobicContact CB-CD1 4.1Å
396P81.7Confident84.9Confident13 Ų1339 Ų398%0.08424%0.24CC..SBendtrans-72.7-24.2-174.628.5-36.1000113.9A146 Y147 T220A146-P396 WeakPolarHBondContact O-CB 3.28Å; A146-P396 WeakPolarHBondContact O-CG 3.47Å; Y147-P396 HydrophobicContact CD2-CB 4.03Å; Y147-P396 HydrophobicContact CE2-CB 4.5Å; T220-P396 HydrophobicContact CG2-CB 3.81Å
397L85.2Confident85Confident22 Ų2241.8 Ų41.812%0.11526%0.257CS..SBendtrans-133.1150.6-176-67.9170.4000110.1Y147 A395 E442 E444Y147-L397 HydrophobicContact CE1-CD2 4.26Å; Y147-L397 HydrophobicContact CE2-CD2 4.11Å; Y147-L397 WeakPolarHBondContact OH-CD2 3Å; A395-L397 VanDerWaalsContact C-N 3.33Å; A395-L397 PolarHBondContact O-N 2.77Å; L397-E442 HydrophobicContact CB-CG 3.43Å; L397-E442 VanDerWaalsContact CB-CG 3.43Å; L397-E442 VanDerWaalsContact CD1-CD 3.41Å; L397-E442 HydrophobicContact CD1-CG 3.62Å; L397-E442 HydrophobicContact CG-CG 4.15Å; L397-E444 HydrophobicContact CD2-CG 4.37Å
398S89.6Confident85.7Confident11 Ų1137.5 Ų37.58%0.07724%0.237CC..  trans-70.8135176.1-56.20000110.3I412 R414 E442 G443 E444S398-I412 CarbonylContact C-O 3.53Å; S398-I412 VanDerWaalsContact CA-O 3.29Å; S398-I412 WeakPolarHBondContact CA-O 3.35Å; S398-R414 PolarHBondContact OG-N 3.18Å; S398-E442 WeakPolarHBondContact O-CA 3.44Å; S398-G443 PolarHBondContact O-N 3.01Å; S398-E444 WeakPolarHBondContact CB-OE1 3.45Å; S398-E444 PolarHBondContact N-OE1 3.49Å; S398-E444 PolarHBondContact OG-OE1 3.36Å; S398-E444 PolarHBondContact OG-OE2 3.37Å
399L91.9Very high86.1Confident11 Ų1133 Ų336%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-112132.4179.5-63.7165.9000109.4L411 I412 F441 E442 L454 F476 I478 L484L399-L411 PolarHBondContact O-N 2.86Å; L399-I412 HydrophobicContact CB-CB 4.39Å; L399-I412 PolarHBondContact N-O 3.2Å; L399-I412 PolarHBondContact O-N 3.19Å; L399-I412 VanDerWaalsContact O-N 3.07Å; L399-F441 WeakPolarHBondContact CA-O 3.39Å; L399-E442 HydrophobicContact CD2-CB 3.72Å; L399-E442 HydrophobicContact CD2-CG 3.81Å; L399-L454 HydrophobicContact CD2-CD1 3.52Å; L399-F476 HydrophobicContact CB-CD1 4.12Å; L399-F476 HydrophobicContact CB-CE1 4.24Å; L399-I478 HydrophobicContact CD1-CD1 3.34Å; L399-I478 HydrophobicContact CD1-CG1 3.93Å; L399-L484 HydrophobicContact CD1-CD1 4.31Å; L399-L484 HydrophobicContact CD1-CD2 4.21Å; L399-L484 HydrophobicContact CD2-CD2 4.12Å
400G92.1Very high86.4Confident0 Ų033.9 Ų33.90%023%0.226CC..EExtended strand (participates in β ladder)trans-164.3-171.8-171.500000112.7M408 T409 V440 F441G400-M408 VanDerWaalsContact CA-CE 3.42Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; G400-T409 CarbonylContact C-O 3.55Å; G400-T409 WeakPolarHBondContact CA-O 3.46Å; G400-V440 WeakPolarHBondContact O-CA 3.49Å; G400-F441 PolarHBondContact N-O 3.12Å; G400-F441 PolarHBondContact O-N 2.88Å
401L91.6Very high86.6Confident10 Ų1030.6 Ų30.65%0.05221%0.208CC..EExtended strand (participates in β ladder)trans-134.6159.3-178.862.692.9000112.3T403 T409 L411 F426 Q439 V474 F476L401-T403 HydrophobicContact CD1-CG2 3.77Å; L401-T403 PolarHBondContact O-N 3.02Å; L401-T409 PolarHBondContact N-O 2.92Å; L401-T409 PolarHBondContact O-N 3.44Å; L401-L411 HydrophobicContact CD2-CD1 3.92Å; L401-L411 HydrophobicContact CD2-CD2 4.43Å; L401-L411 HydrophobicContact CG-CD1 4.12Å; L401-F426 HydrophobicContact CD1-CD1 4.2Å; L401-F426 HydrophobicContact CD1-CE1 3.78Å; L401-F426 HydrophobicContact CD1-CE2 4.47Å; L401-F426 HydrophobicContact CD1-CZ 3.95Å; L401-F426 HydrophobicContact CD2-CD2 4.27Å; L401-F426 HydrophobicContact CD2-CE1 4.38Å; L401-F426 HydrophobicContact CD2-CE2 3.63Å; L401-F426 HydrophobicContact CD2-CZ 3.71Å; L401-F426 HydrophobicContact CG-CE1 4.4Å; L401-F426 HydrophobicContact CG-CE2 4.47Å; L401-F426 HydrophobicContact CG-CZ 4.07Å; L401-Q439 WeakPolarHBondContact CA-O 3.44Å; L401-Q439 VanDerWaalsContact CB-O 3.3Å; L401-Q439 WeakPolarHBondContact CB-O 3.39Å; L401-V474 HydrophobicContact CD2-CB 4.41Å; L401-V474 HydrophobicContact CD2-CG1 4.05Å; L401-F476 HydrophobicContact CB-CZ 4.3Å; L401-F476 HydrophobicContact CD2-CE2 3.91Å; L401-F476 HydrophobicContact CD2-CZ 4.19Å
402E86.3Confident86.8Confident67 Ų6729.3 Ų29.331%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-72.5124.2174-169.8169.1-64.600111.3Q439 F441 T448E402-Q439 HydrophobicContact CB-CB 4.28Å; E402-Q439 VanDerWaalsContact CD-NE2 3.33Å; E402-Q439 PolarHBondContact N-O 3.2Å; E402-Q439 VanDerWaalsContact N-O 3.11Å; E402-Q439 PolarHBondContact OE1-NE2 3.13Å; E402-Q439 PolarHBondContact OE2-NE2 3.42Å; E402-F441 HydrophobicContact CB-CD2 4.42Å; E402-F441 HydrophobicContact CB-CE2 3.76Å; E402-T448 HydrophobicContact CB-CG2 3.76Å; E402-T448 HydrophobicContact CG-CG2 3.85Å; E402-T448 WeakPolarHBondContact OE1-CB 3.4Å; E402-T448 PolarHBondContact OE1-OG1 3.01Å
403T78.7Confident86.9Confident42 Ų4233.9 Ų33.926%0.25822%0.219SC..EExtended strand (participates in β ladder)trans-108.5177.6167.657.60000110.9L401 G405 G406 V407 T409 F426L401-T403 HydrophobicContact CD1-CG2 3.77Å; L401-T403 PolarHBondContact O-N 3.02Å; T403-G405 PolarHBondContact O-N 3.34Å; T403-G406 PolarHBondContact O-N 2.87Å; T403-G406 VanDerWaalsContact O-N 3.14Å; T403-V407 PolarHBondContact N-O 3.08Å; T403-V407 PolarHBondContact O-N 3.01Å; T403-V407 PolarHBondContact OG1-O 3.38Å; T403-T409 HydrophobicContact CG2-CG2 4.42Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.2Å; T403-T409 PolarHBondContact OG1-OG1 2.88Å; T403-F426 HydrophobicContact CG2-CD1 4.3Å; T403-F426 HydrophobicContact CG2-CE1 3.9Å
404A74.1Confident86.8Confident88 Ų8836.1 Ų36.173%0.72723%0.226SC*.THydrogen-bonded Turntrans-49.6132.4-175.700000112.2
405G73.6Confident86.8Confident76 Ų7637.3 Ų37.378%0.78423%0.233SC*.THydrogen-bonded Turntrans87.88.7-177.600000115.3T403 V407T403-G405 PolarHBondContact O-N 3.34Å; G405-V407 VanDerWaalsContact C-N 3.32Å
406G80.1Confident87.1Confident21 Ų2139 Ų3922%0.21624%0.243CC..THydrogen-bonded Turntrans73.926.4-179.900000112.7T403 L447 T448T403-G406 PolarHBondContact O-N 2.87Å; T403-G406 VanDerWaalsContact O-N 3.14Å; G406-L447 WeakPolarHBondContact O-CA 3.33Å; G406-T448 PolarHBondContact O-N 3.02Å; G406-T448 PolarHBondContact O-OG1 3.45Å
407V81.3Confident87.7Confident61 Ų6141 Ų4137%0.3726%0.255SS..EExtended strand (participates in β ladder)trans-89.9136.7-177.4-179.20000109.5T403 G405 L447T403-V407 PolarHBondContact N-O 3.08Å; T403-V407 PolarHBondContact O-N 3.01Å; T403-V407 PolarHBondContact OG1-O 3.38Å; G405-V407 VanDerWaalsContact C-N 3.32Å; V407-L447 HydrophobicContact CG2-CD2 4.43Å
408M87.6Confident88Confident23 Ų2340.4 Ų40.411%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-77.7119.8174.8179.357.7168.600110.1G400 F441 A446 T448G400-M408 VanDerWaalsContact CA-CE 3.42Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; M408-F441 HydrophobicContact CE-CB 3.86Å; M408-F441 WeakPolarHBondContact CE-O 3.4Å; M408-F441 HydrophobicContact SD-CB 3.76Å; M408-A446 PolarHBondContact N-O 2.87Å; M408-T448 HydrophobicContact CB-CG2 4.09Å; M408-T448 HydrophobicContact SD-CG2 4.35Å
409T88.4Confident88.2Confident37 Ų3744 Ų4423%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-108.5104.7171.5-57.30000109.1G400 L401 T403 L411 F426G400-T409 CarbonylContact C-O 3.55Å; G400-T409 WeakPolarHBondContact CA-O 3.46Å; L401-T409 PolarHBondContact N-O 2.92Å; L401-T409 PolarHBondContact O-N 3.44Å; T403-T409 HydrophobicContact CG2-CG2 4.42Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.2Å; T403-T409 PolarHBondContact OG1-OG1 2.88Å; T409-L411 WeakPolarHBondContact O-CD1 3.45Å; T409-F426 HydrophobicContact CG2-CE1 4.46Å
410A89.5Confident88.3Confident41 Ų4144.8 Ų44.834%0.33928%0.28SS..EExtended strand (participates in β ladder)trans-75.9125.7179.600000111.3
411L93.1Very high88.5Confident20 Ų2050.9 Ų50.911%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-95.9-40173.4-81.473.3000110.8L399 L401 T409 Q424 F426 F476L399-L411 PolarHBondContact O-N 2.86Å; L401-L411 HydrophobicContact CD2-CD1 3.92Å; L401-L411 HydrophobicContact CD2-CD2 4.43Å; L401-L411 HydrophobicContact CG-CD1 4.12Å; T409-L411 WeakPolarHBondContact O-CD1 3.45Å; L411-Q424 HydrophobicContact CD2-CB 3.96Å; L411-Q424 HydrophobicContact CG-CB 4.27Å; L411-F426 HydrophobicContact CD1-CE2 4.44Å; L411-F426 HydrophobicContact CD1-CZ 3.98Å; L411-F426 HydrophobicContact CD2-CE2 4.26Å; L411-F476 HydrophobicContact CB-CD2 4.4Å; L411-F476 HydrophobicContact CB-CG 4.3Å; L411-F476 HydrophobicContact CD1-CE2 4.47Å; L411-F476 HydrophobicContact CD2-CD2 3.48Å; L411-F476 VanDerWaalsContact CD2-CD2 3.48Å; L411-F476 HydrophobicContact CD2-CE2 3.69Å; L411-F476 HydrophobicContact CD2-CG 4.16Å; L411-F476 HydrophobicContact CG-CD2 4.45Å
412I94.4Very high88.7Confident1 Ų154.5 Ų54.51%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-115.7117.4172.9-60.6171.6000106.9A395 S398 L399 T416 T420 Q422 F476 I478A395-I412 HydrophobicContact CB-CG2 4.48Å; S398-I412 CarbonylContact C-O 3.53Å; S398-I412 VanDerWaalsContact CA-O 3.29Å; S398-I412 WeakPolarHBondContact CA-O 3.35Å; L399-I412 HydrophobicContact CB-CB 4.39Å; L399-I412 PolarHBondContact N-O 3.2Å; L399-I412 PolarHBondContact O-N 3.19Å; L399-I412 VanDerWaalsContact O-N 3.07Å; I412-T416 HydrophobicContact CG2-CG2 4.1Å; I412-T420 HydrophobicContact CD1-CG2 3.95Å; I412-T420 HydrophobicContact CG1-CG2 4.47Å; I412-T420 HydrophobicContact CG2-CG2 4.2Å; I412-Q422 HydrophobicContact CD1-CB 4.44Å; I412-Q422 HydrophobicContact CD1-CG 4.42Å; I412-Q422 HydrophobicContact CG1-CB 3.86Å; I412-Q422 HydrophobicContact CG1-CG 3.67Å; I412-F476 HydrophobicContact CD1-CB 3.67Å; I412-F476 HydrophobicContact CG1-CB 4.27Å; I412-I478 HydrophobicContact CB-CD1 4.28Å; I412-I478 HydrophobicContact CD1-CD1 3.46Å; I412-I478 VanDerWaalsContact CD1-CD1 3.46Å; I412-I478 HydrophobicContact CD1-CG1 3.67Å; I412-I478 HydrophobicContact CG1-CD1 4.43Å; I412-I478 HydrophobicContact CG2-CD1 3.78Å
413K92.3Very high89.1Confident148 Ų14854.4 Ų54.464%0.64333%0.327SS*.  trans-80.1154.6179.1-64.3-179.1-178.51770109.9T416K413-T416 PolarHBondContact N-OG1 2.93Å; K413-T416 VanDerWaalsContact O-CB 3.29Å; K413-T416 WeakPolarHBondContact O-CB 3.47Å; K413-T416 PolarHBondContact O-N 3.09Å; K413-T416 PolarHBondContact O-OG1 3.32Å
414R90.8Very high89.6Confident61 Ų6156.2 Ų56.223%0.2333%0.333CS..THydrogen-bonded Turntrans-53.5151.3169.272.1165.7-167-120.78.8111.3D321 A395 S398 T416 E444D321-R414 IonicContact OD1-CZ 3.51Å; D321-R414 IonicContact OD1-NE 2.97Å; D321-R414 IonicContact OD1-NH2 3.86Å; D321-R414 PolarHBondContact OD1-NH2 3.2Å; D321-R414 IonicContact OD2-CZ 2.97Å; D321-R414 IonicContact OD2-NE 2.72Å; D321-R414 PolarHBondContact OD2-NE 3.11Å; D321-R414 IonicContact OD2-NH2 3.13Å; D321-R414 PolarHBondContact OD2-NH2 3.42Å; A395-R414 CarbonylContact O-C 3.53Å; A395-R414 WeakPolarHBondContact O-CA 3.32Å; S398-R414 PolarHBondContact OG-N 3.18Å; R414-T416 PolarHBondContact O-N 3.39Å; R414-E444 WeakPolarHBondContact CD-OE2 3.33Å; R414-E444 IonicContact CZ-OE2 2.78Å; R414-E444 IonicContact NE-OE2 2.66Å; R414-E444 IonicContact NH1-OE2 2.72Å; R414-E444 PolarHBondContact NH1-OE2 2.96Å
415N91.7Very high90.4Very high26 Ų2654.8 Ų54.814%0.13932%0.315CS..THydrogen-bonded Turntrans62.315.1-174.6-51.4-53.8000114.7S219 T220 D321 V394 A395S219-N415 VanDerWaalsContact CA-OD1 3.31Å; S219-N415 WeakPolarHBondContact CA-OD1 3.49Å; T220-N415 PolarHBondContact N-OD1 3.4Å; D321-N415 WeakPolarHBondContact CB-ND2 3.45Å; D321-N415 PolarHBondContact OD2-ND2 3.13Å; V394-N415 WeakPolarHBondContact CG1-O 3.47Å; A395-N415 PolarHBondContact O-N 3.16Å
416T94.1Very high91.1Very high40 Ų4053.1 Ų53.125%0.24529%0.287CS..  trans-71.8130.9168.6-57.40000109.2V394 A395 I412 K413 R414 T420V394-T416 CarbonylContact C-O 3.55Å; V394-T416 VanDerWaalsContact CA-O 3.24Å; V394-T416 WeakPolarHBondContact CA-O 2.96Å; V394-T416 WeakPolarHBondContact CB-O 3.49Å; A395-T416 PolarHBondContact N-O 3.48Å; I412-T416 HydrophobicContact CG2-CG2 4.1Å; K413-T416 PolarHBondContact N-OG1 2.93Å; K413-T416 VanDerWaalsContact O-CB 3.29Å; K413-T416 WeakPolarHBondContact O-CB 3.47Å; K413-T416 PolarHBondContact O-N 3.09Å; K413-T416 PolarHBondContact O-OG1 3.32Å; R414-T416 PolarHBondContact O-N 3.39Å; T416-T420 HydrophobicContact CG2-CG2 4.03Å
417T94.7Very high91.4Very high55 Ų5555 Ų5534%0.33729%0.294SS..EExtended strand (participates in β ladder)trans-56.4138.5176.5-47.80000111.7L392 D393 T420L392-T417 HydrophobicContact CB-CG2 4.07Å; L392-T417 HydrophobicContact CD2-CG2 4.39Å; D393-T417 CarbonylContact O-C 3.5Å; D393-T417 VanDerWaalsContact O-CA 3.26Å; D393-T417 WeakPolarHBondContact O-CA 3.25Å; T417-T420 VanDerWaalsContact O-CB 3.26Å; T417-T420 WeakPolarHBondContact O-CB 3.39Å
418I91.7Very high91.5Very high10 Ų1052.3 Ų52.35%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-119149.517859.2168.8000111D393 A395 T420 I478D393-I418 HydrophobicContact CB-CD1 4.39Å; D393-I418 HydrophobicContact CB-CG1 4.16Å; D393-I418 WeakPolarHBondContact O-CG1 3.33Å; D393-I418 PolarHBondContact O-N 3.23Å; A395-I418 HydrophobicContact CB-CG2 4.2Å; I418-T420 HydrophobicContact CG2-CG2 4.26Å; I418-I478 HydrophobicContact CB-CG2 4.28Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.28Å; I418-I478 HydrophobicContact CG2-CG2 3.69Å
419P93.5Very high91.1Very high87 Ų8759.5 Ų59.557%0.56531%0.305SS*.SBendcis-69.7148.70.530-35.4000112.9I478 A480P419-I478 CarbonylContact C-O 3.43Å; P419-I478 WeakPolarHBondContact CA-O 3.44Å; P419-I478 WeakPolarHBondContact CB-O 3.42Å; P419-A480 HydrophobicContact CG-CB 4.49Å
420T95.6Very high90.7Very high27 Ų2759.8 Ų59.817%0.16631%0.308CS..EExtended strand (participates in β ladder)trans-151.1152.2-178.9-165.50000112.3I412 T416 T417 I418 I478I412-T420 HydrophobicContact CD1-CG2 3.95Å; I412-T420 HydrophobicContact CG1-CG2 4.47Å; I412-T420 HydrophobicContact CG2-CG2 4.2Å; T416-T420 HydrophobicContact CG2-CG2 4.03Å; T417-T420 VanDerWaalsContact O-CB 3.26Å; T417-T420 WeakPolarHBondContact O-CB 3.39Å; I418-T420 HydrophobicContact CG2-CG2 4.26Å; T420-I478 HydrophobicContact CG2-CB 4.43Å; T420-I478 HydrophobicContact CG2-CD1 4.26Å; T420-I478 PolarHBondContact N-O 3.2Å; T420-I478 PolarHBondContact O-N 3.31Å
421K95.9Very high90.5Very high128 Ų12862.5 Ų62.556%0.55732%0.317SS*.EExtended strand (participates in β ladder)trans-131.2125.3179.7-171.7178.7-176.7-179.80109.8T475 F476 D477K421-T475 HydrophobicContact CD-CG2 4.13Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; K421-F476 CarbonylContact C-O 3.5Å; K421-F476 VanDerWaalsContact CA-O 3.3Å; K421-F476 WeakPolarHBondContact CA-O 3.5Å; K421-D477 HydrophobicContact CG-CB 4.36Å
422Q95.3Very high90.2Very high86 Ų8666.3 Ų66.340%0.40234%0.337SS..EExtended strand (participates in β ladder)trans-125.2135.2176-68.7-62.9-18.400110I412 T475 F476I412-Q422 HydrophobicContact CD1-CB 4.44Å; I412-Q422 HydrophobicContact CD1-CG 4.42Å; I412-Q422 HydrophobicContact CG1-CB 3.86Å; I412-Q422 HydrophobicContact CG1-CG 3.67Å; Q422-T475 CarbonylContact O-C 3.49Å; Q422-T475 WeakPolarHBondContact O-CA 3.37Å; Q422-F476 PolarHBondContact N-O 3.26Å; Q422-F476 PolarHBondContact O-N 2.83Å
423T94.2Very high89.7Confident64 Ų6466.9 Ų66.939%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-127129.8-177.6-63.10000109.3E473 V474 T475T423-E473 HydrophobicContact CG2-CG 3.16Å; T423-V474 CarbonylContact C-O 3.51Å; T423-V474 WeakPolarHBondContact CA-O 3.45Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.4Å; T423-T475 PolarHBondContact OG1-OG1 3.45Å
424Q90.4Very high89.3Confident81 Ų8164.5 Ų64.538%0.37934%0.34SS..EExtended strand (participates in β ladder)trans-136.8141.1177.8-172.3170.81400110.4L411 F426 V474L411-Q424 HydrophobicContact CD2-CB 3.96Å; L411-Q424 HydrophobicContact CG-CB 4.27Å; Q424-F426 HydrophobicContact CB-CE2 3.76Å; Q424-F426 HydrophobicContact CB-CZ 4.18Å; Q424-F426 HydrophobicContact CG-CE2 3.86Å; Q424-F426 HydrophobicContact CG-CZ 3.92Å; Q424-F426 WeakPolarHBondContact O-CD2 3.33Å; Q424-V474 PolarHBondContact N-O 3.15Å; Q424-V474 PolarHBondContact O-N 2.78Å
425T90.8Very high89Confident58 Ų5862 Ų6236%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-92.4128.9177.7-55.40000110.5Q471 I472T425-Q471 HydrophobicContact CG2-CB 4.06Å; T425-I472 CarbonylContact C-O 3.58Å; T425-I472 WeakPolarHBondContact CA-O 3.44Å
426F87.6Confident88.7Confident41 Ų4161.7 Ų61.718%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-115.3174.6174.9-65.1-88000110L401 T403 T409 L411 Q424 I472 V474L401-F426 HydrophobicContact CD1-CD1 4.2Å; L401-F426 HydrophobicContact CD1-CE1 3.78Å; L401-F426 HydrophobicContact CD1-CE2 4.47Å; L401-F426 HydrophobicContact CD1-CZ 3.95Å; L401-F426 HydrophobicContact CD2-CD2 4.27Å; L401-F426 HydrophobicContact CD2-CE1 4.38Å; L401-F426 HydrophobicContact CD2-CE2 3.63Å; L401-F426 HydrophobicContact CD2-CZ 3.71Å; L401-F426 HydrophobicContact CG-CE1 4.4Å; L401-F426 HydrophobicContact CG-CE2 4.47Å; L401-F426 HydrophobicContact CG-CZ 4.07Å; T403-F426 HydrophobicContact CG2-CD1 4.3Å; T403-F426 HydrophobicContact CG2-CE1 3.9Å; T409-F426 HydrophobicContact CG2-CE1 4.46Å; L411-F426 HydrophobicContact CD1-CE2 4.44Å; L411-F426 HydrophobicContact CD1-CZ 3.98Å; L411-F426 HydrophobicContact CD2-CE2 4.26Å; Q424-F426 HydrophobicContact CB-CE2 3.76Å; Q424-F426 HydrophobicContact CB-CZ 4.18Å; Q424-F426 HydrophobicContact CG-CE2 3.86Å; Q424-F426 HydrophobicContact CG-CZ 3.92Å; Q424-F426 WeakPolarHBondContact O-CD2 3.33Å; F426-I472 PolarHBondContact N-O 3.23Å; F426-I472 PolarHBondContact O-N 3.12Å; F426-V474 HydrophobicContact CD2-CB 3.99Å; F426-V474 HydrophobicContact CD2-CG2 3.71Å; F426-V474 HydrophobicContact CE2-CB 4.12Å; F426-V474 HydrophobicContact CE2-CG2 4.29Å
427T86.5Confident88.3Confident61 Ų6164 Ų6437%0.37434%0.342SS..  trans-146.5171.1-179.6-167.50000111.4G468 P470T427-G468 WeakPolarHBondContact OG1-CA 3.38Å; T427-G468 PolarHBondContact OG1-O 2.98Å; T427-P470 WeakPolarHBondContact CA-O 3.4Å; T427-P470 WeakPolarHBondContact CB-O 3.45Å; T427-P470 PolarHBondContact OG1-O 3.05Å
428T84.5Confident88Confident4 Ų461.9 Ų61.93%0.02533%0.329CS..  trans-73.9144.9179.5580000111.6Q433 I462 G468 P470T428-Q433 HydrophobicContact CG2-CB 3.85Å; T428-Q433 HydrophobicContact CG2-CG 4.3Å; T428-I462 HydrophobicContact CG2-CD1 4.33Å; T428-G468 PolarHBondContact O-N 2.69Å; T428-G468 VanDerWaalsContact O-N 3.17Å; T428-P470 HydrophobicContact CG2-CB 3.99Å; T428-P470 HydrophobicContact CG2-CG 3.7Å; T428-P470 WeakPolarHBondContact OG1-CD 3.28Å
429Y78.9Confident87.9Confident174 Ų17463.3 Ų63.368%0.68234%0.335SS*.SBendtrans-94-15.5-178.669.4-93.3000112.9Q433Y429-Q433 VanDerWaalsContact CD1-OE1 3.24Å; Y429-Q433 VanDerWaalsContact CE1-NE2 3.33Å
430S79.9Confident87.7Confident42 Ų4259.2 Ų59.229%0.29431%0.308SS..SBendtrans-127.7156.1177.261.50000112.2Q433S430-Q433 WeakPolarHBondContact O-CB 3.45Å; S430-Q433 WeakPolarHBondContact OG-CB 3.5Å
431D84.4Confident87.4Confident98 Ų9858.4 Ų58.452%0.52430%0.303SS..THydrogen-bonded Turntrans-66.5142.2174.6-64.4-20.2000110.3Q433 R467D431-Q433 PolarHBondContact O-N 2.77Å; D431-Q433 VanDerWaalsContact O-N 3.13Å; D431-R467 VanDerWaalsContact OD1-CB 3.32Å; D431-R467 WeakPolarHBondContact OD1-CB 3.44Å; D431-R467 WeakPolarHBondContact OD1-CG 3.4Å; D431-R467 PolarHBondContact OD1-N 3.14Å
432N86.9Confident87Confident100 Ų10052.9 Ų52.954%0.53528%0.279SS..THydrogen-bonded Turntrans53.930.5178.7-55-49.6000114.2P434 P464 A465N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.42Å; N432-P464 HydrophobicContact CB-CB 4.23Å; N432-P464 WeakPolarHBondContact OD1-CB 3.43Å; N432-A465 PolarHBondContact N-O 2.87Å; N432-A465 PolarHBondContact OD1-N 2.97Å
433Q83.5Confident86.5Confident14 Ų1449.3 Ų49.37%0.06527%0.265CS..  trans-64.6116179.2-169.5-179.3-21.600110.1T428 Y429 S430 D431 G435T428-Q433 HydrophobicContact CG2-CB 3.85Å; T428-Q433 HydrophobicContact CG2-CG 4.3Å; Y429-Q433 VanDerWaalsContact CD1-OE1 3.24Å; Y429-Q433 VanDerWaalsContact CE1-NE2 3.33Å; S430-Q433 WeakPolarHBondContact O-CB 3.45Å; S430-Q433 WeakPolarHBondContact OG-CB 3.5Å; D431-Q433 PolarHBondContact O-N 2.77Å; D431-Q433 VanDerWaalsContact O-N 3.13Å; Q433-G435 VanDerWaalsContact C-N 3.29Å; Q433-G435 VanDerWaalsContact CG-O 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.32Å; Q433-G435 PolarHBondContact NE2-O 2.79Å; Q433-G435 PolarHBondContact O-N 2.83Å
434P84.7Confident86.1Confident98 Ų9850 Ų5064%0.63626%0.263SS*.  trans-77.4-14.4-171.830.9-36000113.8N432 G461 I462N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.42Å; P434-G461 PolarHBondContact O-N 3.17Å; P434-I462 PolarHBondContact O-N 2.95Å
435G84.9Confident85.7Confident8 Ų852.6 Ų52.68%0.08227%0.27CS..EExtended strand (participates in β ladder)trans-166158.2179.600000112.6Q433 L459Q433-G435 VanDerWaalsContact C-N 3.29Å; Q433-G435 VanDerWaalsContact CG-O 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.32Å; Q433-G435 PolarHBondContact NE2-O 2.79Å; Q433-G435 PolarHBondContact O-N 2.83Å; G435-L459 CarbonylContact C-O 3.44Å; G435-L459 WeakPolarHBondContact CA-O 3.34Å
436V84.8Confident85.3Confident20 Ų2053.5 Ų53.512%0.12128%0.283CS..EExtended strand (participates in β ladder)trans-111.7125.5175.3-117.90000109.6E458 L459 I462 I472V436-E458 WeakPolarHBondContact O-CA 3.17Å; V436-L459 HydrophobicContact CG2-CB 4.28Å; V436-L459 HydrophobicContact CG2-CD2 4.44Å; V436-L459 PolarHBondContact N-O 3.07Å; V436-L459 PolarHBondContact O-N 2.86Å; V436-I462 HydrophobicContact CG2-CD1 3.33Å; V436-I472 HydrophobicContact CG2-CD1 4.01Å; V436-I472 HydrophobicContact CG2-CG1 3.9Å; V436-I472 HydrophobicContact CG2-CG2 4.26Å
437L86.3Confident84.9Confident87 Ų8754.5 Ų54.546%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-83.5111.4168-178.867.2000108.8Q439 K456 E458L437-Q439 HydrophobicContact CD2-CG 4.11Å; L437-Q439 HydrophobicContact CG-CG 4.02Å; L437-K456 HydrophobicContact CD1-CB 4.28Å; L437-K456 HydrophobicContact CD1-CD 4.32Å; L437-K456 HydrophobicContact CD1-CG 4.46Å; L437-E458 HydrophobicContact CD1-CB 4.49Å
438I87.5Confident84.9Confident12 Ų1251.9 Ų51.96%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-93.6119.8174.9-62.7172.3000107.4V440 K456 F457 V474 A488I438-V440 HydrophobicContact CG2-CG2 4.08Å; I438-K456 CarbonylContact O-C 3.56Å; I438-K456 WeakPolarHBondContact O-CA 3.29Å; I438-K456 WeakPolarHBondContact O-CB 3.44Å; I438-F457 HydrophobicContact CB-CD1 4.09Å; I438-F457 HydrophobicContact CB-CE1 3.72Å; I438-F457 HydrophobicContact CB-CE2 4.35Å; I438-F457 HydrophobicContact CB-CZ 3.87Å; I438-F457 HydrophobicContact CD1-CE1 4.38Å; I438-F457 HydrophobicContact CD1-CE2 3.78Å; I438-F457 HydrophobicContact CD1-CZ 3.63Å; I438-F457 HydrophobicContact CG1-CZ 4.34Å; I438-F457 HydrophobicContact CG2-CD1 4.24Å; I438-F457 HydrophobicContact CG2-CE1 3.51Å; I438-F457 HydrophobicContact CG2-CZ 3.81Å; I438-F457 PolarHBondContact N-O 2.94Å; I438-F457 PolarHBondContact O-N 3.3Å; I438-V474 HydrophobicContact CD1-CG2 3.76Å; I438-A488 HydrophobicContact CD1-CB 3.26Å
439Q89.3Confident84.8Confident40 Ų4059.5 Ų59.519%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-113.5122.9175.9-60-17597.500108.3L401 E402 L437 F441 L453 K456L401-Q439 WeakPolarHBondContact CA-O 3.44Å; L401-Q439 VanDerWaalsContact CB-O 3.3Å; L401-Q439 WeakPolarHBondContact CB-O 3.39Å; E402-Q439 HydrophobicContact CB-CB 4.28Å; E402-Q439 VanDerWaalsContact CD-NE2 3.33Å; E402-Q439 PolarHBondContact N-O 3.2Å; E402-Q439 VanDerWaalsContact N-O 3.11Å; E402-Q439 PolarHBondContact OE1-NE2 3.13Å; E402-Q439 PolarHBondContact OE2-NE2 3.42Å; L437-Q439 HydrophobicContact CD2-CG 4.11Å; L437-Q439 HydrophobicContact CG-CG 4.02Å; Q439-F441 HydrophobicContact CB-CD2 4.4Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.07Å; Q439-F441 WeakPolarHBondContact O-CD2 3.45Å; Q439-L453 HydrophobicContact CB-CD1 4.32Å; Q439-K456 HydrophobicContact CB-CB 4.42Å; Q439-K456 HydrophobicContact CG-CB 3.95Å
440V91Very high84.9Confident0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-105.3131.2-172.81800000109.3G400 I438 L454 G455 F457 F476 L484 V486 I501G400-V440 WeakPolarHBondContact O-CA 3.49Å; I438-V440 HydrophobicContact CG2-CG2 4.08Å; V440-L454 HydrophobicContact CG1-CB 4.38Å; V440-L454 HydrophobicContact CG1-CD1 4.33Å; V440-L454 PolarHBondContact O-N 2.87Å; V440-G455 PolarHBondContact N-O 3.07Å; V440-G455 PolarHBondContact O-N 3.37Å; V440-F457 HydrophobicContact CG2-CE1 4.33Å; V440-F476 HydrophobicContact CG1-CE1 3.79Å; V440-F476 HydrophobicContact CG1-CZ 3.99Å; V440-F476 HydrophobicContact CG2-CZ 4.15Å; V440-L484 HydrophobicContact CG1-CD2 3.7Å; V440-V486 HydrophobicContact CG1-CG2 4.22Å; V440-V486 HydrophobicContact CG2-CB 4.39Å; V440-V486 HydrophobicContact CG2-CG1 4.15Å; V440-V486 HydrophobicContact CG2-CG2 4.11Å; V440-I501 HydrophobicContact CB-CD1 3.72Å; V440-I501 HydrophobicContact CG1-CD1 3.99Å; V440-I501 HydrophobicContact CG1-CG1 4.31Å; V440-I501 HydrophobicContact CG2-CD1 3.72Å
441F88.6Confident85.1Confident11 Ų1152.7 Ų52.75%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-128159.4-175.6-63.9-97.7000111.4L399 G400 E402 M408 Q439 T448 N451 N452 L453L399-F441 WeakPolarHBondContact CA-O 3.39Å; G400-F441 PolarHBondContact N-O 3.12Å; G400-F441 PolarHBondContact O-N 2.88Å; E402-F441 HydrophobicContact CB-CD2 4.42Å; E402-F441 HydrophobicContact CB-CE2 3.76Å; M408-F441 HydrophobicContact CE-CB 3.86Å; M408-F441 WeakPolarHBondContact CE-O 3.4Å; M408-F441 HydrophobicContact SD-CB 3.76Å; Q439-F441 HydrophobicContact CB-CD2 4.4Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.07Å; Q439-F441 WeakPolarHBondContact O-CD2 3.45Å; F441-T448 HydrophobicContact CD1-CG2 4.49Å; F441-T448 WeakPolarHBondContact CD1-O 3.21Å; F441-T448 HydrophobicContact CD2-CG2 3.8Å; F441-T448 HydrophobicContact CE1-CG2 4.49Å; F441-T448 WeakPolarHBondContact CE1-O 3.5Å; F441-T448 HydrophobicContact CE2-CG2 3.82Å; F441-T448 HydrophobicContact CG-CG2 4.17Å; F441-T448 HydrophobicContact CZ-CG2 4.17Å; F441-N451 HydrophobicContact CB-CB 4.33Å; F441-N451 HydrophobicContact CD1-CB 4.4Å; F441-N452 CarbonylContact C-O 3.53Å; F441-N452 WeakPolarHBondContact CA-O 3.35Å; F441-L453 HydrophobicContact CD1-CB 4.08Å; F441-L453 HydrophobicContact CD1-CD1 4.15Å; F441-L453 HydrophobicContact CD2-CD1 4.45Å; F441-L453 HydrophobicContact CE1-CB 3.82Å; F441-L453 HydrophobicContact CE1-CD1 3.64Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.96Å; F441-L453 HydrophobicContact CZ-CD1 3.53Å
442E87.6Confident85Confident12 Ų1249.6 Ų49.66%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-128.7127.1173.7-179.5-166.3-127.500109.3N149 L397 S398 L399 N451 N452 L454N149-E442 WeakPolarHBondContact CA-OE1 3.45Å; N149-E442 WeakPolarHBondContact CB-OE1 3.28Å; N149-E442 WeakPolarHBondContact CB-OE2 3.31Å; L397-E442 HydrophobicContact CB-CG 3.43Å; L397-E442 VanDerWaalsContact CB-CG 3.43Å; L397-E442 VanDerWaalsContact CD1-CD 3.41Å; L397-E442 HydrophobicContact CD1-CG 3.62Å; L397-E442 HydrophobicContact CG-CG 4.15Å; S398-E442 WeakPolarHBondContact O-CA 3.44Å; L399-E442 HydrophobicContact CD2-CB 3.72Å; L399-E442 HydrophobicContact CD2-CG 3.81Å; E442-N451 WeakPolarHBondContact O-CB 3.48Å; E442-N452 HydrophobicContact CB-CB 4.42Å; E442-N452 PolarHBondContact N-O 2.88Å; E442-N452 WeakPolarHBondContact O-CB 3.36Å; E442-N452 PolarHBondContact O-N 3.35Å; E442-N452 PolarHBondContact OE2-ND2 3.23Å; E442-L454 HydrophobicContact CB-CD1 3.83Å; E442-L454 HydrophobicContact CB-CD2 3.84Å; E442-L454 HydrophobicContact CB-CG 3.79Å
443G85.5Confident84.9Confident10 Ų1048 Ų4810%0.10325%0.253CS..SBendtrans145.7175.8175.700000114.2S398 N451S398-G443 PolarHBondContact O-N 3.01Å; G443-N451 VanDerWaalsContact C-OD1 3.28Å; G443-N451 WeakPolarHBondContact CA-OD1 3.25Å
444E84.8Confident84.9Confident78 Ų7847.3 Ų47.336%0.36425%0.25SS..SBendtrans-107.9-2.1-168.7-55.3-63.3119.600113.2L397 S398 R414 N451L397-E444 HydrophobicContact CD2-CG 4.37Å; S398-E444 WeakPolarHBondContact CB-OE1 3.45Å; S398-E444 PolarHBondContact N-OE1 3.49Å; S398-E444 PolarHBondContact OG-OE1 3.36Å; S398-E444 PolarHBondContact OG-OE2 3.37Å; R414-E444 WeakPolarHBondContact CD-OE2 3.33Å; R414-E444 IonicContact CZ-OE2 2.78Å; R414-E444 IonicContact NE-OE2 2.66Å; R414-E444 IonicContact NH1-OE2 2.72Å; R414-E444 PolarHBondContact NH1-OE2 2.96Å; E444-N451 PolarHBondContact N-OD1 3.17Å
445R82.3Confident84.9Confident136 Ų13643 Ų4351%0.51322%0.223SC..  trans-82.1149.4-178.2-60.7-170.662.6-150.8-8.1110.4L447 D450 N451R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.06Å; R445-D450 HydrophobicContact CB-CB 3.86Å; R445-D450 WeakPolarHBondContact CD-O 3.39Å; R445-D450 HydrophobicContact CG-CB 4.41Å; R445-D450 IonicContact CZ-OD1 3.03Å; R445-D450 IonicContact CZ-OD2 3.85Å; R445-D450 IonicContact NH1-OD1 2.53Å; R445-D450 PolarHBondContact NH1-OD1 3.14Å; R445-D450 IonicContact NH1-OD2 3.82Å; R445-D450 IonicContact NH2-OD1 3.69Å; R445-D450 PolarHBondContact NH2-OD1 2.83Å; R445-D450 IonicContact NH2-OD2 2.87Å; R445-D450 PolarHBondContact NH2-OD2 2.75Å; R445-N451 WeakPolarHBondContact CB-OD1 3.15Å; R445-N451 PolarHBondContact N-OD1 3.1Å; R445-N451 PolarHBondContact O-ND2 3.41Å
446A81.9Confident85Confident77 Ų7747.7 Ų47.764%0.63624%0.241SC*.SBendtrans-69.4-27.3-174.800000114M408M408-A446 PolarHBondContact N-O 2.87Å
447L79.5Confident85Confident63 Ų6347.5 Ų47.533%0.3324%0.239SC..BIsolated β-bridgetrans-105.6142.8179.8-61.1175.9000110.2G406 V407 R445 K449 D450 N451G406-L447 WeakPolarHBondContact O-CA 3.33Å; V407-L447 HydrophobicContact CG2-CD2 4.43Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.06Å; L447-K449 HydrophobicContact CB-CG 4.18Å; L447-K449 PolarHBondContact O-N 3.19Å; L447-D450 WeakPolarHBondContact O-CB 3.3Å; L447-D450 PolarHBondContact O-N 2.92Å; L447-N451 PolarHBondContact O-ND2 2.89Å
448T85.6Confident84.9Confident6 Ų648.6 Ų48.64%0.03724%0.242CC..G310 helixtrans-69.1-34.1-176.653.40000113.5E402 G406 M408 F441 D450 N451E402-T448 HydrophobicContact CB-CG2 3.76Å; E402-T448 HydrophobicContact CG-CG2 3.85Å; E402-T448 WeakPolarHBondContact OE1-CB 3.4Å; E402-T448 PolarHBondContact OE1-OG1 3.01Å; G406-T448 PolarHBondContact O-N 3.02Å; G406-T448 PolarHBondContact O-OG1 3.45Å; M408-T448 HydrophobicContact CB-CG2 4.09Å; M408-T448 HydrophobicContact SD-CG2 4.35Å; F441-T448 HydrophobicContact CD1-CG2 4.49Å; F441-T448 WeakPolarHBondContact CD1-O 3.21Å; F441-T448 HydrophobicContact CD2-CG2 3.8Å; F441-T448 HydrophobicContact CE1-CG2 4.49Å; F441-T448 WeakPolarHBondContact CE1-O 3.5Å; F441-T448 HydrophobicContact CE2-CG2 3.82Å; F441-T448 HydrophobicContact CG-CG2 4.17Å; F441-T448 HydrophobicContact CZ-CG2 4.17Å; T448-D450 PolarHBondContact O-N 3.05Å; T448-N451 PolarHBondContact O-N 2.71Å
449K84Confident84.9Confident164 Ų16448.2 Ų48.271%0.71324%0.24SC*.G310 helixtrans-55.7-18.5175.473.2-179.3-174.7179.30114.6L447L447-K449 HydrophobicContact CB-CG 4.18Å; L447-K449 PolarHBondContact O-N 3.19Å
450D80.5Confident84.7Confident50 Ų5049.7 Ų49.727%0.26726%0.255SS..G310 helixtrans-106.4-4.8-172-78.2-42.5000111.9R445 L447 T448R445-D450 HydrophobicContact CB-CB 3.86Å; R445-D450 WeakPolarHBondContact CD-O 3.39Å; R445-D450 HydrophobicContact CG-CB 4.41Å; R445-D450 IonicContact CZ-OD1 3.03Å; R445-D450 IonicContact CZ-OD2 3.85Å; R445-D450 IonicContact NH1-OD1 2.53Å; R445-D450 PolarHBondContact NH1-OD1 3.14Å; R445-D450 IonicContact NH1-OD2 3.82Å; R445-D450 IonicContact NH2-OD1 3.69Å; R445-D450 PolarHBondContact NH2-OD1 2.83Å; R445-D450 IonicContact NH2-OD2 2.87Å; R445-D450 PolarHBondContact NH2-OD2 2.75Å; L447-D450 WeakPolarHBondContact O-CB 3.3Å; L447-D450 PolarHBondContact O-N 2.92Å; T448-D450 PolarHBondContact O-N 3.05Å
451N83.4Confident84.4Confident23 Ų2351.2 Ų51.212%0.12327%0.271CS..SBendtrans-108.8172.9176.9-69.6-44.6000110.5F441 E442 G443 E444 R445 L447 T448F441-N451 HydrophobicContact CB-CB 4.33Å; F441-N451 HydrophobicContact CD1-CB 4.4Å; E442-N451 WeakPolarHBondContact O-CB 3.48Å; G443-N451 VanDerWaalsContact C-OD1 3.28Å; G443-N451 WeakPolarHBondContact CA-OD1 3.25Å; E444-N451 PolarHBondContact N-OD1 3.17Å; R445-N451 WeakPolarHBondContact CB-OD1 3.15Å; R445-N451 PolarHBondContact N-OD1 3.1Å; R445-N451 PolarHBondContact O-ND2 3.41Å; L447-N451 PolarHBondContact O-ND2 2.89Å; T448-N451 PolarHBondContact O-N 2.71Å
452N81.5Confident84.1Confident33 Ų3351.2 Ų51.218%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-82.3122.2177.9-169.630.8000110.2R75 F441 E442 L454R75-N452 PolarHBondContact NH1-OD1 3.42Å; F441-N452 CarbonylContact C-O 3.53Å; F441-N452 WeakPolarHBondContact CA-O 3.35Å; E442-N452 HydrophobicContact CB-CB 4.42Å; E442-N452 PolarHBondContact N-O 2.88Å; E442-N452 WeakPolarHBondContact O-CB 3.36Å; E442-N452 PolarHBondContact O-N 3.35Å; E442-N452 PolarHBondContact OE2-ND2 3.23Å; N452-L454 PolarHBondContact O-N 3.07Å
453L85.9Confident84Confident65 Ų6553.6 Ų53.634%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-75.8118.7171.7177.369.7000109Q439 F441Q439-L453 HydrophobicContact CB-CD1 4.32Å; F441-L453 HydrophobicContact CD1-CB 4.08Å; F441-L453 HydrophobicContact CD1-CD1 4.15Å; F441-L453 HydrophobicContact CD2-CD1 4.45Å; F441-L453 HydrophobicContact CE1-CB 3.82Å; F441-L453 HydrophobicContact CE1-CD1 3.64Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.96Å; F441-L453 HydrophobicContact CZ-CD1 3.53Å
454L83.9Confident84.2Confident0 Ų058.1 Ų58.10%032%0.315CS..EExtended strand (participates in β ladder)trans-89.9-34.1177.9-62.1-173.6000112.9D150 L399 V440 E442 N452 L484 I501 N503D150-L454 HydrophobicContact CB-CD1 4.34Å; D150-L454 HydrophobicContact CB-CD2 4.16Å; L399-L454 HydrophobicContact CD2-CD1 3.52Å; V440-L454 HydrophobicContact CG1-CB 4.38Å; V440-L454 HydrophobicContact CG1-CD1 4.33Å; V440-L454 PolarHBondContact O-N 2.87Å; E442-L454 HydrophobicContact CB-CD1 3.83Å; E442-L454 HydrophobicContact CB-CD2 3.84Å; E442-L454 HydrophobicContact CB-CG 3.79Å; N452-L454 PolarHBondContact O-N 3.07Å; L454-L484 HydrophobicContact CD1-CD2 3.97Å; L454-I501 HydrophobicContact CB-CG2 3.64Å; L454-I501 HydrophobicContact CD1-CG2 4.4Å; L454-N503 WeakPolarHBondContact O-CB 3.34Å; L454-N503 PolarHBondContact O-ND2 3.18Å; L454-N503 PolarHBondContact O-OD1 2.98Å
455G84Confident84.3Confident7 Ų755.4 Ų55.47%0.07231%0.306CS..EExtended strand (participates in β ladder)trans175.5169.9-177.800000112.9V440V440-G455 PolarHBondContact N-O 3.07Å; V440-G455 PolarHBondContact O-N 3.37Å
456K87Confident84.6Confident107 Ų10752.9 Ų52.947%0.46531%0.307SS..EExtended strand (participates in β ladder)trans-146.9148.2174.567.1-177.5-175.1172.50111.4L437 I438 Q439L437-K456 HydrophobicContact CD1-CB 4.28Å; L437-K456 HydrophobicContact CD1-CD 4.32Å; L437-K456 HydrophobicContact CD1-CG 4.46Å; I438-K456 CarbonylContact O-C 3.56Å; I438-K456 WeakPolarHBondContact O-CA 3.29Å; I438-K456 WeakPolarHBondContact O-CB 3.44Å; Q439-K456 HydrophobicContact CB-CB 4.42Å; Q439-K456 HydrophobicContact CG-CB 3.95Å
457F84.3Confident84.8Confident17 Ų1757.6 Ų57.68%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-149.1152.4175.363.1-73.7000110.1I438 V440 V486 A488 N497 I499I438-F457 HydrophobicContact CB-CD1 4.09Å; I438-F457 HydrophobicContact CB-CE1 3.72Å; I438-F457 HydrophobicContact CB-CE2 4.35Å; I438-F457 HydrophobicContact CB-CZ 3.87Å; I438-F457 HydrophobicContact CD1-CE1 4.38Å; I438-F457 HydrophobicContact CD1-CE2 3.78Å; I438-F457 HydrophobicContact CD1-CZ 3.63Å; I438-F457 HydrophobicContact CG1-CZ 4.34Å; I438-F457 HydrophobicContact CG2-CD1 4.24Å; I438-F457 HydrophobicContact CG2-CE1 3.51Å; I438-F457 HydrophobicContact CG2-CZ 3.81Å; I438-F457 PolarHBondContact N-O 2.94Å; I438-F457 PolarHBondContact O-N 3.3Å; V440-F457 HydrophobicContact CG2-CE1 4.33Å; F457-V486 HydrophobicContact CE1-CB 4.21Å; F457-V486 HydrophobicContact CE1-CG1 3.78Å; F457-V486 HydrophobicContact CZ-CB 4.48Å; F457-V486 HydrophobicContact CZ-CG1 3.81Å; F457-A488 HydrophobicContact CE2-CB 3.71Å; F457-A488 HydrophobicContact CZ-CB 4.03Å; F457-N497 HydrophobicContact CD2-CB 4.5Å; F457-I499 HydrophobicContact CB-CB 4.07Å; F457-I499 HydrophobicContact CB-CD1 4.11Å; F457-I499 HydrophobicContact CB-CG2 4.38Å; F457-I499 HydrophobicContact CD1-CB 3.78Å; F457-I499 HydrophobicContact CD1-CD1 4.45Å; F457-I499 HydrophobicContact CD1-CG2 3.15Å; F457-I499 HydrophobicContact CE1-CB 4.3Å; F457-I499 HydrophobicContact CE1-CG2 3.35Å; F457-I499 HydrophobicContact CG-CB 3.9Å; F457-I499 HydrophobicContact CG-CG2 3.8Å; F457-I499 HydrophobicContact CZ-CG2 4.14Å
458E85.7Confident84.9Confident109 Ų10956.4 Ų56.451%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-105.1124.1-179.9-169.2175.5179.400110.2V436 L437 N497V436-E458 WeakPolarHBondContact O-CA 3.17Å; L437-E458 HydrophobicContact CD1-CB 4.49Å; E458-N497 PolarHBondContact O-ND2 3.22Å
459L86Confident85.1Confident4 Ų459.9 Ų59.92%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-89.9101165.3178.665.5000107.8G435 V436 I472 A488 D490 N497G435-L459 CarbonylContact C-O 3.44Å; G435-L459 WeakPolarHBondContact CA-O 3.34Å; V436-L459 HydrophobicContact CG2-CB 4.28Å; V436-L459 HydrophobicContact CG2-CD2 4.44Å; V436-L459 PolarHBondContact N-O 3.07Å; V436-L459 PolarHBondContact O-N 2.86Å; L459-I472 HydrophobicContact CD2-CD1 3.89Å; L459-I472 HydrophobicContact CD2-CG2 3.65Å; L459-A488 HydrophobicContact CD2-CB 4.07Å; L459-D490 HydrophobicContact CD2-CB 4.33Å; L459-N497 HydrophobicContact CD1-CB 3.72Å
460S86Confident85.2Confident71 Ų7152.8 Ų52.850%0.49730%0.304SS..EExtended strand (participates in β ladder)trans-98.9164.4-176.662.60000112.7
461G83.5Confident85.6Confident33 Ų3354.7 Ų54.734%0.3431%0.311SS..  trans81.831.2174.100000113.9P434 K495P434-G461 PolarHBondContact O-N 3.17Å; G461-K495 PolarHBondContact O-NZ 2.99Å; G461-K495 VanDerWaalsContact O-NZ 3.12Å
462I83.5Confident85.8Confident10 Ų1053.7 Ų53.75%0.05131%0.306CS..PPolyproline II helixtrans-73.8128.1170.5-62.3174.8000108.2T428 P434 V436 P470 I472T428-I462 HydrophobicContact CG2-CD1 4.33Å; P434-I462 PolarHBondContact O-N 2.95Å; V436-I462 HydrophobicContact CG2-CD1 3.33Å; I462-P470 HydrophobicContact CG2-CB 3.85Å; I462-P470 HydrophobicContact CG2-CG 3.74Å; I462-I472 HydrophobicContact CD1-CD1 3.63Å; I462-I472 HydrophobicContact CD1-CG1 4.5Å; I462-I472 HydrophobicContact CG1-CD1 4.28Å
463P85.9Confident86.4Confident63 Ų6354.5 Ų54.541%0.40931%0.308SS..PPolyproline II helixtrans-60.6146.6177.8-21.932.7000111.9A465 T493P463-A465 PolarHBondContact O-N 2.73Å; P463-A465 VanDerWaalsContact O-N 3.09Å; P463-T493 HydrophobicContact CG-CG2 3.48Å; P463-T493 VanDerWaalsContact CG-CG2 3.48Å
464P88.7Confident86.6Confident105 Ų10551.5 Ų51.568%0.68229%0.293SS*.SBendtrans-55.7117.7173.5-23.533.3000111.1N432N432-P464 HydrophobicContact CB-CB 4.23Å; N432-P464 WeakPolarHBondContact OD1-CB 3.43Å
465A88Confident87.1Confident21 Ų2152 Ų5217%0.17430%0.296CS..  trans-147.8156.6178.400000110.2N432 P463 T469 P470N432-A465 PolarHBondContact N-O 2.87Å; N432-A465 PolarHBondContact OD1-N 2.97Å; P463-A465 PolarHBondContact O-N 2.73Å; P463-A465 VanDerWaalsContact O-N 3.09Å; A465-T469 HydrophobicContact CB-CG2 4.32Å; A465-P470 HydrophobicContact CB-CG 4.17Å
466P88.3Confident87.6Confident82 Ų8251.7 Ų51.753%0.53229%0.293SS..  trans-56.8148.4171.2-21.632.7000111.4G468 T469P466-G468 PolarHBondContact O-N 3.45Å; P466-T469 VanDerWaalsContact O-CB 3.23Å; P466-T469 WeakPolarHBondContact O-CB 3.07Å; P466-T469 PolarHBondContact O-N 3.15Å; P466-T469 VanDerWaalsContact O-N 3.11Å; P466-T469 PolarHBondContact O-OG1 3.13Å
467R84.7Confident87.9Confident176 Ų17649.7 Ų49.766%0.66429%0.287SS*.THydrogen-bonded Turntrans-50.5142.2175.473.2-178.6-172.8165.50.6110.5D431 T469D431-R467 VanDerWaalsContact OD1-CB 3.32Å; D431-R467 WeakPolarHBondContact OD1-CB 3.44Å; D431-R467 WeakPolarHBondContact OD1-CG 3.4Å; D431-R467 PolarHBondContact OD1-N 3.14Å; R467-T469 VanDerWaalsContact C-N 3.26Å; R467-T469 PolarHBondContact O-N 3.31Å
468G82.9Confident88.2Confident39 Ų3949 Ų4940%0.40228%0.284SS..THydrogen-bonded Turntrans82.5-7.8-178.300000115.5T427 T428 P466T427-G468 WeakPolarHBondContact OG1-CA 3.38Å; T427-G468 PolarHBondContact OG1-O 2.98Å; T428-G468 PolarHBondContact O-N 2.69Å; T428-G468 VanDerWaalsContact O-N 3.17Å; P466-G468 PolarHBondContact O-N 3.45Å
469T88.9Confident88.4Confident79 Ų7945.8 Ų45.849%0.48527%0.27SS..  trans-83.3-50.1-178.5-45.90000112.9A465 P466 R467 Q471A465-T469 HydrophobicContact CB-CG2 4.32Å; P466-T469 VanDerWaalsContact O-CB 3.23Å; P466-T469 WeakPolarHBondContact O-CB 3.07Å; P466-T469 PolarHBondContact O-N 3.15Å; P466-T469 VanDerWaalsContact O-N 3.11Å; P466-T469 PolarHBondContact O-OG1 3.13Å; R467-T469 VanDerWaalsContact C-N 3.26Å; R467-T469 PolarHBondContact O-N 3.31Å; T469-Q471 PolarHBondContact O-N 2.96Å
470P86.2Confident88.5Confident14 Ų1447.1 Ų47.19%0.09128%0.282CS..SBendtrans-60.6137.5179.7-23.636.7000111.5T427 T428 I462 A465 I472T427-P470 WeakPolarHBondContact CA-O 3.4Å; T427-P470 WeakPolarHBondContact CB-O 3.45Å; T427-P470 PolarHBondContact OG1-O 3.05Å; T428-P470 HydrophobicContact CG2-CB 3.99Å; T428-P470 HydrophobicContact CG2-CG 3.7Å; T428-P470 WeakPolarHBondContact OG1-CD 3.28Å; I462-P470 HydrophobicContact CG2-CB 3.85Å; I462-P470 HydrophobicContact CG2-CG 3.74Å; A465-P470 HydrophobicContact CB-CG 4.17Å; P470-I472 HydrophobicContact CB-CD1 4.38Å
471Q89.6Confident88.4Confident90 Ų9044.6 Ų44.642%0.42126%0.263SS..  trans-109.9101.3-178.7-64.1-66.8-52.100108.8T425 T469 K491T425-Q471 HydrophobicContact CG2-CB 4.06Å; T469-Q471 PolarHBondContact O-N 2.96Å; Q471-K491 HydrophobicContact CB-CB 4.15Å; Q471-K491 PolarHBondContact O-N 2.84Å
472I88Confident88.4Confident2 Ų243.8 Ų43.81%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-101.5101.8-175.2-49.5-64000108.7T425 F426 V436 L459 I462 P470 V474 A488 V489 D490T425-I472 CarbonylContact C-O 3.58Å; T425-I472 WeakPolarHBondContact CA-O 3.44Å; F426-I472 PolarHBondContact N-O 3.23Å; F426-I472 PolarHBondContact O-N 3.12Å; V436-I472 HydrophobicContact CG2-CD1 4.01Å; V436-I472 HydrophobicContact CG2-CG1 3.9Å; V436-I472 HydrophobicContact CG2-CG2 4.26Å; L459-I472 HydrophobicContact CD2-CD1 3.89Å; L459-I472 HydrophobicContact CD2-CG2 3.65Å; I462-I472 HydrophobicContact CD1-CD1 3.63Å; I462-I472 HydrophobicContact CD1-CG1 4.5Å; I462-I472 HydrophobicContact CG1-CD1 4.28Å; P470-I472 HydrophobicContact CB-CD1 4.38Å; I472-V474 HydrophobicContact CG2-CG2 4.13Å; I472-V474 PolarHBondContact O-N 3.33Å; I472-A488 HydrophobicContact CG2-CB 4.38Å; I472-V489 CarbonylContact C-O 3.57Å; I472-V489 WeakPolarHBondContact CA-O 3.37Å; I472-D490 HydrophobicContact CD1-CB 3.95Å
473E92.6Very high88.3Confident51 Ų5143.6 Ų43.624%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-82.5112177.6-172.717285.500110T423 A488 V489 K491T423-E473 HydrophobicContact CG2-CG 3.16Å; E473-A488 CarbonylContact O-C 3.5Å; E473-A488 VanDerWaalsContact O-CA 3.29Å; E473-A488 WeakPolarHBondContact O-CA 3.36Å; E473-V489 PolarHBondContact N-O 3.27Å; E473-V489 PolarHBondContact O-N 2.68Å; E473-K491 HydrophobicContact CB-CG 4.38Å; E473-K491 VanDerWaalsContact CD-CE 3.46Å; E473-K491 WeakPolarHBondContact OE2-CE 3.03Å; E473-K491 IonicContact OE2-NZ 2.65Å; E473-K491 PolarHBondContact OE2-NZ 3.37Å
474V91.8Very high88.3Confident2 Ų240.6 Ų40.61%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-104130.3177.5-173.30000109L401 T423 Q424 F426 I438 I472 F476 V486 S487 A488L401-V474 HydrophobicContact CD2-CB 4.41Å; L401-V474 HydrophobicContact CD2-CG1 4.05Å; T423-V474 CarbonylContact C-O 3.51Å; T423-V474 WeakPolarHBondContact CA-O 3.45Å; Q424-V474 PolarHBondContact N-O 3.15Å; Q424-V474 PolarHBondContact O-N 2.78Å; F426-V474 HydrophobicContact CD2-CB 3.99Å; F426-V474 HydrophobicContact CD2-CG2 3.71Å; F426-V474 HydrophobicContact CE2-CB 4.12Å; F426-V474 HydrophobicContact CE2-CG2 4.29Å; I438-V474 HydrophobicContact CD1-CG2 3.76Å; I472-V474 HydrophobicContact CG2-CG2 4.13Å; I472-V474 PolarHBondContact O-N 3.33Å; V474-F476 HydrophobicContact CG1-CD2 4.02Å; V474-F476 HydrophobicContact CG1-CE2 3.66Å; V474-V486 HydrophobicContact CG1-CG1 3.88Å; V474-S487 CarbonylContact C-O 3.59Å; V474-S487 VanDerWaalsContact CA-O 3.31Å; V474-S487 WeakPolarHBondContact CA-O 3.2Å; V474-A488 HydrophobicContact CG2-CB 4.15Å
475T94.2Very high88.3Confident11 Ų1137.8 Ų37.87%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-120.1126.9-178-66.90000109.7K421 Q422 T423 V486 S487K421-T475 HydrophobicContact CD-CG2 4.13Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; Q422-T475 CarbonylContact O-C 3.49Å; Q422-T475 WeakPolarHBondContact O-CA 3.37Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.4Å; T423-T475 PolarHBondContact OG1-OG1 3.45Å; T475-V486 CarbonylContact O-C 3.55Å; T475-V486 VanDerWaalsContact O-CA 3.3Å; T475-V486 WeakPolarHBondContact O-CA 3.45Å; T475-S487 WeakPolarHBondContact CB-OG 3.44Å; T475-S487 PolarHBondContact N-O 3.2Å; T475-S487 PolarHBondContact O-N 2.96Å
476F94.3Very high88.3Confident0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-105.5123.9171.8-78.8-129.4000107.5L399 L401 L411 I412 K421 Q422 V440 V474 L484 V486L399-F476 HydrophobicContact CB-CD1 4.12Å; L399-F476 HydrophobicContact CB-CE1 4.24Å; L401-F476 HydrophobicContact CB-CZ 4.3Å; L401-F476 HydrophobicContact CD2-CE2 3.91Å; L401-F476 HydrophobicContact CD2-CZ 4.19Å; L411-F476 HydrophobicContact CB-CD2 4.4Å; L411-F476 HydrophobicContact CB-CG 4.3Å; L411-F476 HydrophobicContact CD1-CE2 4.47Å; L411-F476 HydrophobicContact CD2-CD2 3.48Å; L411-F476 VanDerWaalsContact CD2-CD2 3.48Å; L411-F476 HydrophobicContact CD2-CE2 3.69Å; L411-F476 HydrophobicContact CD2-CG 4.16Å; L411-F476 HydrophobicContact CG-CD2 4.45Å; I412-F476 HydrophobicContact CD1-CB 3.67Å; I412-F476 HydrophobicContact CG1-CB 4.27Å; K421-F476 CarbonylContact C-O 3.5Å; K421-F476 VanDerWaalsContact CA-O 3.3Å; K421-F476 WeakPolarHBondContact CA-O 3.5Å; Q422-F476 PolarHBondContact N-O 3.26Å; Q422-F476 PolarHBondContact O-N 2.83Å; V440-F476 HydrophobicContact CG1-CE1 3.79Å; V440-F476 HydrophobicContact CG1-CZ 3.99Å; V440-F476 HydrophobicContact CG2-CZ 4.15Å; V474-F476 HydrophobicContact CG1-CD2 4.02Å; V474-F476 HydrophobicContact CG1-CE2 3.66Å; F476-L484 HydrophobicContact CB-CD1 4.07Å; F476-L484 HydrophobicContact CD1-CD1 3.82Å; F476-L484 HydrophobicContact CD1-CD2 4.1Å; F476-L484 HydrophobicContact CE1-CD2 4.2Å; F476-L484 HydrophobicContact CG-CD1 4.24Å; F476-V486 HydrophobicContact CD1-CG2 4.12Å; F476-V486 HydrophobicContact CD2-CG1 3.93Å; F476-V486 HydrophobicContact CD2-CG2 4.17Å; F476-V486 HydrophobicContact CE1-CG2 4.16Å; F476-V486 HydrophobicContact CE2-CG1 3.7Å; F476-V486 HydrophobicContact CE2-CG2 4.2Å; F476-V486 HydrophobicContact CG-CG2 4.13Å; F476-V486 HydrophobicContact CZ-CG1 4.28Å; F476-V486 HydrophobicContact CZ-CG2 4.2Å
477D92.8Very high88.5Confident64 Ų6434.5 Ų34.534%0.34219%0.191SC..EExtended strand (participates in β ladder)trans-127.7110.6-177.9-178.316000108.8K421 N485K421-D477 HydrophobicContact CG-CB 4.36Å; D477-N485 HydrophobicContact CB-CB 4.24Å; D477-N485 PolarHBondContact N-O 2.99Å; D477-N485 PolarHBondContact O-N 3Å
478I90.1Very high88.7Confident2 Ų226.1 Ų26.11%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-101.5122.7178-55.9172.1000108.1A395 L399 I412 I418 P419 T420 I483 L484A395-I478 HydrophobicContact CB-CD1 4.1Å; L399-I478 HydrophobicContact CD1-CD1 3.34Å; L399-I478 HydrophobicContact CD1-CG1 3.93Å; I412-I478 HydrophobicContact CB-CD1 4.28Å; I412-I478 HydrophobicContact CD1-CD1 3.46Å; I412-I478 VanDerWaalsContact CD1-CD1 3.46Å; I412-I478 HydrophobicContact CD1-CG1 3.67Å; I412-I478 HydrophobicContact CG1-CD1 4.43Å; I412-I478 HydrophobicContact CG2-CD1 3.78Å; I418-I478 HydrophobicContact CB-CG2 4.28Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.28Å; I418-I478 HydrophobicContact CG2-CG2 3.69Å; P419-I478 CarbonylContact C-O 3.43Å; P419-I478 WeakPolarHBondContact CA-O 3.44Å; P419-I478 WeakPolarHBondContact CB-O 3.42Å; T420-I478 HydrophobicContact CG2-CB 4.43Å; T420-I478 HydrophobicContact CG2-CD1 4.26Å; T420-I478 PolarHBondContact N-O 3.2Å; T420-I478 PolarHBondContact O-N 3.31Å; I478-I483 WeakPolarHBondContact CA-O 3.49Å; I478-L484 HydrophobicContact CG1-CD1 3.89Å
479D89.7Confident89.1Confident43 Ų4325.9 Ų25.923%0.2315%0.15CC..  trans-77.8179.8178.984-7.1000112.5N481 G482 I483D479-N481 PolarHBondContact O-N 2.86Å; D479-N481 VanDerWaalsContact OD1-CA 3.32Å; D479-N481 WeakPolarHBondContact OD1-CA 3.45Å; D479-N481 VanDerWaalsContact OD1-CB 3.26Å; D479-N481 WeakPolarHBondContact OD1-CB 3.48Å; D479-N481 PolarHBondContact OD1-N 3.27Å; D479-N481 PolarHBondContact OD2-ND2 2.66Å; D479-G482 PolarHBondContact O-N 3.18Å; D479-G482 PolarHBondContact OD1-N 3.46Å; D479-G482 VanDerWaalsContact OD1-N 3.12Å; D479-I483 PolarHBondContact N-O 3.35Å; D479-I483 PolarHBondContact OD1-N 3.49Å
480A88.6Confident89.2Confident31 Ų3122.4 Ų22.426%0.25613%0.128SC..THydrogen-bonded Turntrans-74.7-2.1-178.500000114.3R169 P419R169-A480 WeakPolarHBondContact CD-O 3.27Å; R169-A480 PolarHBondContact NH1-O 3.36Å; P419-A480 HydrophobicContact CG-CB 4.49Å
481N83.5Confident89.4Confident18 Ų1827.4 Ų27.410%0.09615%0.148CC..THydrogen-bonded Turntrans-95.6-5.4169.4-58.1-66.7000112R169 I170 D479 I483R169-N481 WeakPolarHBondContact CA-OD1 3.3Å; R169-N481 WeakPolarHBondContact CD-OD1 3.45Å; I170-N481 HydrophobicContact CB-CB 4.3Å; I170-N481 PolarHBondContact N-OD1 2.87Å; D479-N481 PolarHBondContact O-N 2.86Å; D479-N481 VanDerWaalsContact OD1-CA 3.32Å; D479-N481 WeakPolarHBondContact OD1-CA 3.45Å; D479-N481 VanDerWaalsContact OD1-CB 3.26Å; D479-N481 WeakPolarHBondContact OD1-CB 3.48Å; D479-N481 PolarHBondContact OD1-N 3.27Å; D479-N481 PolarHBondContact OD2-ND2 2.66Å; N481-I483 HydrophobicContact CB-CD1 3.87Å; N481-I483 HydrophobicContact CB-CG1 3.98Å
482G84.5Confident89.1Confident16 Ų1626.4 Ų26.417%0.16516%0.163CC..SBendtrans7919.2-171.300000113.8D479D479-G482 PolarHBondContact O-N 3.18Å; D479-G482 PolarHBondContact OD1-N 3.46Å; D479-G482 VanDerWaalsContact OD1-N 3.12Å
483I82.1Confident89Confident6 Ų629.1 Ų29.13%0.03118%0.18CC..  trans-91.2131.5-180-61.4167.9000109.8K157 I478 D479 N481K157-I483 HydrophobicContact CD-CD1 3.88Å; I478-I483 WeakPolarHBondContact CA-O 3.49Å; D479-I483 PolarHBondContact N-O 3.35Å; D479-I483 PolarHBondContact OD1-N 3.49Å; N481-I483 HydrophobicContact CB-CD1 3.87Å; N481-I483 HydrophobicContact CB-CG1 3.98Å
484L85Confident88.6Confident1 Ų129.3 Ų29.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-89.8130.5-174.9178.564.1000113.2D150 L399 V440 L454 F476 I478 V486 I501D150-L484 PolarHBondContact OD1-N 3.05Å; D150-L484 VanDerWaalsContact OD1-N 3.12Å; L399-L484 HydrophobicContact CD1-CD1 4.31Å; L399-L484 HydrophobicContact CD1-CD2 4.21Å; L399-L484 HydrophobicContact CD2-CD2 4.12Å; V440-L484 HydrophobicContact CG1-CD2 3.7Å; L454-L484 HydrophobicContact CD1-CD2 3.97Å; F476-L484 HydrophobicContact CB-CD1 4.07Å; F476-L484 HydrophobicContact CD1-CD1 3.82Å; F476-L484 HydrophobicContact CD1-CD2 4.1Å; F476-L484 HydrophobicContact CE1-CD2 4.2Å; F476-L484 HydrophobicContact CG-CD1 4.24Å; I478-L484 HydrophobicContact CG1-CD1 3.89Å; L484-V486 HydrophobicContact CD1-CG2 3.9Å; L484-V486 HydrophobicContact CD2-CG2 3.74Å; L484-V486 HydrophobicContact CG-CG2 3.69Å; L484-I501 HydrophobicContact CB-CB 4.44Å; L484-I501 HydrophobicContact CD2-CB 4.49Å; L484-I501 HydrophobicContact CD2-CG1 3.99Å; L484-I501 HydrophobicContact CG-CB 4.41Å; L484-I501 HydrophobicContact CG-CG1 4.08Å; L484-I501 WeakPolarHBondContact O-CB 3.47Å; L484-I501 PolarHBondContact O-N 3.2Å
485N87.9Confident88.1Confident46 Ų4634.1 Ų34.125%0.24622%0.216CC..EExtended strand (participates in β ladder)trans-113.4130166.4-64.4-87.7000109.3D477 T500D477-N485 HydrophobicContact CB-CB 4.24Å; D477-N485 PolarHBondContact N-O 2.99Å; D477-N485 PolarHBondContact O-N 3Å; N485-T500 WeakPolarHBondContact OD1-CB 3.31Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.31Å; N485-T500 PolarHBondContact OD1-OG1 3.45Å
486V89.8Confident87.6Confident1 Ų140.1 Ų40.11%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-123.1122.9179-174.60000110.8V440 F457 V474 T475 F476 L484 I499 I501V440-V486 HydrophobicContact CG1-CG2 4.22Å; V440-V486 HydrophobicContact CG2-CB 4.39Å; V440-V486 HydrophobicContact CG2-CG1 4.15Å; V440-V486 HydrophobicContact CG2-CG2 4.11Å; F457-V486 HydrophobicContact CE1-CB 4.21Å; F457-V486 HydrophobicContact CE1-CG1 3.78Å; F457-V486 HydrophobicContact CZ-CB 4.48Å; F457-V486 HydrophobicContact CZ-CG1 3.81Å; V474-V486 HydrophobicContact CG1-CG1 3.88Å; T475-V486 CarbonylContact O-C 3.55Å; T475-V486 VanDerWaalsContact O-CA 3.3Å; T475-V486 WeakPolarHBondContact O-CA 3.45Å; F476-V486 HydrophobicContact CD1-CG2 4.12Å; F476-V486 HydrophobicContact CD2-CG1 3.93Å; F476-V486 HydrophobicContact CD2-CG2 4.17Å; F476-V486 HydrophobicContact CE1-CG2 4.16Å; F476-V486 HydrophobicContact CE2-CG1 3.7Å; F476-V486 HydrophobicContact CE2-CG2 4.2Å; F476-V486 HydrophobicContact CG-CG2 4.13Å; F476-V486 HydrophobicContact CZ-CG1 4.28Å; F476-V486 HydrophobicContact CZ-CG2 4.2Å; L484-V486 HydrophobicContact CD1-CG2 3.9Å; L484-V486 HydrophobicContact CD2-CG2 3.74Å; L484-V486 HydrophobicContact CG-CG2 3.69Å; V486-I499 CarbonylContact C-O 3.6Å; V486-I499 HydrophobicContact CB-CG2 4.1Å; V486-I499 PolarHBondContact N-O 3Å; V486-I499 CarbonylContact O-C 3.5Å; V486-I499 PolarHBondContact O-N 3.34Å; V486-I501 HydrophobicContact CB-CD1 4.33Å; V486-I501 HydrophobicContact CB-CG1 4.07Å; V486-I501 HydrophobicContact CG2-CD1 4.09Å; V486-I501 HydrophobicContact CG2-CG1 3.56Å
487S91.3Very high86.6Confident33 Ų3343.2 Ų43.223%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-118.9150.9173.662.20000111.5V474 T475V474-S487 CarbonylContact C-O 3.59Å; V474-S487 VanDerWaalsContact CA-O 3.31Å; V474-S487 WeakPolarHBondContact CA-O 3.2Å; T475-S487 WeakPolarHBondContact CB-OG 3.44Å; T475-S487 PolarHBondContact N-O 3.2Å; T475-S487 PolarHBondContact O-N 2.96Å
488A90Very high85.7Confident0 Ų047 Ų470%027%0.273CS..EExtended strand (participates in β ladder)trans-132.2133.7173.800000110.5I438 F457 L459 I472 E473 V474 Q496 N497I438-A488 HydrophobicContact CD1-CB 3.26Å; F457-A488 HydrophobicContact CE2-CB 3.71Å; F457-A488 HydrophobicContact CZ-CB 4.03Å; L459-A488 HydrophobicContact CD2-CB 4.07Å; I472-A488 HydrophobicContact CG2-CB 4.38Å; E473-A488 CarbonylContact O-C 3.5Å; E473-A488 VanDerWaalsContact O-CA 3.29Å; E473-A488 WeakPolarHBondContact O-CA 3.36Å; V474-A488 HydrophobicContact CG2-CB 4.15Å; A488-Q496 CarbonylContact O-C 2.95Å; A488-Q496 VanDerWaalsContact O-CA 3.31Å; A488-Q496 WeakPolarHBondContact O-CA 3.41Å; A488-N497 PolarHBondContact N-O 2.84Å; A488-N497 PolarHBondContact O-N 3.13Å
489V91.4Very high84.6Confident33 Ų3348 Ų4820%0.228%0.278CS..EExtended strand (participates in β ladder)trans-127.3126.2-179.8-176.90000109I472 E473 K491 K495 Q496I472-V489 CarbonylContact C-O 3.57Å; I472-V489 WeakPolarHBondContact CA-O 3.37Å; E473-V489 PolarHBondContact N-O 3.27Å; E473-V489 PolarHBondContact O-N 2.68Å; V489-K491 PolarHBondContact O-N 2.98Å; V489-K495 WeakPolarHBondContact CA-O 3.37Å; V489-Q496 HydrophobicContact CB-CB 4.49Å; V489-Q496 HydrophobicContact CG2-CB 3.75Å
490D89.5Confident83.2Confident6 Ų648.7 Ų48.73%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-77.7112.3164.2171.613.3000108.9L459 I472 G492 T493 G494 K495L459-D490 HydrophobicContact CD2-CB 4.33Å; I472-D490 HydrophobicContact CD1-CB 3.95Å; D490-G492 PolarHBondContact O-N 3.38Å; D490-G492 PolarHBondContact OD1-N 3.24Å; D490-T493 VanDerWaalsContact CG-OG1 3.28Å; D490-T493 PolarHBondContact O-N 3.43Å; D490-T493 WeakPolarHBondContact OD2-CB 3.05Å; D490-T493 VanDerWaalsContact OD2-CG2 3.27Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.35Å; D490-T493 PolarHBondContact OD2-OG1 2.96Å; D490-G494 VanDerWaalsContact O-CA 3.32Å; D490-G494 WeakPolarHBondContact O-CA 3.5Å; D490-G494 PolarHBondContact O-N 2.87Å; D490-K495 PolarHBondContact N-O 3.27Å
491K90.1Very high81.8Confident119 Ų11947.2 Ų47.252%0.51727%0.271SS..THydrogen-bonded Turntrans-64.5-24.3-179.3-75.1-164.9166.4171.90113.8Q471 E473 V489Q471-K491 HydrophobicContact CB-CB 4.15Å; Q471-K491 PolarHBondContact O-N 2.84Å; E473-K491 HydrophobicContact CB-CG 4.38Å; E473-K491 VanDerWaalsContact CD-CE 3.46Å; E473-K491 WeakPolarHBondContact OE2-CE 3.03Å; E473-K491 IonicContact OE2-NZ 2.65Å; E473-K491 PolarHBondContact OE2-NZ 3.37Å; V489-K491 PolarHBondContact O-N 2.98Å
492G84.7Confident80.2Confident70 Ų7048.6 Ų48.672%0.72228%0.281SS*.THydrogen-bonded Turntrans-74.3-40.8179.900000112.4D490D490-G492 PolarHBondContact O-N 3.38Å; D490-G492 PolarHBondContact OD1-N 3.24Å
493T85.4Confident78.5Confident59 Ų5949.1 Ų49.136%0.36228%0.28SS..THydrogen-bonded Turntrans-102.9-15.3-17660.50000114P463 D490 K495P463-T493 HydrophobicContact CG-CG2 3.48Å; P463-T493 VanDerWaalsContact CG-CG2 3.48Å; D490-T493 VanDerWaalsContact CG-OG1 3.28Å; D490-T493 PolarHBondContact O-N 3.43Å; D490-T493 WeakPolarHBondContact OD2-CB 3.05Å; D490-T493 VanDerWaalsContact OD2-CG2 3.27Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.35Å; D490-T493 PolarHBondContact OD2-OG1 2.96Å; T493-K495 PolarHBondContact O-N 3.46Å; T493-K495 WeakPolarHBondContact OG1-CB 3.46Å; T493-K495 PolarHBondContact OG1-N 3.45Å
494G83.5Confident76.9Confident54 Ų5455.3 Ų55.356%0.55731%0.313SS*.  trans68.62.4-169.300000113.5D490 Q496D490-G494 VanDerWaalsContact O-CA 3.32Å; D490-G494 WeakPolarHBondContact O-CA 3.5Å; D490-G494 PolarHBondContact O-N 2.87Å; G494-Q496 PolarHBondContact O-N 3.37Å
495K81.7Confident75.2Confident104 Ų10463.5 Ų63.545%0.45235%0.348SS..  trans-64.3125.4174.3-77.6-177.2-179.5172.50108.6G461 V489 D490 T493G461-K495 PolarHBondContact O-NZ 2.99Å; G461-K495 VanDerWaalsContact O-NZ 3.12Å; V489-K495 WeakPolarHBondContact CA-O 3.37Å; D490-K495 PolarHBondContact N-O 3.27Å; T493-K495 PolarHBondContact O-N 3.46Å; T493-K495 WeakPolarHBondContact OG1-CB 3.46Å; T493-K495 PolarHBondContact OG1-N 3.45Å
496Q82.9Confident73.5Confident136 Ų13663 Ų6364%0.63635%0.354SS*.EExtended strand (participates in β ladder)trans-111.7142.3172.168.6179-1.100109.6A488 V489 G494A488-Q496 CarbonylContact O-C 2.95Å; A488-Q496 VanDerWaalsContact O-CA 3.31Å; A488-Q496 WeakPolarHBondContact O-CA 3.41Å; V489-Q496 HydrophobicContact CB-CB 4.49Å; V489-Q496 HydrophobicContact CG2-CB 3.75Å; G494-Q496 PolarHBondContact O-N 3.37Å
497N74Confident72.3Confident66 Ų6665.8 Ų65.835%0.35337%0.365SS..EExtended strand (participates in β ladder)trans-126.1139.4158.1-154.8-1.7000107.3F457 E458 L459 A488F457-N497 HydrophobicContact CD2-CB 4.5Å; E458-N497 PolarHBondContact O-ND2 3.22Å; L459-N497 HydrophobicContact CD1-CB 3.72Å; A488-N497 PolarHBondContact N-O 2.84Å; A488-N497 PolarHBondContact O-N 3.13Å
498K74.5Confident71.3Confident144 Ų14464.7 Ų64.763%0.62636%0.356SS*.EExtended strand (participates in β ladder)trans-129.3143.9176.767.4174.9-175.81730108.9
499I65.6Low70.7Confident21 Ų2166.9 Ų66.911%0.10837%0.371CS..EExtended strand (participates in β ladder)trans-116.3122.3163.9-163170000106F457 V486 I501F457-I499 HydrophobicContact CB-CB 4.07Å; F457-I499 HydrophobicContact CB-CD1 4.11Å; F457-I499 HydrophobicContact CB-CG2 4.38Å; F457-I499 HydrophobicContact CD1-CB 3.78Å; F457-I499 HydrophobicContact CD1-CD1 4.45Å; F457-I499 HydrophobicContact CD1-CG2 3.15Å; F457-I499 HydrophobicContact CE1-CB 4.3Å; F457-I499 HydrophobicContact CE1-CG2 3.35Å; F457-I499 HydrophobicContact CG-CB 3.9Å; F457-I499 HydrophobicContact CG-CG2 3.8Å; F457-I499 HydrophobicContact CZ-CG2 4.14Å; V486-I499 CarbonylContact C-O 3.6Å; V486-I499 HydrophobicContact CB-CG2 4.1Å; V486-I499 PolarHBondContact N-O 3Å; V486-I499 CarbonylContact O-C 3.5Å; V486-I499 PolarHBondContact O-N 3.34Å; I499-I501 HydrophobicContact CG2-CD1 3.48Å; I499-I501 VanDerWaalsContact CG2-CD1 3.48Å; I499-I501 HydrophobicContact CG2-CG1 4.05Å; I499-I501 PolarHBondContact O-N 3.08Å
500T62.2Low70Confident58 Ų5872.2 Ų72.236%0.35639%0.392SS..EExtended strand (participates in β ladder)trans-69.7117.9151.5-67.10000103.8N485 T502N485-T500 WeakPolarHBondContact OD1-CB 3.31Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.31Å; N485-T500 PolarHBondContact OD1-OG1 3.45Å; T500-T502 HydrophobicContact CG2-CG2 3.77Å; T500-T502 WeakPolarHBondContact O-CB 3.17Å; T500-T502 WeakPolarHBondContact O-CG2 3.48Å; T500-T502 PolarHBondContact O-N 2.8Å; T500-T502 PolarHBondContact O-OG1 3.12Å
501I57.5Low69.8Low0 Ų078 Ų780%042%0.419CS..  trans-61.397.2-177.4-66.4-73.7000105.9V440 L454 L484 V486 I499V440-I501 HydrophobicContact CB-CD1 3.72Å; V440-I501 HydrophobicContact CG1-CD1 3.99Å; V440-I501 HydrophobicContact CG1-CG1 4.31Å; V440-I501 HydrophobicContact CG2-CD1 3.72Å; L454-I501 HydrophobicContact CB-CG2 3.64Å; L454-I501 HydrophobicContact CD1-CG2 4.4Å; L484-I501 HydrophobicContact CB-CB 4.44Å; L484-I501 HydrophobicContact CD2-CB 4.49Å; L484-I501 HydrophobicContact CD2-CG1 3.99Å; L484-I501 HydrophobicContact CG-CB 4.41Å; L484-I501 HydrophobicContact CG-CG1 4.08Å; L484-I501 WeakPolarHBondContact O-CB 3.47Å; L484-I501 PolarHBondContact O-N 3.2Å; V486-I501 HydrophobicContact CB-CD1 4.33Å; V486-I501 HydrophobicContact CB-CG1 4.07Å; V486-I501 HydrophobicContact CG2-CD1 4.09Å; V486-I501 HydrophobicContact CG2-CG1 3.56Å; I499-I501 HydrophobicContact CG2-CD1 3.48Å; I499-I501 VanDerWaalsContact CG2-CD1 3.48Å; I499-I501 HydrophobicContact CG2-CG1 4.05Å; I499-I501 PolarHBondContact O-N 3.08Å
502T51.3Low69.4Low47 Ų4774.5 Ų74.529%0.28840%0.404SS..  trans-125.9101.5179.946.7000099.4T500 D504T500-T502 HydrophobicContact CG2-CG2 3.77Å; T500-T502 WeakPolarHBondContact O-CB 3.17Å; T500-T502 WeakPolarHBondContact O-CG2 3.48Å; T500-T502 PolarHBondContact O-N 2.8Å; T500-T502 PolarHBondContact O-OG1 3.12Å; T502-D504 PolarHBondContact O-N 2.99Å
503N48.1Very low69.1Low27 Ų2772.3 Ų72.314%0.14438%0.376CS..  trans-59.7101-169.7-156.1-20.1000109.1L454 K505 R507L454-N503 WeakPolarHBondContact O-CB 3.34Å; L454-N503 PolarHBondContact O-ND2 3.18Å; L454-N503 PolarHBondContact O-OD1 2.98Å; N503-K505 PolarHBondContact O-N 2.95Å; N503-R507 WeakPolarHBondContact O-CB 3.36Å; N503-R507 PolarHBondContact O-N 2.89Å
504D49Very low69Low137 Ų13774.6 Ų74.673%0.73338%0.382SS*.THydrogen-bonded Turntrans-57.9-17.8-175.4-86.9-22.2000112.5T502T502-D504 PolarHBondContact O-N 2.99Å
505K49.3Very low69.3Low172 Ų17277.9 Ų77.975%0.74838%0.378SS*.THydrogen-bonded Turntrans-113.277.5178.3-68.6-170.6176.2-171.10110.7N503N503-K505 PolarHBondContact O-N 2.95Å
506G52.1Low69.5Low35 Ų3573.1 Ų73.136%0.36136%0.357SS..THydrogen-bonded Turntrans146.9-30.2168.600000113.6K98K98-G506 WeakPolarHBondContact CE-O 3.28Å
507R65.3Low69.5Low61 Ų6168.6 Ų68.623%0.2334%0.339CS..SBendtrans-76.7153.1-175.3-162.3-177.8162.2177.6-7.2112.5K98 Q154 D158 N503K98-R507 WeakPolarHBondContact CE-O 3.45Å; K98-R507 PolarHBondContact NZ-O 3.47Å; Q154-R507 VanDerWaalsContact CG-NE 3.33Å; Q154-R507 VanDerWaalsContact OE1-NH1 3.09Å; D158-R507 IonicContact OD1-CZ 3.42Å; D158-R507 IonicContact OD1-NE 3.62Å; D158-R507 IonicContact OD1-NH2 3.49Å; D158-R507 PolarHBondContact OD1-NH2 2.69Å; D158-R507 IonicContact OD2-CZ 3.27Å; D158-R507 IonicContact OD2-NE 3.47Å; D158-R507 PolarHBondContact OD2-NE 2.86Å; D158-R507 IonicContact OD2-NH2 2.69Å; D158-R507 PolarHBondContact OD2-NH2 2.83Å; N503-R507 WeakPolarHBondContact O-CB 3.36Å; N503-R507 PolarHBondContact O-N 2.89Å
508L68.8Low70.2Confident9 Ų968 Ų685%0.04734%0.343CS..PPolyproline II helixtrans-69.5126.5168.9-58.4171.5000110.3E115 I162 E512 I513 M516E115-L508 HydrophobicContact CB-CD1 4.04Å; E115-L508 HydrophobicContact CG-CD1 4.12Å; I162-L508 HydrophobicContact CD1-CD1 3.96Å; L508-E512 VanDerWaalsContact CA-OE2 3.3Å; L508-E512 WeakPolarHBondContact CA-OE2 3.11Å; L508-E512 HydrophobicContact CB-CB 4.15Å; L508-E512 HydrophobicContact CD2-CB 4.13Å; L508-I513 HydrophobicContact CB-CD1 4.31Å; L508-I513 HydrophobicContact CB-CG1 3.67Å; L508-I513 HydrophobicContact CD1-CG1 4.31Å; L508-M516 HydrophobicContact CD1-CE 4.07Å; L508-M516 HydrophobicContact CD1-SD 3.36Å; L508-M516 WeakPolarHBondContact CD1-SD 3.27Å; L508-M516 HydrophobicContact CD2-CE 3.25Å; L508-M516 HydrophobicContact CD2-SD 3.68Å; L508-M516 HydrophobicContact CG-CE 4.29Å; L508-M516 HydrophobicContact CG-SD 4.12Å
509S77.5Confident70.6Confident46 Ų4663.8 Ų63.832%0.32233%0.328SS..PPolyproline II helixtrans-65.3163.8167.589.20000110E511 E512 I513S509-E511 VanDerWaalsContact CB-OE2 3.24Å; S509-E511 WeakPolarHBondContact CB-OE2 3.47Å; S509-E511 PolarHBondContact O-N 3.43Å; S509-E511 PolarHBondContact OG-N 3.11Å; S509-E511 PolarHBondContact OG-OE2 3.38Å; S509-E512 PolarHBondContact N-OE2 3.35Å; S509-E512 WeakPolarHBondContact O-CB 3.44Å; S509-E512 PolarHBondContact O-N 3.12Å; S509-E512 PolarHBondContact OG-N 3.21Å; S509-E512 VanDerWaalsContact OG-N 3.1Å; S509-I513 WeakPolarHBondContact O-CG1 2.99Å; S509-I513 PolarHBondContact O-N 2.96Å
510K78.1Confident71.2Confident146 Ų14663.7 Ų63.764%0.63533%0.33SS*.Hα-helixtrans-58.1-39.5176.3-170.2-178.8177-164.50111.2I513 E514K510-I513 PolarHBondContact O-N 3.39Å; K510-E514 WeakPolarHBondContact CE-OE1 3.43Å; K510-E514 IonicContact NZ-OE1 3.52Å; K510-E514 WeakPolarHBondContact O-CB 3.49Å; K510-E514 WeakPolarHBondContact O-CG 3.25Å; K510-E514 PolarHBondContact O-N 2.87Å
511E84Confident72.2Confident127 Ų12765.6 Ų65.659%0.59334%0.338SS*.Hα-helixtrans-66.4-36.9176-54.373.2-158.600111.8S509 R515S509-E511 VanDerWaalsContact CB-OE2 3.24Å; S509-E511 WeakPolarHBondContact CB-OE2 3.47Å; S509-E511 PolarHBondContact O-N 3.43Å; S509-E511 PolarHBondContact OG-N 3.11Å; S509-E511 PolarHBondContact OG-OE2 3.38Å; E511-R515 WeakPolarHBondContact O-CB 3.28Å; E511-R515 PolarHBondContact O-N 2.95Å
512E82.8Confident73.6Confident45 Ų4571.1 Ų71.121%0.2136%0.362CS..Hα-helixtrans-67-40.8173.5-67.8179.4110.200111.7K98 L508 S509 R515 M516K98-E512 IonicContact NZ-OE1 2.72Å; K98-E512 PolarHBondContact NZ-OE1 3.18Å; K98-E512 IonicContact NZ-OE2 3.45Å; K98-E512 PolarHBondContact NZ-OE2 3.2Å; L508-E512 VanDerWaalsContact CA-OE2 3.3Å; L508-E512 WeakPolarHBondContact CA-OE2 3.11Å; L508-E512 HydrophobicContact CB-CB 4.15Å; L508-E512 HydrophobicContact CD2-CB 4.13Å; S509-E512 PolarHBondContact N-OE2 3.35Å; S509-E512 WeakPolarHBondContact O-CB 3.44Å; S509-E512 PolarHBondContact O-N 3.12Å; S509-E512 PolarHBondContact OG-N 3.21Å; S509-E512 VanDerWaalsContact OG-N 3.1Å; E512-R515 PolarHBondContact O-N 2.81Å; E512-R515 IonicContact OE1-NH2 2.97Å; E512-M516 WeakPolarHBondContact O-CB 3.19Å; E512-M516 WeakPolarHBondContact O-CG 3.38Å; E512-M516 PolarHBondContact O-N 2.87Å
513I77.6Confident75.1Confident25 Ų2569.9 Ų69.913%0.12835%0.352CS..Hα-helixtrans-63.2-48.1174.8-65.2171.2000109.8D158 A161 I162 L508 S509 K510 R515 M516 V517D158-I513 HydrophobicContact CB-CD1 4.21Å; A161-I513 HydrophobicContact CB-CG2 4.45Å; I162-I513 HydrophobicContact CG1-CG2 4.34Å; L508-I513 HydrophobicContact CB-CD1 4.31Å; L508-I513 HydrophobicContact CB-CG1 3.67Å; L508-I513 HydrophobicContact CD1-CG1 4.31Å; S509-I513 WeakPolarHBondContact O-CG1 2.99Å; S509-I513 PolarHBondContact O-N 2.96Å; K510-I513 PolarHBondContact O-N 3.39Å; I513-R515 VanDerWaalsContact C-N 3.3Å; I513-R515 PolarHBondContact O-N 2.88Å; I513-M516 CarbonylContact O-C 3.6Å; I513-M516 PolarHBondContact O-N 2.79Å; I513-M516 VanDerWaalsContact O-N 3.08Å; I513-V517 HydrophobicContact CG2-CG2 4.24Å; I513-V517 VanDerWaalsContact O-CG2 3.29Å; I513-V517 WeakPolarHBondContact O-CG2 3.32Å; I513-V517 PolarHBondContact O-N 2.98Å
514E84.3Confident76.6Confident107 Ų10771.9 Ų71.950%0.536%0.359SS..Hα-helixtrans-59.7-40.7178-74.9172.8-173.900111.7K510 V517 A518K510-E514 WeakPolarHBondContact CE-OE1 3.43Å; K510-E514 IonicContact NZ-OE1 3.52Å; K510-E514 WeakPolarHBondContact O-CB 3.49Å; K510-E514 WeakPolarHBondContact O-CG 3.25Å; K510-E514 PolarHBondContact O-N 2.87Å; E514-V517 PolarHBondContact O-N 2.87Å; E514-A518 PolarHBondContact O-N 3.39Å
515R89.6Confident78.3Confident123 Ų12368 Ų6846%0.46435%0.346SS..Hα-helixtrans-62.7-44172.3-176-174.664.7-130.5-7111.7E511 E512 I513 A518 D519E511-R515 WeakPolarHBondContact O-CB 3.28Å; E511-R515 PolarHBondContact O-N 2.95Å; E512-R515 PolarHBondContact O-N 2.81Å; E512-R515 IonicContact OE1-NH2 2.97Å; I513-R515 VanDerWaalsContact C-N 3.3Å; I513-R515 PolarHBondContact O-N 2.88Å; R515-A518 WeakPolarHBondContact O-CB 3.4Å; R515-A518 PolarHBondContact O-N 2.74Å; R515-D519 PolarHBondContact O-N 3.47Å
516M85.5Confident80Confident4 Ų462.2 Ų62.22%0.0232%0.322CS..Hα-helixtrans-67.2-34.8178.5-73.9175.9177.800112.7E116 I162 L508 E512 I513 D519 A520E116-M516 VanDerWaalsContact CD-CE 3.44Å; E116-M516 HydrophobicContact CG-CB 4.5Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.91Å; E116-M516 HydrophobicContact CG-SD 3.55Å; E116-M516 VanDerWaalsContact CG-SD 3.55Å; E116-M516 VanDerWaalsContact OE2-CE 3.22Å; E116-M516 WeakPolarHBondContact OE2-CE 3.32Å; I162-M516 HydrophobicContact CD1-CB 3.95Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.74Å; I162-M516 HydrophobicContact CG1-CB 3.91Å; I162-M516 HydrophobicContact CG2-CB 4.11Å; L508-M516 HydrophobicContact CD1-CE 4.07Å; L508-M516 HydrophobicContact CD1-SD 3.36Å; L508-M516 WeakPolarHBondContact CD1-SD 3.27Å; L508-M516 HydrophobicContact CD2-CE 3.25Å; L508-M516 HydrophobicContact CD2-SD 3.68Å; L508-M516 HydrophobicContact CG-CE 4.29Å; L508-M516 HydrophobicContact CG-SD 4.12Å; E512-M516 WeakPolarHBondContact O-CB 3.19Å; E512-M516 WeakPolarHBondContact O-CG 3.38Å; E512-M516 PolarHBondContact O-N 2.87Å; I513-M516 CarbonylContact O-C 3.6Å; I513-M516 PolarHBondContact O-N 2.79Å; I513-M516 VanDerWaalsContact O-N 3.08Å; M516-D519 PolarHBondContact O-N 3.42Å; M516-A520 VanDerWaalsContact O-CB 3.25Å; M516-A520 WeakPolarHBondContact O-CB 3.37Å; M516-A520 PolarHBondContact O-N 3.16Å
517V82.2Confident81.3Confident40 Ų4061.9 Ų61.924%0.24231%0.312CS..Hα-helixtrans-62-47.3170.6171.10000109.5I513 E514 D519 A520 D521I513-V517 HydrophobicContact CG2-CG2 4.24Å; I513-V517 VanDerWaalsContact O-CG2 3.29Å; I513-V517 WeakPolarHBondContact O-CG2 3.32Å; I513-V517 PolarHBondContact O-N 2.98Å; E514-V517 PolarHBondContact O-N 2.87Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.19Å; V517-A520 WeakPolarHBondContact O-CB 3.49Å; V517-A520 PolarHBondContact O-N 3.2Å; V517-D521 PolarHBondContact O-N 3.13Å
518A88Confident82.2Confident55 Ų5563 Ų6346%0.45532%0.32SS..Hα-helixtrans-62.4-39.9177.300000112.6E514 R515 D521 K522E514-A518 PolarHBondContact O-N 3.39Å; R515-A518 WeakPolarHBondContact O-CB 3.4Å; R515-A518 PolarHBondContact O-N 2.74Å; A518-D521 PolarHBondContact O-N 2.88Å; A518-K522 WeakPolarHBondContact O-CB 3.47Å; A518-K522 PolarHBondContact O-N 3.3Å
519D84.9Confident83.1Confident55 Ų5568 Ų6829%0.29434%0.341SS..Hα-helixtrans-65.9-41.3174-73.5-27000111.2R515 M516 V517 K522 Y523R515-D519 PolarHBondContact O-N 3.47Å; M516-D519 PolarHBondContact O-N 3.42Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.19Å; D519-K522 WeakPolarHBondContact O-CB 3.37Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-Y523 HydrophobicContact CB-CE2 4.17Å; D519-Y523 WeakPolarHBondContact O-CD2 3.3Å; D519-Y523 PolarHBondContact O-N 2.88Å
520A77.9Confident83.3Confident19 Ų1967.1 Ų67.116%0.15733%0.332CS..Hα-helixtrans-62.3-43175.600000111.9I162 M516 V517 Y523 K524I162-A520 HydrophobicContact CG2-CB 4.02Å; M516-A520 VanDerWaalsContact O-CB 3.25Å; M516-A520 WeakPolarHBondContact O-CB 3.37Å; M516-A520 PolarHBondContact O-N 3.16Å; V517-A520 WeakPolarHBondContact O-CB 3.49Å; V517-A520 PolarHBondContact O-N 3.2Å; A520-Y523 PolarHBondContact O-N 3.44Å; A520-K524 WeakPolarHBondContact O-CB 3.43Å; A520-K524 PolarHBondContact O-N 3.49Å
521D81.8Confident83.5Confident98 Ų9866.4 Ų66.452%0.52433%0.325SS..Hα-helixtrans-64-40.8174.9-77.6-25.3000111.8V517 A518 K524 A525V517-D521 PolarHBondContact O-N 3.13Å; A518-D521 PolarHBondContact O-N 2.88Å; D521-K524 PolarHBondContact O-N 2.95Å; D521-A525 PolarHBondContact O-N 2.92Å
522K87.3Confident83.7Confident116 Ų11663.9 Ų63.950%0.50432%0.316SS..Hα-helixtrans-59-50.8173.5177.7-172.6172-173.60110.9A518 D519 K524 A525 E526A518-K522 WeakPolarHBondContact O-CB 3.47Å; A518-K522 PolarHBondContact O-N 3.3Å; D519-K522 WeakPolarHBondContact O-CB 3.37Å; D519-K522 PolarHBondContact O-N 3.14Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 2.7Å; K522-A525 PolarHBondContact O-N 3.14Å; K522-E526 VanDerWaalsContact CE-OE1 3.3Å; K522-E526 WeakPolarHBondContact CE-OE1 3.04Å; K522-E526 PolarHBondContact O-N 3.37Å; K522-E526 VanDerWaalsContact O-N 3.15Å
523Y83.1Confident84.1Confident20 Ų2063.2 Ų63.28%0.07831%0.311CS..Hα-helixtrans-67.7-32.8-179.3-62.8-56.5000112.4Y105 F112 D519 A520 A525 E526 D527Y105-Y523 HydrophobicContact CD1-CE1 4.3Å; Y105-Y523 HydrophobicContact CE1-CD1 4.05Å; Y105-Y523 AromaticContact CE1-CE1 3.77Å; Y105-Y523 HydrophobicContact CE1-CE1 3.77Å; F112-Y523 HydrophobicContact CE1-CE2 4.03Å; F112-Y523 HydrophobicContact CZ-CE2 4.44Å; D519-Y523 HydrophobicContact CB-CE2 4.17Å; D519-Y523 WeakPolarHBondContact O-CD2 3.3Å; D519-Y523 PolarHBondContact O-N 2.88Å; A520-Y523 PolarHBondContact O-N 3.44Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; Y523-A525 PolarHBondContact O-N 2.81Å; Y523-E526 WeakPolarHBondContact O-CB 3.1Å; Y523-E526 PolarHBondContact O-N 3.26Å; Y523-D527 PolarHBondContact O-N 2.9Å
524K80.2Confident84.4Confident69 Ų6964.4 Ų64.430%0.332%0.32SS..Hα-helixtrans-58.8-45.6172.3179.4-177.7171.9-176.90111.4A520 D521 K522 E526 D527 E528A520-K524 WeakPolarHBondContact O-CB 3.43Å; A520-K524 PolarHBondContact O-N 3.49Å; D521-K524 PolarHBondContact O-N 2.95Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 2.7Å; K524-E526 VanDerWaalsContact C-N 3.28Å; K524-E526 PolarHBondContact O-N 2.99Å; K524-D527 PolarHBondContact O-N 2.8Å; K524-E528 WeakPolarHBondContact CE-OE1 3.19Å; K524-E528 IonicContact NZ-OE1 2.95Å; K524-E528 WeakPolarHBondContact O-CG 3.37Å; K524-E528 PolarHBondContact O-N 3.15Å
525A85.2Confident84.6Confident55 Ų5562.9 Ų62.946%0.45532%0.321SS..Hα-helixtrans-62.7-35.1176.200000112.3D521 K522 Y523 K529D521-A525 PolarHBondContact O-N 2.92Å; K522-A525 PolarHBondContact O-N 3.14Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; Y523-A525 PolarHBondContact O-N 2.81Å; A525-K529 WeakPolarHBondContact O-CB 3.41Å; A525-K529 PolarHBondContact O-N 2.97Å
526E84.3Confident84.6Confident52 Ų5257.5 Ų57.524%0.24330%0.303CS..Hα-helixtrans-66.2-42.9173-67178.6-169.700112Y105 K106 K522 Y523 K524 K529 Q530Y105-E526 PolarHBondContact OH-OE2 3.16Å; K106-E526 IonicContact NZ-OE2 2.79Å; K106-E526 PolarHBondContact NZ-OE2 3.19Å; K522-E526 VanDerWaalsContact CE-OE1 3.3Å; K522-E526 WeakPolarHBondContact CE-OE1 3.04Å; K522-E526 PolarHBondContact O-N 3.37Å; K522-E526 VanDerWaalsContact O-N 3.15Å; Y523-E526 WeakPolarHBondContact O-CB 3.1Å; Y523-E526 PolarHBondContact O-N 3.26Å; K524-E526 VanDerWaalsContact C-N 3.28Å; K524-E526 PolarHBondContact O-N 2.99Å; E526-K529 PolarHBondContact O-N 2.54Å; E526-Q530 WeakPolarHBondContact O-CB 3.28Å; E526-Q530 PolarHBondContact O-N 2.78Å
527D79.6Confident84.8Confident27 Ų2758.9 Ų58.914%0.14431%0.309CS..Hα-helixtrans-65.8-38.3177.2-63.2-23.3000111.3R47 Y523 K524 Q530 R531R47-D527 IonicContact CZ-OD2 3.54Å; R47-D527 IonicContact NE-OD1 3.91Å; R47-D527 IonicContact NE-OD2 3.5Å; R47-D527 IonicContact NH2-OD2 3.63Å; R47-D527 PolarHBondContact NH2-OD2 3.37Å; Y523-D527 PolarHBondContact O-N 2.9Å; K524-D527 PolarHBondContact O-N 2.8Å; D527-Q530 PolarHBondContact O-N 2.94Å; D527-R531 WeakPolarHBondContact O-CB 3.37Å; D527-R531 PolarHBondContact O-N 3.33Å
528E83.5Confident85.1Confident85 Ų8560.6 Ų60.640%0.39732%0.317SS..Hα-helixtrans-63.8-46172.6-75.8175.8178.300111.6K524 Q530 R531 D532K524-E528 WeakPolarHBondContact CE-OE1 3.19Å; K524-E528 IonicContact NZ-OE1 2.95Å; K524-E528 WeakPolarHBondContact O-CG 3.37Å; K524-E528 PolarHBondContact O-N 3.15Å; E528-Q530 VanDerWaalsContact C-N 3.26Å; E528-Q530 PolarHBondContact O-N 3.25Å; E528-R531 WeakPolarHBondContact O-CB 3.38Å; E528-R531 PolarHBondContact O-N 3.43Å; E528-D532 WeakPolarHBondContact O-CB 3.44Å; E528-D532 PolarHBondContact O-N 2.86Å
529K87.3Confident85.2Confident114 Ų11460.1 Ų60.150%0.49631%0.31SS..Hα-helixtrans-58-41.8175.1-171.9-169.7176.3-154.70111.1A525 E526 D532 R533 E585A525-K529 WeakPolarHBondContact O-CB 3.41Å; A525-K529 PolarHBondContact O-N 2.97Å; E526-K529 PolarHBondContact O-N 2.54Å; K529-D532 PolarHBondContact O-N 2.99Å; K529-R533 WeakPolarHBondContact O-CB 3.16Å; K529-R533 PolarHBondContact O-N 3.48Å; K529-E585 WeakPolarHBondContact CE-OE2 3.43Å; K529-E585 IonicContact NZ-OE1 2.64Å; K529-E585 PolarHBondContact NZ-OE1 3.49Å; K529-E585 IonicContact NZ-OE2 2.97Å; K529-E585 PolarHBondContact NZ-OE2 3.21Å
530Q82.8Confident85.5Confident28 Ų2857.5 Ų57.513%0.13130%0.296CS..Hα-helixtrans-67.1-42.6178.5-178.968.9-13.100111.9E46 E526 D527 E528 D532 R533 V534E46-Q530 HydrophobicContact CB-CG 4.07Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.49Å; E46-Q530 PolarHBondContact OE2-NE2 3Å; E526-Q530 WeakPolarHBondContact O-CB 3.28Å; E526-Q530 PolarHBondContact O-N 2.78Å; D527-Q530 PolarHBondContact O-N 2.94Å; E528-Q530 VanDerWaalsContact C-N 3.26Å; E528-Q530 PolarHBondContact O-N 3.25Å; Q530-D532 VanDerWaalsContact C-N 3.34Å; Q530-D532 PolarHBondContact O-N 3.48Å; Q530-R533 WeakPolarHBondContact O-CB 3.46Å; Q530-R533 PolarHBondContact O-N 2.92Å; Q530-V534 WeakPolarHBondContact O-CG2 3.46Å; Q530-V534 PolarHBondContact O-N 3.36Å
531R82.3Confident86.1Confident130 Ų13059.9 Ų59.949%0.49130%0.304SS..Hα-helixtrans-58.4-46.7174.4-172.4-174.6-57.2165.52.6111.3E127 D527 E528 R533 V534 S535E127-R531 IonicContact OE1-CZ 2.88Å; E127-R531 IonicContact OE1-NH2 3.56Å; E127-R531 PolarHBondContact OE1-NH2 3.48Å; E127-R531 IonicContact OE2-NH2 3.05Å; D527-R531 WeakPolarHBondContact O-CB 3.37Å; D527-R531 PolarHBondContact O-N 3.33Å; E528-R531 WeakPolarHBondContact O-CB 3.38Å; E528-R531 PolarHBondContact O-N 3.43Å; R531-R533 PolarHBondContact O-N 2.8Å; R531-V534 PolarHBondContact O-N 3.39Å; R531-S535 WeakPolarHBondContact O-CB 3.06Å; R531-S535 PolarHBondContact O-N 3.3Å
532D88.5Confident86.5Confident75 Ų7558.6 Ų58.640%0.40130%0.303SS..Hα-helixtrans-60.3-43.1176.1-92.518.5000112.4E528 K529 Q530 S535 A536 K586E528-D532 WeakPolarHBondContact O-CB 3.44Å; E528-D532 PolarHBondContact O-N 2.86Å; K529-D532 PolarHBondContact O-N 2.99Å; Q530-D532 VanDerWaalsContact C-N 3.34Å; Q530-D532 PolarHBondContact O-N 3.48Å; D532-S535 PolarHBondContact O-N 3.37Å; D532-A536 WeakPolarHBondContact O-CB 3.49Å; D532-A536 PolarHBondContact O-N 3.36Å; D532-K586 HydrophobicContact CB-CD 4.14Å; D532-K586 IonicContact OD2-NZ 3.64Å; D532-K586 PolarHBondContact OD2-NZ 3.36Å
533R90.3Very high86.8Confident30 Ų3055.7 Ų55.711%0.11329%0.289CS..Hα-helixtrans-61.7-46.8176.6-175.5-167.776.4773111.6K529 Q530 R531 S535 A536 K537 Q582 A584 K586 Y589K529-R533 WeakPolarHBondContact O-CB 3.16Å; K529-R533 PolarHBondContact O-N 3.48Å; Q530-R533 WeakPolarHBondContact O-CB 3.46Å; Q530-R533 PolarHBondContact O-N 2.92Å; R531-R533 PolarHBondContact O-N 2.8Å; R533-S535 VanDerWaalsContact C-N 3.34Å; R533-A536 PolarHBondContact O-N 3.19Å; R533-K537 PolarHBondContact O-N 2.98Å; R533-Q582 PolarHBondContact NH1-O 3.06Å; R533-Q582 VanDerWaalsContact NH1-O 3.11Å; R533-A584 WeakPolarHBondContact CD-O 3.45Å; R533-A584 VanDerWaalsContact CG-O 3.3Å; R533-A584 WeakPolarHBondContact CG-O 3.31Å; R533-A584 PolarHBondContact NH1-O 3.23Å; R533-K586 HydrophobicContact CB-CB 4.5Å; R533-Y589 HydrophobicContact CG-CD2 4.25Å; R533-Y589 HydrophobicContact CG-CE2 3.92Å
534V84.6Confident87.2Confident51 Ų5154.8 Ų54.831%0.30929%0.285SS..Hα-helixtrans-64.4-40.2177.11730000110.9Q530 R531 K537 N538Q530-V534 WeakPolarHBondContact O-CG2 3.46Å; Q530-V534 PolarHBondContact O-N 3.36Å; R531-V534 PolarHBondContact O-N 3.39Å; V534-K537 WeakPolarHBondContact O-CB 3.3Å; V534-K537 PolarHBondContact O-N 3.31Å; V534-N538 WeakPolarHBondContact O-CB 3.49Å; V534-N538 PolarHBondContact O-N 3.24Å; V534-N538 PolarHBondContact O-OD1 2.64Å
535S87.1Confident87.7Confident74 Ų7457.5 Ų57.552%0.51730%0.295SS..Hα-helixtrans-61.1-44.8174.9-174.10000112.2R531 D532 R533 K537 N538 S539R531-S535 WeakPolarHBondContact O-CB 3.06Å; R531-S535 PolarHBondContact O-N 3.3Å; D532-S535 PolarHBondContact O-N 3.37Å; R533-S535 VanDerWaalsContact C-N 3.34Å; S535-K537 PolarHBondContact O-N 3.36Å; S535-N538 PolarHBondContact O-N 2.82Å; S535-S539 WeakPolarHBondContact O-CB 3.46Å; S535-S539 PolarHBondContact O-N 2.76Å
536A89.7Confident87.9Confident11 Ų1158.1 Ų58.19%0.09129%0.292CS..Hα-helixtrans-62.1-42.8175.900000112.2D532 R533 S539 L540 K586 E590D532-A536 WeakPolarHBondContact O-CB 3.49Å; D532-A536 PolarHBondContact O-N 3.36Å; R533-A536 PolarHBondContact O-N 3.19Å; A536-S539 PolarHBondContact O-N 3.05Å; A536-L540 PolarHBondContact O-N 3.11Å; A536-K586 HydrophobicContact CB-CG 4.01Å; A536-E590 HydrophobicContact CB-CG 4.23Å
537K90.8Very high88.2Confident33 Ų3356.1 Ų56.114%0.14328%0.283CS..Hα-helixtrans-59-50.8173.8-175.2-169.4172.4-1610111.7R533 V534 S535 S539 L540 E541 L578 Y589R533-K537 PolarHBondContact O-N 2.98Å; V534-K537 WeakPolarHBondContact O-CB 3.3Å; V534-K537 PolarHBondContact O-N 3.31Å; S535-K537 PolarHBondContact O-N 3.36Å; K537-S539 VanDerWaalsContact C-N 3.28Å; K537-S539 PolarHBondContact O-N 2.88Å; K537-L540 WeakPolarHBondContact O-CB 3.45Å; K537-L540 PolarHBondContact O-N 3.33Å; K537-E541 WeakPolarHBondContact O-CB 3.49Å; K537-E541 PolarHBondContact O-N 2.91Å; K537-L578 HydrophobicContact CG-CD2 3.92Å; K537-Y589 HydrophobicContact CB-CD1 4.16Å; K537-Y589 HydrophobicContact CB-CD2 3.85Å; K537-Y589 HydrophobicContact CB-CE1 4.07Å; K537-Y589 HydrophobicContact CB-CE2 3.69Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.43Å; K537-Y589 HydrophobicContact CG-CD1 4.23Å; K537-Y589 HydrophobicContact CG-CE1 3.81Å; K537-Y589 HydrophobicContact CG-CE2 4.19Å
538N87.6Confident88.6Confident76 Ų7656.8 Ų56.841%0.40629%0.285SS..Hα-helixtrans-63.7-35.9-179.6-68.2-6.2000111.5V534 S535 S542V534-N538 WeakPolarHBondContact O-CB 3.49Å; V534-N538 PolarHBondContact O-N 3.24Å; V534-N538 PolarHBondContact O-OD1 2.64Å; S535-N538 PolarHBondContact O-N 2.82Å; N538-S542 VanDerWaalsContact O-CB 3.24Å; N538-S542 WeakPolarHBondContact O-CB 3.49Å; N538-S542 PolarHBondContact O-N 3.4Å; N538-S542 PolarHBondContact O-OG 3.34Å
539S89.6Confident88.9Confident45 Ų4559.8 Ų59.832%0.31530%0.299SS..Hα-helixtrans-63.4-45.1174.4178.90000111.6S535 A536 K537 Y543 R593S535-S539 WeakPolarHBondContact O-CB 3.46Å; S535-S539 PolarHBondContact O-N 2.76Å; A536-S539 PolarHBondContact O-N 3.05Å; K537-S539 VanDerWaalsContact C-N 3.28Å; K537-S539 PolarHBondContact O-N 2.88Å; S539-Y543 WeakPolarHBondContact O-CB 3.42Å; S539-Y543 PolarHBondContact O-N 2.87Å; S539-R593 PolarHBondContact OG-NH1 3.01Å; S539-R593 VanDerWaalsContact OG-NH1 3.13Å
540L92.9Very high89Confident0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-60.8-51.7174.7174.559.3000111.2A536 K537 S542 Y543 V544 T574 W577 L578 Y589 K592 R593A536-L540 PolarHBondContact O-N 3.11Å; K537-L540 WeakPolarHBondContact O-CB 3.45Å; K537-L540 PolarHBondContact O-N 3.33Å; L540-S542 PolarHBondContact O-N 2.92Å; L540-Y543 PolarHBondContact O-N 3.35Å; L540-V544 HydrophobicContact CD1-CG2 4.11Å; L540-V544 HydrophobicContact CG-CG2 4.48Å; L540-V544 WeakPolarHBondContact O-CG2 3.32Å; L540-V544 PolarHBondContact O-N 2.85Å; L540-T574 HydrophobicContact CD1-CG2 3.8Å; L540-T574 HydrophobicContact CD2-CG2 4.29Å; L540-T574 HydrophobicContact CG-CG2 4.2Å; L540-W577 HydrophobicContact CD2-CZ3 4.3Å; L540-L578 HydrophobicContact CD2-CD1 4.35Å; L540-L578 HydrophobicContact CD2-CD2 3.92Å; L540-L578 HydrophobicContact CD2-CG 4.11Å; L540-L578 HydrophobicContact CG-CD1 4.19Å; L540-L578 HydrophobicContact CG-CD2 4.44Å; L540-L578 HydrophobicContact CG-CG 4.48Å; L540-Y589 HydrophobicContact CD2-CD1 4.1Å; L540-K592 HydrophobicContact CD2-CB 3.85Å; L540-K592 HydrophobicContact CD2-CG 4.14Å; L540-R593 HydrophobicContact CD1-CB 3.8Å; L540-R593 HydrophobicContact CD1-CG 4Å
541E89.6Confident89.3Confident69 Ų6956.1 Ų56.132%0.32228%0.284SS..Hα-helixtrans-58.5-47.6-179.5-171.6171.5-170.700111.5K537 Y543 V544 Y545 L578K537-E541 WeakPolarHBondContact O-CB 3.49Å; K537-E541 PolarHBondContact O-N 2.91Å; E541-Y543 VanDerWaalsContact C-N 3.33Å; E541-Y543 PolarHBondContact O-N 3.48Å; E541-V544 PolarHBondContact O-N 3.39Å; E541-Y545 HydrophobicContact CG-CD2 3.89Å; E541-Y545 HydrophobicContact CG-CE2 3.68Å; E541-Y545 VanDerWaalsContact O-CD2 3.23Å; E541-Y545 WeakPolarHBondContact O-CD2 3.49Å; E541-Y545 PolarHBondContact O-N 3.47Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.33Å
542S91.1Very high89.5Confident71 Ų7154.4 Ų54.450%0.49728%0.281SS..Hα-helixtrans-60.9-41177-60.40000112.3N538 L540 T546N538-S542 VanDerWaalsContact O-CB 3.24Å; N538-S542 WeakPolarHBondContact O-CB 3.49Å; N538-S542 PolarHBondContact O-N 3.4Å; N538-S542 PolarHBondContact O-OG 3.34Å; L540-S542 PolarHBondContact O-N 2.92Å; S542-T546 VanDerWaalsContact O-CB 3.29Å; S542-T546 WeakPolarHBondContact O-CB 3.39Å; S542-T546 PolarHBondContact O-N 3.01Å; S542-T546 PolarHBondContact O-OG1 3.3Å
543Y91.7Very high89.5Confident55 Ų5553 Ų5322%0.21628%0.284CS..Hα-helixtrans-64.6-43.9178-176.4-106.8000111.4S539 L540 E541 T546 M547 R593 L596 E597S539-Y543 WeakPolarHBondContact O-CB 3.42Å; S539-Y543 PolarHBondContact O-N 2.87Å; L540-Y543 PolarHBondContact O-N 3.35Å; E541-Y543 VanDerWaalsContact C-N 3.33Å; E541-Y543 PolarHBondContact O-N 3.48Å; Y543-T546 PolarHBondContact O-N 3.23Å; Y543-M547 HydrophobicContact CE1-CE 4.39Å; Y543-M547 HydrophobicContact CE2-CE 3.88Å; Y543-M547 VanDerWaalsContact O-CB 3.29Å; Y543-M547 WeakPolarHBondContact O-CB 3.38Å; Y543-M547 PolarHBondContact O-N 3.37Å; Y543-M547 WeakPolarHBondContact OH-CE 3.19Å; Y543-R593 HydrophobicContact CD1-CG 4.32Å; Y543-L596 HydrophobicContact CD1-CD2 3.73Å; Y543-L596 HydrophobicContact CD1-CG 4.16Å; Y543-L596 HydrophobicContact CE1-CB 4.45Å; Y543-L596 HydrophobicContact CE1-CD2 3.98Å; Y543-L596 HydrophobicContact CE1-CG 3.89Å; Y543-E597 HydrophobicContact CD1-CG 4.38Å; Y543-E597 HydrophobicContact CE1-CG 3.59Å; Y543-E597 HydrophobicContact CE2-CG 4.31Å; Y543-E597 WeakPolarHBondContact OH-CG 3.26Å
544V92.8Very high89.1Confident0 Ų058.9 Ų58.90%031%0.313CS..Hα-helixtrans-59.1-50.3177.8176.60000111.2L540 E541 M547 K548 C571 T574 I575 L596L540-V544 HydrophobicContact CD1-CG2 4.11Å; L540-V544 HydrophobicContact CG-CG2 4.48Å; L540-V544 WeakPolarHBondContact O-CG2 3.32Å; L540-V544 PolarHBondContact O-N 2.85Å; E541-V544 PolarHBondContact O-N 3.39Å; V544-M547 PolarHBondContact O-N 3.22Å; V544-K548 WeakPolarHBondContact O-CB 3.05Å; V544-K548 PolarHBondContact O-N 2.91Å; V544-C571 HydrophobicContact CG1-CB 3.87Å; V544-T574 HydrophobicContact CG2-CG2 3.52Å; V544-I575 HydrophobicContact CG1-CD1 3.92Å; V544-I575 HydrophobicContact CG1-CG1 3.62Å; V544-L596 HydrophobicContact CB-CD2 4.23Å; V544-L596 HydrophobicContact CG2-CD2 3.38Å
545Y90.4Very high89.1Confident127 Ų12756.8 Ų56.850%0.49830%0.3SS..Hα-helixtrans-67-41.1-179.5-78.3-67.5000112.6E541 M547 K548 Q549 I575E541-Y545 HydrophobicContact CG-CD2 3.89Å; E541-Y545 HydrophobicContact CG-CE2 3.68Å; E541-Y545 VanDerWaalsContact O-CD2 3.23Å; E541-Y545 WeakPolarHBondContact O-CD2 3.49Å; E541-Y545 PolarHBondContact O-N 3.47Å; Y545-M547 VanDerWaalsContact C-N 3.31Å; Y545-M547 PolarHBondContact O-N 3.44Å; Y545-K548 PolarHBondContact O-N 3.35Å; Y545-Q549 WeakPolarHBondContact O-CB 3.36Å; Y545-Q549 PolarHBondContact O-N 3.45Å; Y545-I575 HydrophobicContact CE1-CD1 4.37Å
546T90.2Very high89.1Confident67 Ų6758.4 Ų58.441%0.41130%0.298SS..Hα-helixtrans-60.2-45.1176.2-59.30000110.6S542 Y543 Q549 Q550S542-T546 VanDerWaalsContact O-CB 3.29Å; S542-T546 WeakPolarHBondContact O-CB 3.39Å; S542-T546 PolarHBondContact O-N 3.01Å; S542-T546 PolarHBondContact O-OG1 3.3Å; Y543-T546 PolarHBondContact O-N 3.23Å; T546-Q549 PolarHBondContact O-N 2.93Å; T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 WeakPolarHBondContact O-CG 3.03Å; T546-Q550 PolarHBondContact O-N 3Å
547M90.2Very high88.9Confident10 Ų1067 Ų675%0.04934%0.336CS..Hα-helixtrans-64-46.5179.5-168.358.957.300111.3Y543 V544 Y545 Q549 Q550 V551 I567 C600 I604Y543-M547 HydrophobicContact CE1-CE 4.39Å; Y543-M547 HydrophobicContact CE2-CE 3.88Å; Y543-M547 VanDerWaalsContact O-CB 3.29Å; Y543-M547 WeakPolarHBondContact O-CB 3.38Å; Y543-M547 PolarHBondContact O-N 3.37Å; Y543-M547 WeakPolarHBondContact OH-CE 3.19Å; V544-M547 PolarHBondContact O-N 3.22Å; Y545-M547 VanDerWaalsContact C-N 3.31Å; Y545-M547 PolarHBondContact O-N 3.44Å; M547-Q549 VanDerWaalsContact C-N 3.33Å; M547-Q549 PolarHBondContact O-N 3.41Å; M547-Q550 PolarHBondContact O-N 3.26Å; M547-V551 WeakPolarHBondContact O-CG2 3.32Å; M547-V551 PolarHBondContact O-N 3.2Å; M547-V551 HydrophobicContact SD-CG1 4.42Å; M547-I567 HydrophobicContact CG-CG2 3.65Å; M547-I567 HydrophobicContact SD-CG2 4.45Å; M547-C600 HydrophobicContact CE-CB 3.95Å; M547-C600 HydrophobicContact CG-CB 4.16Å; M547-C600 HydrophobicContact SD-CB 3.95Å; M547-I604 HydrophobicContact CE-CG1 4.4Å; M547-I604 HydrophobicContact SD-CD1 3.72Å; M547-I604 HydrophobicContact SD-CG1 3.89Å
548K88.5Confident88.6Confident42 Ų4272.3 Ų72.318%0.18336%0.359CS..Hα-helixtrans-58.2-45.4176.6-166170.8-175.2165.70111.2V544 Y545 V551 E552 E572V544-K548 WeakPolarHBondContact O-CB 3.05Å; V544-K548 PolarHBondContact O-N 2.91Å; Y545-K548 PolarHBondContact O-N 3.35Å; K548-V551 WeakPolarHBondContact O-CG2 3.38Å; K548-V551 PolarHBondContact O-N 3.36Å; K548-E552 WeakPolarHBondContact CE-OE1 3.46Å; K548-E552 WeakPolarHBondContact O-CB 3.49Å; K548-E552 WeakPolarHBondContact O-CG 3.42Å; K548-E552 PolarHBondContact O-N 3.49Å; K548-E572 IonicContact NZ-OE1 2.71Å; K548-E572 PolarHBondContact NZ-OE1 3.48Å
549Q89.9Confident88.6Confident147 Ų14769 Ų6969%0.68734%0.341SS*.Hα-helixtrans-63.9-42177.5-171.2-179.412.900112.8Y545 T546 M547 G553Y545-Q549 WeakPolarHBondContact O-CB 3.36Å; Y545-Q549 PolarHBondContact O-N 3.45Å; T546-Q549 PolarHBondContact O-N 2.93Å; M547-Q549 VanDerWaalsContact C-N 3.33Å; M547-Q549 PolarHBondContact O-N 3.41Å; Q549-G553 WeakPolarHBondContact O-CA 3.35Å; Q549-G553 PolarHBondContact O-N 2.99Å
550Q88.7Confident88.6Confident66 Ų6670.2 Ų70.231%0.30835%0.348SS..Hα-helixtrans-63.3-44.3178.9-80.1-176.7-14.300112.2T546 M547 G553 E554 L555T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 WeakPolarHBondContact O-CG 3.03Å; T546-Q550 PolarHBondContact O-N 3Å; M547-Q550 PolarHBondContact O-N 3.26Å; Q550-G553 PolarHBondContact O-N 3.04Å; Q550-E554 PolarHBondContact O-N 2.87Å; Q550-L555 HydrophobicContact CB-CD1 4.11Å; Q550-L555 WeakPolarHBondContact O-CB 3.45Å; Q550-L555 PolarHBondContact O-N 2.91Å
551V89Confident88.4Confident0 Ų075 Ų750%037%0.37CS..Hα-helixtrans-75.5-28.6-177.6-58.70000113.1M547 K548 K556 I559 R564 I567 I568 I604M547-V551 WeakPolarHBondContact O-CG2 3.32Å; M547-V551 PolarHBondContact O-N 3.2Å; M547-V551 HydrophobicContact SD-CG1 4.42Å; K548-V551 WeakPolarHBondContact O-CG2 3.38Å; K548-V551 PolarHBondContact O-N 3.36Å; V551-K556 VanDerWaalsContact O-CA 3.26Å; V551-K556 WeakPolarHBondContact O-CA 3.36Å; V551-K556 WeakPolarHBondContact O-CB 3.24Å; V551-K556 PolarHBondContact O-N 3.38Å; V551-I559 HydrophobicContact CB-CD1 4.19Å; V551-I559 HydrophobicContact CG1-CD1 3.77Å; V551-R564 HydrophobicContact CB-CG 4.11Å; V551-R564 HydrophobicContact CG2-CG 4.4Å; V551-R564 VanDerWaalsContact O-CD 3.24Å; V551-R564 WeakPolarHBondContact O-CD 3.34Å; V551-I567 HydrophobicContact CG1-CB 4.32Å; V551-I567 HydrophobicContact CG1-CD1 3.78Å; V551-I567 HydrophobicContact CG1-CG2 3.83Å; V551-I567 HydrophobicContact CG2-CG2 4.05Å; V551-I568 HydrophobicContact CG2-CD1 4.41Å; V551-I568 HydrophobicContact CG2-CG1 3.85Å; V551-I604 HydrophobicContact CG1-CD1 4.37Å
552E87.1Confident88.5Confident94 Ų9475.4 Ų75.444%0.43938%0.381SS..Hα-helixtrans-85.3-15.8174.2-68.2179.2168.100113.3K548 K556 I568K548-E552 WeakPolarHBondContact CE-OE1 3.46Å; K548-E552 WeakPolarHBondContact O-CB 3.49Å; K548-E552 WeakPolarHBondContact O-CG 3.42Å; K548-E552 PolarHBondContact O-N 3.49Å; E552-K556 WeakPolarHBondContact O-CD 3.39Å; E552-I568 HydrophobicContact CG-CD1 3.96Å
553G86.9Confident88.5Confident44 Ų4474.3 Ų74.345%0.45437%0.369SS..THydrogen-bonded Turntrans-106-111.9179.300000113.3Q549 Q550 L555 K556Q549-G553 WeakPolarHBondContact O-CA 3.35Å; Q549-G553 PolarHBondContact O-N 2.99Å; Q550-G553 PolarHBondContact O-N 3.04Å; G553-L555 PolarHBondContact O-N 3.36Å; G553-L555 VanDerWaalsContact O-N 3.16Å; G553-K556 WeakPolarHBondContact O-CB 3.19Å; G553-K556 PolarHBondContact O-N 2.88Å; G553-K556 VanDerWaalsContact O-N 3.07Å
554E83Confident88.4Confident155 Ų15573.1 Ų73.172%0.72436%0.364SS*.THydrogen-bonded Turntrans-55.9-33.3-171.7-81.9-167.9142.100114.7Q550Q550-E554 PolarHBondContact O-N 2.87Å
555L84.7Confident88.4Confident7 Ų777.4 Ų77.44%0.03739%0.385CS..THydrogen-bonded Turntrans-93.6-3.7-175.9-55.1177.2000112.6Q550 G553 E557 K558 I559 I604 V607Q550-L555 HydrophobicContact CB-CD1 4.11Å; Q550-L555 WeakPolarHBondContact O-CB 3.45Å; Q550-L555 PolarHBondContact O-N 2.91Å; G553-L555 PolarHBondContact O-N 3.36Å; G553-L555 VanDerWaalsContact O-N 3.16Å; L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 2.86Å; L555-K558 HydrophobicContact CD2-CD 4.42Å; L555-K558 PolarHBondContact O-N 3.34Å; L555-I559 HydrophobicContact CB-CD1 3.33Å; L555-I559 HydrophobicContact CB-CG1 3.78Å; L555-I559 HydrophobicContact CD1-CD1 4.03Å; L555-I559 HydrophobicContact CG-CD1 4.3Å; L555-I559 VanDerWaalsContact O-CG1 3.28Å; L555-I559 WeakPolarHBondContact O-CG1 3.23Å; L555-I559 PolarHBondContact O-N 2.76Å; L555-I604 HydrophobicContact CD1-CD1 3.43Å; L555-I604 VanDerWaalsContact CD1-CD1 3.43Å; L555-V607 HydrophobicContact CD2-CG1 4.22Å
556K85.9Confident88.6Confident108 Ų10874.9 Ų74.947%0.4738%0.382SS..THydrogen-bonded Turntrans-55.1-40.6-174.1-175.6177.9178.9176.50113.5V551 E552 G553V551-K556 VanDerWaalsContact O-CA 3.26Å; V551-K556 WeakPolarHBondContact O-CA 3.36Å; V551-K556 WeakPolarHBondContact O-CB 3.24Å; V551-K556 PolarHBondContact O-N 3.38Å; E552-K556 WeakPolarHBondContact O-CD 3.39Å; G553-K556 WeakPolarHBondContact O-CB 3.19Å; G553-K556 PolarHBondContact O-N 2.88Å; G553-K556 VanDerWaalsContact O-N 3.07Å
557E85.9Confident88.7Confident191 Ų19171.7 Ų71.789%0.89336%0.362SS*.THydrogen-bonded Turntrans-91.5-11178.4-59.6-157.4168.700113.6L555L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 2.86Å
558K85Confident88.9Confident145 Ų14571.8 Ų71.863%0.6336%0.363SS*.THydrogen-bonded Turntrans-96.8-15.6-178-60.9-178.5-177.9173.30113.1L555 V607L555-K558 HydrophobicContact CD2-CD 4.42Å; L555-K558 PolarHBondContact O-N 3.34Å; K558-V607 HydrophobicContact CB-CG1 3.78Å
559I87Confident89.2Confident7 Ų772.8 Ų72.84%0.03638%0.375CS..SBendtrans-108.4135.4178.3-50.4165.7000108.9V551 L555 D563 I603 V607V551-I559 HydrophobicContact CB-CD1 4.19Å; V551-I559 HydrophobicContact CG1-CD1 3.77Å; L555-I559 HydrophobicContact CB-CD1 3.33Å; L555-I559 HydrophobicContact CB-CG1 3.78Å; L555-I559 HydrophobicContact CD1-CD1 4.03Å; L555-I559 HydrophobicContact CG-CD1 4.3Å; L555-I559 VanDerWaalsContact O-CG1 3.28Å; L555-I559 WeakPolarHBondContact O-CG1 3.23Å; L555-I559 PolarHBondContact O-N 2.76Å; I559-D563 HydrophobicContact CG2-CB 3.67Å; I559-I603 HydrophobicContact CG2-CG2 3.84Å; I559-V607 HydrophobicContact CB-CG2 4.29Å; I559-V607 HydrophobicContact CG1-CB 4.49Å; I559-V607 HydrophobicContact CG1-CG1 4.31Å; I559-V607 HydrophobicContact CG1-CG2 3.6Å; I559-V607 HydrophobicContact CG2-CG2 4.37Å
560P89.4Confident89.4Confident70 Ų7067.9 Ų67.946%0.45535%0.352SS..  trans-53.5141.8170.1-24.233.6000112.2S562 D563 R564P560-S562 PolarHBondContact O-N 3.47Å; P560-S562 VanDerWaalsContact O-N 3.15Å; P560-D563 HydrophobicContact CB-CB 4.46Å; P560-D563 PolarHBondContact O-N 3.15Å; P560-R564 PolarHBondContact O-N 3.17Å
561E89.5Confident89.7Confident100 Ų10064.8 Ų64.847%0.46734%0.337SS..Hα-helixtrans-50.7-42179.3-178.665.9-144.300112.7D563 R564 Q565E561-D563 PolarHBondContact O-N 2.83Å; E561-R564 VanDerWaalsContact CD-CZ 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 IonicContact OE1-CZ 3.38Å; E561-R564 IonicContact OE1-NH1 3.74Å; E561-R564 IonicContact OE1-NH2 3.68Å; E561-R564 PolarHBondContact OE1-NH2 3.38Å; E561-R564 IonicContact OE2-CZ 2.88Å; E561-R564 IonicContact OE2-NH1 3.93Å; E561-R564 PolarHBondContact OE2-NH1 3.31Å; E561-R564 IonicContact OE2-NH2 2.72Å; E561-R564 PolarHBondContact OE2-NH2 2.94Å; E561-Q565 WeakPolarHBondContact O-CG 3.29Å; E561-Q565 PolarHBondContact O-N 3.29Å; E561-Q565 PolarHBondContact OE1-NE2 2.9Å; E561-Q565 VanDerWaalsContact OE1-NE2 3.08Å
562S91.3Very high90Very high77 Ų7769 Ų6954%0.53836%0.357SS..Hα-helixtrans-60-46.9179.255.50000112.1P560 R564 Q565 V566P560-S562 PolarHBondContact O-N 3.47Å; P560-S562 VanDerWaalsContact O-N 3.15Å; S562-R564 VanDerWaalsContact C-N 3.34Å; S562-Q565 PolarHBondContact O-N 2.93Å; S562-V566 WeakPolarHBondContact O-CG2 3.2Å; S562-V566 PolarHBondContact O-N 3.35Å; S562-V566 VanDerWaalsContact O-N 3.16Å
563D91Very high90.4Very high49 Ų4968.7 Ų68.726%0.26236%0.358SS..Hα-helixtrans-71-35.7-178.4-72.25.3000110.4I559 P560 E561 V566 I567 I603I559-D563 HydrophobicContact CG2-CB 3.67Å; P560-D563 HydrophobicContact CB-CB 4.46Å; P560-D563 PolarHBondContact O-N 3.15Å; E561-D563 PolarHBondContact O-N 2.83Å; D563-V566 PolarHBondContact O-N 2.84Å; D563-I567 PolarHBondContact O-N 3.38Å; D563-I603 HydrophobicContact CB-CD1 4.27Å; D563-I603 HydrophobicContact CB-CG1 4.49Å; D563-I603 HydrophobicContact CB-CG2 3.79Å
564R90.9Very high90.8Very high30 Ų3066.6 Ų66.611%0.11334%0.336CS..Hα-helixtrans-60.2-46.4173.5-164.2178.975.9-125.83.1111.4V551 P560 E561 S562 V566 I567 I568V551-R564 HydrophobicContact CB-CG 4.11Å; V551-R564 HydrophobicContact CG2-CG 4.4Å; V551-R564 VanDerWaalsContact O-CD 3.24Å; V551-R564 WeakPolarHBondContact O-CD 3.34Å; P560-R564 PolarHBondContact O-N 3.17Å; E561-R564 VanDerWaalsContact CD-CZ 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 IonicContact OE1-CZ 3.38Å; E561-R564 IonicContact OE1-NH1 3.74Å; E561-R564 IonicContact OE1-NH2 3.68Å; E561-R564 PolarHBondContact OE1-NH2 3.38Å; E561-R564 IonicContact OE2-CZ 2.88Å; E561-R564 IonicContact OE2-NH1 3.93Å; E561-R564 PolarHBondContact OE2-NH1 3.31Å; E561-R564 IonicContact OE2-NH2 2.72Å; E561-R564 PolarHBondContact OE2-NH2 2.94Å; S562-R564 VanDerWaalsContact C-N 3.34Å; R564-V566 VanDerWaalsContact C-N 3.32Å; R564-V566 PolarHBondContact O-N 2.88Å; R564-I567 PolarHBondContact O-N 3.44Å; R564-I568 HydrophobicContact CG-CD1 4.03Å; R564-I568 WeakPolarHBondContact O-CG1 3.39Å; R564-I568 PolarHBondContact O-N 3.05Å
565Q92.6Very high91.2Very high90 Ų9060.6 Ų60.642%0.42131%0.309SS..Hα-helixtrans-67.3-32.6179.6-70.1-56.5-500113.5E561 S562 I567 I568 S569E561-Q565 WeakPolarHBondContact O-CG 3.29Å; E561-Q565 PolarHBondContact O-N 3.29Å; E561-Q565 PolarHBondContact OE1-NE2 2.9Å; E561-Q565 VanDerWaalsContact OE1-NE2 3.08Å; S562-Q565 PolarHBondContact O-N 2.93Å; Q565-I567 VanDerWaalsContact C-N 3.33Å; Q565-I567 PolarHBondContact O-N 2.86Å; Q565-I568 PolarHBondContact O-N 2.92Å; Q565-S569 VanDerWaalsContact O-CB 3.26Å; Q565-S569 WeakPolarHBondContact O-CB 3.47Å; Q565-S569 PolarHBondContact O-N 3.12Å
566V93.6Very high91.7Very high73 Ų7363.7 Ų63.744%0.44233%0.331SS..Hα-helixtrans-60.9-44.2172.6170.90000110.9S562 D563 R564 K570 V599 I603S562-V566 WeakPolarHBondContact O-CG2 3.2Å; S562-V566 PolarHBondContact O-N 3.35Å; S562-V566 VanDerWaalsContact O-N 3.16Å; D563-V566 PolarHBondContact O-N 2.84Å; R564-V566 VanDerWaalsContact C-N 3.32Å; R564-V566 PolarHBondContact O-N 2.88Å; V566-K570 WeakPolarHBondContact O-CB 3.48Å; V566-K570 PolarHBondContact O-N 3.26Å; V566-K570 VanDerWaalsContact O-N 3.09Å; V566-V599 HydrophobicContact CG1-CG1 3.7Å; V566-I603 HydrophobicContact CG1-CD1 4.32Å
567I93.4Very high92.2Very high0 Ų060.8 Ų60.80%032%0.317CS..Hα-helixtrans-65.3-48.5177.7-66.6173.7000111.1M547 V551 D563 R564 Q565 S569 K570 C571 I603M547-I567 HydrophobicContact CG-CG2 3.65Å; M547-I567 HydrophobicContact SD-CG2 4.45Å; V551-I567 HydrophobicContact CG1-CB 4.32Å; V551-I567 HydrophobicContact CG1-CD1 3.78Å; V551-I567 HydrophobicContact CG1-CG2 3.83Å; V551-I567 HydrophobicContact CG2-CG2 4.05Å; D563-I567 PolarHBondContact O-N 3.38Å; R564-I567 PolarHBondContact O-N 3.44Å; Q565-I567 VanDerWaalsContact C-N 3.33Å; Q565-I567 PolarHBondContact O-N 2.86Å; I567-S569 PolarHBondContact O-N 2.79Å; I567-K570 PolarHBondContact O-N 2.97Å; I567-C571 WeakPolarHBondContact O-CB 3.44Å; I567-C571 PolarHBondContact O-N 3.39Å; I567-C571 PolarHBondContact O-SG 3.01Å; I567-I603 HydrophobicContact CD1-CB 4Å; I567-I603 HydrophobicContact CD1-CD1 4.07Å; I567-I603 HydrophobicContact CD1-CG2 3.69Å; I567-I603 HydrophobicContact CG1-CD1 3.81Å
568I93Very high92.5Very high13 Ų1352 Ų527%0.06728%0.277CS..Hα-helixtrans-60.5-47.8-178.2-68.5171.3000110.4V551 E552 R564 Q565 K570 C571 E572V551-I568 HydrophobicContact CG2-CD1 4.41Å; V551-I568 HydrophobicContact CG2-CG1 3.85Å; E552-I568 HydrophobicContact CG-CD1 3.96Å; R564-I568 HydrophobicContact CG-CD1 4.03Å; R564-I568 WeakPolarHBondContact O-CG1 3.39Å; R564-I568 PolarHBondContact O-N 3.05Å; Q565-I568 PolarHBondContact O-N 2.92Å; I568-K570 VanDerWaalsContact C-N 3.33Å; I568-K570 PolarHBondContact O-N 3.45Å; I568-C571 WeakPolarHBondContact O-CB 3.35Å; I568-C571 PolarHBondContact O-N 3.2Å; I568-C571 VanDerWaalsContact O-N 3.16Å; I568-E572 HydrophobicContact CG2-CG 4.46Å; I568-E572 WeakPolarHBondContact O-CG 3.41Å; I568-E572 PolarHBondContact O-N 2.96Å
569S94.9Very high92.7Very high62 Ų6250.3 Ų50.343%0.43428%0.275SS..Hα-helixtrans-58.7-44.3177.7-179.30000111.6Q565 I567 C571 E572 D573Q565-S569 VanDerWaalsContact O-CB 3.26Å; Q565-S569 WeakPolarHBondContact O-CB 3.47Å; Q565-S569 PolarHBondContact O-N 3.12Å; I567-S569 PolarHBondContact O-N 2.79Å; S569-C571 VanDerWaalsContact C-N 3.33Å; S569-C571 PolarHBondContact O-N 3.13Å; S569-E572 PolarHBondContact O-N 3.06Å; S569-D573 VanDerWaalsContact O-CG 3.29Å; S569-D573 PolarHBondContact O-N 3.15Å
570K95.6Very high93Very high45 Ų4555.4 Ų55.420%0.19631%0.306CS..Hα-helixtrans-68.3-33.5178.8-168.365.2-178.6177.10112.4V566 I567 I568 T574 E595 L596 V599V566-K570 WeakPolarHBondContact O-CB 3.48Å; V566-K570 PolarHBondContact O-N 3.26Å; V566-K570 VanDerWaalsContact O-N 3.09Å; I567-K570 PolarHBondContact O-N 2.97Å; I568-K570 VanDerWaalsContact C-N 3.33Å; I568-K570 PolarHBondContact O-N 3.45Å; K570-T574 WeakPolarHBondContact O-CB 3.49Å; K570-T574 PolarHBondContact O-N 3.4Å; K570-T574 PolarHBondContact O-OG1 3.46Å; K570-E595 IonicContact NZ-OE2 3.96Å; K570-L596 HydrophobicContact CB-CD1 4.04Å; K570-L596 HydrophobicContact CG-CD1 3.57Å; K570-V599 HydrophobicContact CB-CG1 4.37Å; K570-V599 HydrophobicContact CD-CG2 4.42Å; K570-V599 HydrophobicContact CG-CB 4.31Å; K570-V599 HydrophobicContact CG-CG1 4.41Å; K570-V599 HydrophobicContact CG-CG2 4.21Å
571C94.6Very high93Very high0 Ų055.4 Ų55.40%030%0.299CS..Hα-helixtrans-64.1-46.2172.3-68.90000110.8V544 I567 I568 S569 T574 I575V544-C571 HydrophobicContact CG1-CB 3.87Å; I567-C571 WeakPolarHBondContact O-CB 3.44Å; I567-C571 PolarHBondContact O-N 3.39Å; I567-C571 PolarHBondContact O-SG 3.01Å; I568-C571 WeakPolarHBondContact O-CB 3.35Å; I568-C571 PolarHBondContact O-N 3.2Å; I568-C571 VanDerWaalsContact O-N 3.16Å; S569-C571 VanDerWaalsContact C-N 3.33Å; S569-C571 PolarHBondContact O-N 3.13Å; C571-T574 PolarHBondContact O-N 2.9Å; C571-T574 VanDerWaalsContact O-N 3.12Å; C571-I575 WeakPolarHBondContact O-CG1 3.48Å; C571-I575 PolarHBondContact O-N 2.85Å
572E94.3Very high92.7Very high88 Ų8854.9 Ų54.941%0.41130%0.297SS..Hα-helixtrans-65.1-38.5178.7-71.3179.9168.600112.9K548 I568 S569 T574 I575 S576K548-E572 IonicContact NZ-OE1 2.71Å; K548-E572 PolarHBondContact NZ-OE1 3.48Å; I568-E572 HydrophobicContact CG2-CG 4.46Å; I568-E572 WeakPolarHBondContact O-CG 3.41Å; I568-E572 PolarHBondContact O-N 2.96Å; S569-E572 PolarHBondContact O-N 3.06Å; E572-T574 VanDerWaalsContact C-N 3.28Å; E572-T574 PolarHBondContact O-N 2.74Å; E572-I575 PolarHBondContact O-N 3.5Å; E572-S576 WeakPolarHBondContact O-CB 3.37Å; E572-S576 PolarHBondContact O-N 3.45Å; E572-S576 PolarHBondContact O-OG 2.72Å
573D95.6Very high92.4Very high88 Ų8856.2 Ų56.247%0.47131%0.307SS..Hα-helixtrans-60.9-40171.2-72.7-11.9000111.4S569 W577S569-D573 VanDerWaalsContact O-CG 3.29Å; S569-D573 PolarHBondContact O-N 3.15Å; D573-W577 VanDerWaalsContact O-CB 3.32Å; D573-W577 WeakPolarHBondContact O-CB 3.48Å; D573-W577 PolarHBondContact O-N 2.9Å
574T95.2Very high92.2Very high0 Ų054.2 Ų54.20%030%0.296CS..Hα-helixtrans-71.9-38.1180-54.20000111.6L540 V544 K570 C571 E572 W577 L578 K592 L596L540-T574 HydrophobicContact CD1-CG2 3.8Å; L540-T574 HydrophobicContact CD2-CG2 4.29Å; L540-T574 HydrophobicContact CG-CG2 4.2Å; V544-T574 HydrophobicContact CG2-CG2 3.52Å; K570-T574 WeakPolarHBondContact O-CB 3.49Å; K570-T574 PolarHBondContact O-N 3.4Å; K570-T574 PolarHBondContact O-OG1 3.46Å; C571-T574 PolarHBondContact O-N 2.9Å; C571-T574 VanDerWaalsContact O-N 3.12Å; E572-T574 VanDerWaalsContact C-N 3.28Å; E572-T574 PolarHBondContact O-N 2.74Å; T574-W577 PolarHBondContact O-N 3.16Å; T574-L578 WeakPolarHBondContact O-CB 3.39Å; T574-L578 PolarHBondContact O-N 2.83Å; T574-K592 HydrophobicContact CG2-CG 4.09Å; T574-L596 HydrophobicContact CG2-CD2 4.35Å
575I92.9Very high92.3Very high30 Ų3056.3 Ų56.315%0.15431%0.307CS..Hα-helixtrans-61.8-50.5172.1-68.1166.3000109.7V544 Y545 C571 E572 W577 L578 D579V544-I575 HydrophobicContact CG1-CD1 3.92Å; V544-I575 HydrophobicContact CG1-CG1 3.62Å; Y545-I575 HydrophobicContact CE1-CD1 4.37Å; C571-I575 WeakPolarHBondContact O-CG1 3.48Å; C571-I575 PolarHBondContact O-N 2.85Å; E572-I575 PolarHBondContact O-N 3.5Å; I575-W577 PolarHBondContact O-N 2.92Å; I575-L578 WeakPolarHBondContact O-CB 3.29Å; I575-L578 PolarHBondContact O-N 3.27Å; I575-D579 PolarHBondContact O-N 2.9Å
576S94.5Very high92.2Very high71 Ų7155.4 Ų55.450%0.49730%0.302SS..Hα-helixtrans-58.2-40.1178.2-57.50000110.9E572 D579 V580E572-S576 WeakPolarHBondContact O-CB 3.37Å; E572-S576 PolarHBondContact O-N 3.45Å; E572-S576 PolarHBondContact O-OG 2.72Å; S576-D579 PolarHBondContact O-N 3.17Å; S576-V580 WeakPolarHBondContact O-CG2 3.39Å; S576-V580 PolarHBondContact O-N 3.39Å
577W96Very high92.3Very high47 Ų4757.9 Ų57.918%0.17831%0.309CS..Hα-helixtrans-64.9-44.4175-174.589.7000112.2L540 D573 T574 I575 D579 V580 H581 A584 E588 Y589 K592L540-W577 HydrophobicContact CD2-CZ3 4.3Å; D573-W577 VanDerWaalsContact O-CB 3.32Å; D573-W577 WeakPolarHBondContact O-CB 3.48Å; D573-W577 PolarHBondContact O-N 2.9Å; T574-W577 PolarHBondContact O-N 3.16Å; I575-W577 PolarHBondContact O-N 2.92Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.96Å; W577-V580 PolarHBondContact O-N 2.91Å; W577-H581 AromaticContact CD1-CE1 3.52Å; W577-H581 AromaticContact CD1-ND1 3.5Å; W577-H581 HydrophobicContact CD2-CB 4.11Å; W577-H581 AromaticContact CD2-ND1 3.79Å; W577-H581 AromaticContact CE2-CD2 3.93Å; W577-H581 AromaticContact CE2-CG 3.54Å; W577-H581 AromaticContact CE2-ND1 3.59Å; W577-H581 HydrophobicContact CE3-CB 4.15Å; W577-H581 AromaticContact CG-ND1 3.75Å; W577-H581 HydrophobicContact CH2-CB 3.82Å; W577-H581 HydrophobicContact CZ2-CB 3.76Å; W577-H581 AromaticContact CZ2-CD2 3.93Å; W577-H581 AromaticContact CZ2-CG 3.71Å; W577-H581 HydrophobicContact CZ3-CB 4.01Å; W577-H581 AromaticContact NE1-CD2 3.85Å; W577-H581 AromaticContact NE1-CE1 3.37Å; W577-H581 PolarHBondContact NE1-CE1 2.91Å; W577-H581 AromaticContact NE1-CG 3.71Å; W577-H581 AromaticContact NE1-ND1 3.39Å; W577-H581 PolarHBondContact NE1-ND1 3.45Å; W577-H581 AromaticContact NE1-NE2 3.65Å; W577-H581 WeakPolarHBondContact O-CB 3.46Å; W577-H581 PolarHBondContact O-N 3.38Å; W577-H581 PolarHBondContact O-ND1 3.36Å; W577-A584 HydrophobicContact CH2-CB 3.86Å; W577-A584 HydrophobicContact CZ2-CB 4.4Å; W577-E588 HydrophobicContact CH2-CB 4.25Å; W577-E588 HydrophobicContact CZ2-CB 4.49Å; W577-Y589 HydrophobicContact CH2-CD1 4Å; W577-Y589 HydrophobicContact CH2-CE1 4.08Å; W577-Y589 AromaticContact CZ3-CD1 3.65Å; W577-Y589 HydrophobicContact CZ3-CD1 3.65Å; W577-Y589 AromaticContact CZ3-CE1 3.73Å; W577-Y589 HydrophobicContact CZ3-CE1 3.73Å; W577-K592 HydrophobicContact CD2-CD 4.08Å; W577-K592 HydrophobicContact CD2-CG 4.09Å; W577-K592 HydrophobicContact CE3-CB 4.42Å; W577-K592 HydrophobicContact CE3-CD 4.37Å; W577-K592 HydrophobicContact CE3-CG 3.88Å; W577-K592 HydrophobicContact CG-CD 4.3Å; W577-K592 HydrophobicContact CZ3-CB 4.27Å; W577-K592 HydrophobicContact CZ3-CG 4.23Å
578L91.8Very high92.4Very high7 Ų761.4 Ų61.44%0.03733%0.325CS..Hα-helixtrans-57.4-43.4175.7-86.8167.6000111.4K537 L540 E541 T574 I575 V580 H581 Q582 Y589K537-L578 HydrophobicContact CG-CD2 3.92Å; L540-L578 HydrophobicContact CD2-CD1 4.35Å; L540-L578 HydrophobicContact CD2-CD2 3.92Å; L540-L578 HydrophobicContact CD2-CG 4.11Å; L540-L578 HydrophobicContact CG-CD1 4.19Å; L540-L578 HydrophobicContact CG-CD2 4.44Å; L540-L578 HydrophobicContact CG-CG 4.48Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.33Å; T574-L578 WeakPolarHBondContact O-CB 3.39Å; T574-L578 PolarHBondContact O-N 2.83Å; I575-L578 WeakPolarHBondContact O-CB 3.29Å; I575-L578 PolarHBondContact O-N 3.27Å; L578-V580 VanDerWaalsContact C-N 3.32Å; L578-V580 PolarHBondContact O-N 3.44Å; L578-H581 CarbonylContact O-C 3.52Å; L578-H581 PolarHBondContact O-N 2.92Å; L578-Q582 PolarHBondContact O-NE2 3.35Å; L578-Y589 HydrophobicContact CD2-CD1 4.15Å; L578-Y589 HydrophobicContact CD2-CE1 3.92Å
579D89.6Confident92.5Very high110 Ų11060.8 Ų60.859%0.58832%0.322SS*.Hα-helixtrans-60.1-39-177.9-72-21.6000112.8I575 S576 W577I575-D579 PolarHBondContact O-N 2.9Å; S576-D579 PolarHBondContact O-N 3.17Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.96Å
580V92.4Very high92.5Very high114 Ų11461.6 Ų61.669%0.69132%0.319SS*.Hα-helixtrans-86-21.2176.2-970000114.2S576 W577 L578S576-V580 WeakPolarHBondContact O-CG2 3.39Å; S576-V580 PolarHBondContact O-N 3.39Å; W577-V580 PolarHBondContact O-N 2.91Å; L578-V580 VanDerWaalsContact C-N 3.32Å; L578-V580 PolarHBondContact O-N 3.44Å
581H89.8Confident92.5Very high69 Ų6962.1 Ų62.132%0.31933%0.328SS..  trans-112.949.7-173.9-6181.1000112.4W577 L578 S583 A584 Y589W577-H581 AromaticContact CD1-CE1 3.52Å; W577-H581 AromaticContact CD1-ND1 3.5Å; W577-H581 HydrophobicContact CD2-CB 4.11Å; W577-H581 AromaticContact CD2-ND1 3.79Å; W577-H581 AromaticContact CE2-CD2 3.93Å; W577-H581 AromaticContact CE2-CG 3.54Å; W577-H581 AromaticContact CE2-ND1 3.59Å; W577-H581 HydrophobicContact CE3-CB 4.15Å; W577-H581 AromaticContact CG-ND1 3.75Å; W577-H581 HydrophobicContact CH2-CB 3.82Å; W577-H581 HydrophobicContact CZ2-CB 3.76Å; W577-H581 AromaticContact CZ2-CD2 3.93Å; W577-H581 AromaticContact CZ2-CG 3.71Å; W577-H581 HydrophobicContact CZ3-CB 4.01Å; W577-H581 AromaticContact NE1-CD2 3.85Å; W577-H581 AromaticContact NE1-CE1 3.37Å; W577-H581 PolarHBondContact NE1-CE1 2.91Å; W577-H581 AromaticContact NE1-CG 3.71Å; W577-H581 AromaticContact NE1-ND1 3.39Å; W577-H581 PolarHBondContact NE1-ND1 3.45Å; W577-H581 AromaticContact NE1-NE2 3.65Å; W577-H581 WeakPolarHBondContact O-CB 3.46Å; W577-H581 PolarHBondContact O-N 3.38Å; W577-H581 PolarHBondContact O-ND1 3.36Å; L578-H581 CarbonylContact O-C 3.52Å; L578-H581 PolarHBondContact O-N 2.92Å; H581-S583 PolarHBondContact O-N 3.39Å; H581-A584 HydrophobicContact CB-CB 4.09Å; H581-A584 PolarHBondContact O-N 3.26Å; H581-Y589 WeakPolarHBondContact O-CE1 3.4Å; H581-Y589 PolarHBondContact O-OH 3.42Å
582Q84.5Confident92.6Very high89 Ų8963.6 Ų63.642%0.41634%0.335SS..THydrogen-bonded Turntrans-66.7-19.5-179.7-64.1-74.1-50.800113.8R533 L578 Y589R533-Q582 PolarHBondContact NH1-O 3.06Å; R533-Q582 VanDerWaalsContact NH1-O 3.11Å; L578-Q582 PolarHBondContact O-NE2 3.35Å; Q582-Y589 PolarHBondContact O-OH 3.23Å; Q582-Y589 VanDerWaalsContact O-OH 3.05Å
583S83.7Confident92.6Very high106 Ų10663.3 Ų63.374%0.74133%0.33SS*.THydrogen-bonded Turntrans-113.214.9-178.757.70000114.1H581H581-S583 PolarHBondContact O-N 3.39Å
584A88.4Confident92.6Very high6 Ų663.7 Ų63.75%0.0533%0.329CS..  trans-63155.3175.900000112.1R533 W577 H581 E588 Y589R533-A584 WeakPolarHBondContact CD-O 3.45Å; R533-A584 VanDerWaalsContact CG-O 3.3Å; R533-A584 WeakPolarHBondContact CG-O 3.31Å; R533-A584 PolarHBondContact NH1-O 3.23Å; W577-A584 HydrophobicContact CH2-CB 3.86Å; W577-A584 HydrophobicContact CZ2-CB 4.4Å; H581-A584 HydrophobicContact CB-CB 4.09Å; H581-A584 PolarHBondContact O-N 3.26Å; A584-E588 WeakPolarHBondContact CA-OE2 3.43Å; A584-E588 HydrophobicContact CB-CB 4.04Å; A584-E588 WeakPolarHBondContact CB-OE2 3.4Å; A584-Y589 HydrophobicContact CB-CE1 3.98Å; A584-Y589 HydrophobicContact CB-CE2 4.18Å; A584-Y589 PolarHBondContact N-OH 3.09Å; A584-Y589 WeakPolarHBondContact O-CE2 3.37Å
585E91Very high92.6Very high74 Ų7467.1 Ų67.135%0.34635%0.345SS..  trans-74.1159.9178.9-72.5-76.7167.800111.7K529 H587 E588 Y589K529-E585 WeakPolarHBondContact CE-OE2 3.43Å; K529-E585 IonicContact NZ-OE1 2.64Å; K529-E585 PolarHBondContact NZ-OE1 3.49Å; K529-E585 IonicContact NZ-OE2 2.97Å; K529-E585 PolarHBondContact NZ-OE2 3.21Å; E585-H587 VanDerWaalsContact C-N 3.31Å; E585-H587 WeakPolarHBondContact CB-ND1 3.26Å; E585-H587 PolarHBondContact O-N 2.93Å; E585-E588 HydrophobicContact CB-CG 4.37Å; E585-E588 PolarHBondContact N-OE2 3Å; E585-E588 WeakPolarHBondContact O-CB 3.13Å; E585-E588 PolarHBondContact O-N 2.83Å; E585-Y589 PolarHBondContact O-N 3.18Å
586K91.8Very high92.7Very high71 Ų7165.7 Ų65.731%0.30934%0.337SS..Hα-helixtrans-49.3-50-178.4179.9-172.3-177.1168.30112.6D532 R533 A536 E588 Y589 E590D532-K586 HydrophobicContact CB-CD 4.14Å; D532-K586 IonicContact OD2-NZ 3.64Å; D532-K586 PolarHBondContact OD2-NZ 3.36Å; R533-K586 HydrophobicContact CB-CB 4.5Å; A536-K586 HydrophobicContact CB-CG 4.01Å; K586-E588 PolarHBondContact O-N 2.91Å; K586-Y589 PolarHBondContact O-N 3.05Å; K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 HydrophobicContact CG-CG 4.48Å; K586-E590 WeakPolarHBondContact O-CG 3.4Å; K586-E590 PolarHBondContact O-N 3.47Å
587H95.5Very high92.7Very high126 Ų12665 Ų6558%0.58333%0.326SS*.Hα-helixtrans-65-27.2-177.174.4-78.7000113.1E585 S591E585-H587 VanDerWaalsContact C-N 3.31Å; E585-H587 WeakPolarHBondContact CB-ND1 3.26Å; E585-H587 PolarHBondContact O-N 2.93Å; H587-S591 WeakPolarHBondContact O-CB 3.45Å; H587-S591 PolarHBondContact O-N 3.34Å
588E95.1Very high92.7Very high73 Ų7369.5 Ų69.534%0.34135%0.347SS..Hα-helixtrans-72.1-43.1176.6-61.6-178.99500110.4W577 A584 E585 K586 S591 K592W577-E588 HydrophobicContact CH2-CB 4.25Å; W577-E588 HydrophobicContact CZ2-CB 4.49Å; A584-E588 WeakPolarHBondContact CA-OE2 3.43Å; A584-E588 HydrophobicContact CB-CB 4.04Å; A584-E588 WeakPolarHBondContact CB-OE2 3.4Å; E585-E588 HydrophobicContact CB-CG 4.37Å; E585-E588 PolarHBondContact N-OE2 3Å; E585-E588 WeakPolarHBondContact O-CB 3.13Å; E585-E588 PolarHBondContact O-N 2.83Å; K586-E588 PolarHBondContact O-N 2.91Å; E588-S591 PolarHBondContact O-N 3.47Å; E588-K592 WeakPolarHBondContact O-CB 3.38Å; E588-K592 PolarHBondContact O-N 3.45Å
589Y94.4Very high92.7Very high1 Ų171.3 Ų71.30%0.00436%0.358CS..Hα-helixtrans-62.3-44.1172.9-66.6-53.5000112R533 K537 L540 W577 L578 H581 Q582 A584 E585 K586 K592 R593R533-Y589 HydrophobicContact CG-CD2 4.25Å; R533-Y589 HydrophobicContact CG-CE2 3.92Å; K537-Y589 HydrophobicContact CB-CD1 4.16Å; K537-Y589 HydrophobicContact CB-CD2 3.85Å; K537-Y589 HydrophobicContact CB-CE1 4.07Å; K537-Y589 HydrophobicContact CB-CE2 3.69Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.43Å; K537-Y589 HydrophobicContact CG-CD1 4.23Å; K537-Y589 HydrophobicContact CG-CE1 3.81Å; K537-Y589 HydrophobicContact CG-CE2 4.19Å; L540-Y589 HydrophobicContact CD2-CD1 4.1Å; W577-Y589 HydrophobicContact CH2-CD1 4Å; W577-Y589 HydrophobicContact CH2-CE1 4.08Å; W577-Y589 AromaticContact CZ3-CD1 3.65Å; W577-Y589 HydrophobicContact CZ3-CD1 3.65Å; W577-Y589 AromaticContact CZ3-CE1 3.73Å; W577-Y589 HydrophobicContact CZ3-CE1 3.73Å; L578-Y589 HydrophobicContact CD2-CD1 4.15Å; L578-Y589 HydrophobicContact CD2-CE1 3.92Å; H581-Y589 WeakPolarHBondContact O-CE1 3.4Å; H581-Y589 PolarHBondContact O-OH 3.42Å; Q582-Y589 PolarHBondContact O-OH 3.23Å; Q582-Y589 VanDerWaalsContact O-OH 3.05Å; A584-Y589 HydrophobicContact CB-CE1 3.98Å; A584-Y589 HydrophobicContact CB-CE2 4.18Å; A584-Y589 PolarHBondContact N-OH 3.09Å; A584-Y589 WeakPolarHBondContact O-CE2 3.37Å; E585-Y589 PolarHBondContact O-N 3.18Å; K586-Y589 PolarHBondContact O-N 3.05Å; Y589-K592 PolarHBondContact O-N 3.44Å; Y589-R593 PolarHBondContact O-N 3.35Å
590E95.7Very high92.8Very high79 Ų7966 Ų6637%0.36933%0.33SS..Hα-helixtrans-63.5-46.1177.7-71.5173.716200111.4A536 K586 K592 R593 E594A536-E590 HydrophobicContact CB-CG 4.23Å; K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 HydrophobicContact CG-CG 4.48Å; K586-E590 WeakPolarHBondContact O-CG 3.4Å; K586-E590 PolarHBondContact O-N 3.47Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.26Å; E590-R593 WeakPolarHBondContact O-CB 3.4Å; E590-R593 PolarHBondContact O-N 3.37Å; E590-R593 VanDerWaalsContact O-N 3.15Å; E590-E594 PolarHBondContact O-N 3.06Å
591S96.3Very high92.7Very high55 Ų5562.8 Ų62.839%0.38532%0.315SS..Hα-helixtrans-59.4-41.6175-177.10000111.6H587 E588 R593 E594 E595H587-S591 WeakPolarHBondContact O-CB 3.45Å; H587-S591 PolarHBondContact O-N 3.34Å; E588-S591 PolarHBondContact O-N 3.47Å; S591-R593 VanDerWaalsContact C-N 3.32Å; S591-R593 PolarHBondContact O-N 3.22Å; S591-E594 PolarHBondContact O-N 3.01Å; S591-E595 PolarHBondContact O-N 3.48Å
592K95.6Very high92.8Very high32 Ų3262.9 Ų62.914%0.13932%0.322CS..Hα-helixtrans-67.4-34.4178-157.670.1-178.2167.80112.3L540 T574 W577 E588 Y589 E590 E595 L596L540-K592 HydrophobicContact CD2-CB 3.85Å; L540-K592 HydrophobicContact CD2-CG 4.14Å; T574-K592 HydrophobicContact CG2-CG 4.09Å; W577-K592 HydrophobicContact CD2-CD 4.08Å; W577-K592 HydrophobicContact CD2-CG 4.09Å; W577-K592 HydrophobicContact CE3-CB 4.42Å; W577-K592 HydrophobicContact CE3-CD 4.37Å; W577-K592 HydrophobicContact CE3-CG 3.88Å; W577-K592 HydrophobicContact CG-CD 4.3Å; W577-K592 HydrophobicContact CZ3-CB 4.27Å; W577-K592 HydrophobicContact CZ3-CG 4.23Å; E588-K592 WeakPolarHBondContact O-CB 3.38Å; E588-K592 PolarHBondContact O-N 3.45Å; Y589-K592 PolarHBondContact O-N 3.44Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.26Å; K592-E595 IonicContact NZ-OE2 3.8Å; K592-E595 PolarHBondContact NZ-OE2 3.45Å; K592-E595 PolarHBondContact O-N 2.91Å; K592-L596 PolarHBondContact O-N 3.16Å; K592-L596 VanDerWaalsContact O-N 3.17Å
593R94.5Very high92.9Very high82 Ų8259.6 Ų59.631%0.30931%0.307SS..Hα-helixtrans-63.6-47.3171.7-156.6-173.979.4-163.5-7.8111.2S539 L540 Y543 Y589 E590 S591 E595 L596 E597S539-R593 PolarHBondContact OG-NH1 3.01Å; S539-R593 VanDerWaalsContact OG-NH1 3.13Å; L540-R593 HydrophobicContact CD1-CB 3.8Å; L540-R593 HydrophobicContact CD1-CG 4Å; Y543-R593 HydrophobicContact CD1-CG 4.32Å; Y589-R593 PolarHBondContact O-N 3.35Å; E590-R593 WeakPolarHBondContact O-CB 3.4Å; E590-R593 PolarHBondContact O-N 3.37Å; E590-R593 VanDerWaalsContact O-N 3.15Å; S591-R593 VanDerWaalsContact C-N 3.32Å; S591-R593 PolarHBondContact O-N 3.22Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 2.89Å; R593-L596 PolarHBondContact O-N 3.08Å; R593-L596 VanDerWaalsContact O-N 3.15Å; R593-E597 IonicContact CZ-OE1 3.64Å; R593-E597 IonicContact NE-OE1 3.38Å; R593-E597 PolarHBondContact NE-OE1 2.98Å; R593-E597 IonicContact NH2-OE1 3.25Å; R593-E597 WeakPolarHBondContact O-CB 3.43Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.36Å
594E95.9Very high93Very high96 Ų9655.5 Ų55.545%0.44928%0.276SS..Hα-helixtrans-60.9-39.1177-73.5-172.5-170.500112.6E590 S591 L596 E597 K598E590-E594 PolarHBondContact O-N 3.06Å; S591-E594 PolarHBondContact O-N 3.01Å; E594-L596 VanDerWaalsContact C-N 3.32Å; E594-L596 PolarHBondContact O-N 2.96Å; E594-E597 PolarHBondContact O-N 2.88Å; E594-K598 WeakPolarHBondContact O-CB 3.38Å; E594-K598 WeakPolarHBondContact O-CD 3.48Å; E594-K598 WeakPolarHBondContact O-CG 3.27Å; E594-K598 PolarHBondContact O-N 3.46Å; E594-K598 IonicContact OE2-NZ 3.6Å; E594-K598 PolarHBondContact OE2-NZ 3.34Å
595E95.3Very high92.9Very high71 Ų7158.5 Ų58.533%0.33229%0.294SS..Hα-helixtrans-59.6-42.9174.3-79.2178.8-156.500112.1K570 S591 K592 R593K570-E595 IonicContact NZ-OE2 3.96Å; S591-E595 PolarHBondContact O-N 3.48Å; K592-E595 IonicContact NZ-OE2 3.8Å; K592-E595 PolarHBondContact NZ-OE2 3.45Å; K592-E595 PolarHBondContact O-N 2.91Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 2.89Å
596L94.9Very high92.6Very high0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-69.8-45.5177.9-179.661000111.1Y543 V544 K570 T574 K592 R593 E594 K598 V599 C600Y543-L596 HydrophobicContact CD1-CD2 3.73Å; Y543-L596 HydrophobicContact CD1-CG 4.16Å; Y543-L596 HydrophobicContact CE1-CB 4.45Å; Y543-L596 HydrophobicContact CE1-CD2 3.98Å; Y543-L596 HydrophobicContact CE1-CG 3.89Å; V544-L596 HydrophobicContact CB-CD2 4.23Å; V544-L596 HydrophobicContact CG2-CD2 3.38Å; K570-L596 HydrophobicContact CB-CD1 4.04Å; K570-L596 HydrophobicContact CG-CD1 3.57Å; T574-L596 HydrophobicContact CG2-CD2 4.35Å; K592-L596 PolarHBondContact O-N 3.16Å; K592-L596 VanDerWaalsContact O-N 3.17Å; R593-L596 PolarHBondContact O-N 3.08Å; R593-L596 VanDerWaalsContact O-N 3.15Å; E594-L596 VanDerWaalsContact C-N 3.32Å; E594-L596 PolarHBondContact O-N 2.96Å; L596-K598 VanDerWaalsContact C-N 3.29Å; L596-K598 PolarHBondContact O-N 2.94Å; L596-V599 PolarHBondContact O-N 3.42Å; L596-C600 VanDerWaalsContact CD1-SG 3.58Å; L596-C600 PolarHBondContact O-N 3.12Å; L596-C600 PolarHBondContact O-SG 2.71Å; L596-C600 VanDerWaalsContact O-SG 3.36Å
597E94.6Very high92Very high57 Ų5759 Ų5927%0.26630%0.297SS..Hα-helixtrans-57.2-41.1175.7-76.6172.6-172.500111.8Y543 R593 E594 V599 C600 A601Y543-E597 HydrophobicContact CD1-CG 4.38Å; Y543-E597 HydrophobicContact CE1-CG 3.59Å; Y543-E597 HydrophobicContact CE2-CG 4.31Å; Y543-E597 WeakPolarHBondContact OH-CG 3.26Å; R593-E597 IonicContact CZ-OE1 3.64Å; R593-E597 IonicContact NE-OE1 3.38Å; R593-E597 PolarHBondContact NE-OE1 2.98Å; R593-E597 IonicContact NH2-OE1 3.25Å; R593-E597 WeakPolarHBondContact O-CB 3.43Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.36Å; E594-E597 PolarHBondContact O-N 2.88Å; E597-V599 PolarHBondContact O-N 3.09Å; E597-C600 PolarHBondContact O-N 2.73Å; E597-A601 WeakPolarHBondContact O-CB 3.49Å; E597-A601 PolarHBondContact O-N 3.42Å
598K95.3Very high91.1Very high141 Ų14159.9 Ų59.961%0.61330%0.296SS*.Hα-helixtrans-60.8-28177-79.3165.8-174.5155.50113.2E594 L596 P602E594-K598 WeakPolarHBondContact O-CB 3.38Å; E594-K598 WeakPolarHBondContact O-CD 3.48Å; E594-K598 WeakPolarHBondContact O-CG 3.27Å; E594-K598 PolarHBondContact O-N 3.46Å; E594-K598 IonicContact OE2-NZ 3.6Å; E594-K598 PolarHBondContact OE2-NZ 3.34Å; L596-K598 VanDerWaalsContact C-N 3.29Å; L596-K598 PolarHBondContact O-N 2.94Å; K598-P602 VanDerWaalsContact O-CD 3.31Å; K598-P602 WeakPolarHBondContact O-CD 3.39Å; K598-P602 WeakPolarHBondContact O-CG 3.48Å
599V93.4Very high90.3Very high45 Ų4563.5 Ų63.527%0.27331%0.313SS..Hα-helixtrans-86.9-46.1176.1177.70000111V566 K570 L596 E597V566-V599 HydrophobicContact CG1-CG1 3.7Å; K570-V599 HydrophobicContact CB-CG1 4.37Å; K570-V599 HydrophobicContact CD-CG2 4.42Å; K570-V599 HydrophobicContact CG-CB 4.31Å; K570-V599 HydrophobicContact CG-CG1 4.41Å; K570-V599 HydrophobicContact CG-CG2 4.21Å; L596-V599 PolarHBondContact O-N 3.42Å; E597-V599 PolarHBondContact O-N 3.09Å
600C90.9Very high88.8Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-75.2-43.1-173.5-63.20000113M547 L596 E597 I603 I604M547-C600 HydrophobicContact CE-CB 3.95Å; M547-C600 HydrophobicContact CG-CB 4.16Å; M547-C600 HydrophobicContact SD-CB 3.95Å; L596-C600 VanDerWaalsContact CD1-SG 3.58Å; L596-C600 PolarHBondContact O-N 3.12Å; L596-C600 PolarHBondContact O-SG 2.71Å; L596-C600 VanDerWaalsContact O-SG 3.36Å; E597-C600 PolarHBondContact O-N 2.73Å; C600-I603 PolarHBondContact O-N 3.07Å; C600-I604 VanDerWaalsContact O-CG1 3.27Å; C600-I604 WeakPolarHBondContact O-CG1 3.24Å; C600-I604 PolarHBondContact O-N 2.64Å
601A90Very high87Confident45 Ų4566.5 Ų66.537%0.37236%0.357SS..Hα-helixtrans-60.4-44.7-171.500000114E597 I603 I604 T605E597-A601 WeakPolarHBondContact O-CB 3.49Å; E597-A601 PolarHBondContact O-N 3.42Å; A601-I603 VanDerWaalsContact C-N 3.29Å; A601-I603 PolarHBondContact O-N 3.16Å; A601-I604 PolarHBondContact O-N 2.96Å; A601-T605 VanDerWaalsContact O-CB 3.26Å; A601-T605 WeakPolarHBondContact O-CB 3.28Å; A601-T605 PolarHBondContact O-N 2.95Å; A601-T605 PolarHBondContact O-OG1 3.18Å
602P91.3Very high84.2Confident71 Ų7166.7 Ų66.746%0.46137%0.367SS..Hα-helixtrans-62.6-35178.4-22.633.9000113.3K598 K606K598-P602 VanDerWaalsContact O-CD 3.31Å; K598-P602 WeakPolarHBondContact O-CD 3.39Å; K598-P602 WeakPolarHBondContact O-CG 3.48Å; P602-K606 WeakPolarHBondContact O-CG 3.16Å; P602-K606 PolarHBondContact O-N 3.48Å
603I88.2Confident81.2Confident20 Ų2073.8 Ų73.810%0.10340%0.403CS..Hα-helixtrans-72.9-50.3179.9-63.3170.9000109.8I559 D563 V566 I567 C600 A601 T605 K606 V607I559-I603 HydrophobicContact CG2-CG2 3.84Å; D563-I603 HydrophobicContact CB-CD1 4.27Å; D563-I603 HydrophobicContact CB-CG1 4.49Å; D563-I603 HydrophobicContact CB-CG2 3.79Å; V566-I603 HydrophobicContact CG1-CD1 4.32Å; I567-I603 HydrophobicContact CD1-CB 4Å; I567-I603 HydrophobicContact CD1-CD1 4.07Å; I567-I603 HydrophobicContact CD1-CG2 3.69Å; I567-I603 HydrophobicContact CG1-CD1 3.81Å; C600-I603 PolarHBondContact O-N 3.07Å; A601-I603 VanDerWaalsContact C-N 3.29Å; A601-I603 PolarHBondContact O-N 3.16Å; I603-T605 VanDerWaalsContact C-N 3.33Å; I603-T605 PolarHBondContact O-N 3.27Å; I603-K606 PolarHBondContact O-N 3.04Å; I603-V607 VanDerWaalsContact O-CG2 3.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.34Å; I603-V607 PolarHBondContact O-N 3.21Å
604I85.5Confident78.4Confident20 Ų2075.8 Ų75.810%0.10343%0.427CS..Hα-helixtrans-61.4-42.9179.3-63.2-78.9000110.6M547 V551 L555 C600 A601 K606 V607 Y608M547-I604 HydrophobicContact CE-CG1 4.4Å; M547-I604 HydrophobicContact SD-CD1 3.72Å; M547-I604 HydrophobicContact SD-CG1 3.89Å; V551-I604 HydrophobicContact CG1-CD1 4.37Å; L555-I604 HydrophobicContact CD1-CD1 3.43Å; L555-I604 VanDerWaalsContact CD1-CD1 3.43Å; C600-I604 VanDerWaalsContact O-CG1 3.27Å; C600-I604 WeakPolarHBondContact O-CG1 3.24Å; C600-I604 PolarHBondContact O-N 2.64Å; A601-I604 PolarHBondContact O-N 2.96Å; I604-K606 PolarHBondContact O-N 3.23Å; I604-V607 WeakPolarHBondContact O-CB 3.26Å; I604-V607 PolarHBondContact O-N 3.22Å; I604-V607 VanDerWaalsContact O-N 3.12Å; I604-Y608 HydrophobicContact CG2-CD2 3.74Å; I604-Y608 HydrophobicContact CG2-CE2 3.71Å; I604-Y608 WeakPolarHBondContact O-CD2 3.36Å; I604-Y608 PolarHBondContact O-N 3.44Å; I604-Y608 VanDerWaalsContact O-N 3.09Å
605T86.6Confident75.2Confident69 Ų6975.2 Ų75.242%0.42345%0.447SS..Hα-helixtrans-63.4-40.2179.1-62.70000111.8A601 I603 V607 Y608 Q609A601-T605 VanDerWaalsContact O-CB 3.26Å; A601-T605 WeakPolarHBondContact O-CB 3.28Å; A601-T605 PolarHBondContact O-N 2.95Å; A601-T605 PolarHBondContact O-OG1 3.18Å; I603-T605 VanDerWaalsContact C-N 3.33Å; I603-T605 PolarHBondContact O-N 3.27Å; T605-V607 PolarHBondContact O-N 2.83Å; T605-Y608 PolarHBondContact O-N 2.89Å; T605-Q609 HydrophobicContact CG2-CG 4.25Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.36Å; T605-Q609 PolarHBondContact O-N 3.15Å
606K84Confident72Confident140 Ų14074.9 Ų74.961%0.60946%0.463SS*.Hα-helixtrans-59.2-37.4174-81.9177.2-179.7177.70112.2P602 I603 I604 Q609 A610P602-K606 WeakPolarHBondContact O-CG 3.16Å; P602-K606 PolarHBondContact O-N 3.48Å; I603-K606 PolarHBondContact O-N 3.04Å; I604-K606 PolarHBondContact O-N 3.23Å; K606-Q609 PolarHBondContact O-N 3.37Å; K606-A610 WeakPolarHBondContact O-CB 3.27Å; K606-A610 PolarHBondContact O-N 3.34Å
607V78.8Confident68.8Low17 Ų1784.2 Ų84.210%0.10351%0.509CS..Hα-helixtrans-70.6-43.3-178.8176.60000111.1L555 K558 I559 I603 I604 T605 A610 G611L555-V607 HydrophobicContact CD2-CG1 4.22Å; K558-V607 HydrophobicContact CB-CG1 3.78Å; I559-V607 HydrophobicContact CB-CG2 4.29Å; I559-V607 HydrophobicContact CG1-CB 4.49Å; I559-V607 HydrophobicContact CG1-CG1 4.31Å; I559-V607 HydrophobicContact CG1-CG2 3.6Å; I559-V607 HydrophobicContact CG2-CG2 4.37Å; I603-V607 VanDerWaalsContact O-CG2 3.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.34Å; I603-V607 PolarHBondContact O-N 3.21Å; I604-V607 WeakPolarHBondContact O-CB 3.26Å; I604-V607 PolarHBondContact O-N 3.22Å; I604-V607 VanDerWaalsContact O-N 3.12Å; T605-V607 PolarHBondContact O-N 2.83Å; V607-A610 PolarHBondContact O-N 2.98Å; V607-G611 PolarHBondContact O-N 3.46Å
608Y77.8Confident65.6Low143 Ų14390.1 Ų90.156%0.56154%0.536SS*.Hα-helixtrans-68.2-33.4174.3-80.6-75.5000112.9I604 T605I604-Y608 HydrophobicContact CG2-CD2 3.74Å; I604-Y608 HydrophobicContact CG2-CE2 3.71Å; I604-Y608 WeakPolarHBondContact O-CD2 3.36Å; I604-Y608 PolarHBondContact O-N 3.44Å; I604-Y608 VanDerWaalsContact O-N 3.09Å; T605-Y608 PolarHBondContact O-N 2.89Å
609Q76.3Confident62.3Low149 Ų14992.7 Ų92.770%0.69655%0.55SS**Hα-helixtrans-73.5-34.4174.3-75.1-178.8-14.100112.8T605 K606T605-Q609 HydrophobicContact CG2-CG 4.25Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.36Å; T605-Q609 PolarHBondContact O-N 3.15Å; K606-Q609 PolarHBondContact O-N 3.37Å
610A64.8Low59.3Low88 Ų8894.4 Ų94.473%0.72757%0.569SS**Hα-helixtrans-74.9-25.917600000112.5K606 V607 G612K606-A610 WeakPolarHBondContact O-CB 3.27Å; K606-A610 PolarHBondContact O-N 3.34Å; V607-A610 PolarHBondContact O-N 2.98Å; A610-G612 PolarHBondContact O-N 3.03Å
611G56.3Low56.3Low56 Ų5699.5 Ų99.558%0.57761%0.605SS**SBendtrans-8440.8176.400000114.7V607 M613V607-G611 PolarHBondContact O-N 3.46Å; G611-M613 PolarHBondContact O-N 3.41Å
612G39.2Very low53.3Low58 Ų58100.3 Ų100.360%0.59862%0.617SS**  trans-36.1125.2-176.600000114.4A610A610-G612 PolarHBondContact O-N 3.03Å
613M32.6Very low50.2Low181 Ų181107 Ų10789%0.89263%0.634SS**  trans-39.9128.1176.8-78.2174.9135.900113.3G611 G615G611-M613 PolarHBondContact O-N 3.41Å; M613-G615 PolarHBondContact O-N 3.32Å
614P34.7Very low47.4Very low124 Ų124116.8 Ų116.881%0.80567%0.669SS**  trans-74.7112.2141.63.714.7000106.8G616P614-G616 PolarHBondContact O-N 3.18Å
615G29.3Very low44.7Very low84 Ų84125.8 Ų125.887%0.86670%0.702SS**  trans-56.7107.1166.200000109.4M613M613-G615 PolarHBondContact O-N 3.32Å
616G28.2Very low42.1Very low65 Ų65131.3 Ų131.367%0.6772%0.72SS**  trans-135.193.7172.600000108.1P614 H618P614-G616 PolarHBondContact O-N 3.18Å; G616-H618 PolarHBondContact O-N 3.45Å
617M26Very low39.8Very low196 Ų196139.5 Ų139.597%0.96675%0.748SS**  trans-50.3109.9159.3-96.3172.1142.100108
618H28.2Very low37.9Very low180 Ų180145.7 Ų145.783%0.83378%0.78SS**  trans-129.4102.6152.9-115.7-71.2000107.2G616 A620G616-H618 PolarHBondContact O-N 3.45Å; H618-A620 PolarHBondContact O-N 2.98Å
619E26.9Very low35.8Very low196 Ų196145.8 Ų145.892%0.91679%0.791SS**  trans-55.3115.4157.1-77.5179.6138.400107.9
620A29.2Very low33.5Very low81 Ų81145.6 Ų145.667%0.66980%0.797SS**  trans-146.995160.300000108.6H618H618-A620 PolarHBondContact O-N 2.98Å
621S28.6Very low31.7Very low107 Ų107149 Ų14975%0.74880%0.801SS**  trans27.3111.3140.354.80000117.4
622G26.4Very low30.2Very low62 Ų62154.8 Ų154.864%0.63982%0.815SS**  trans-61.9146.2-179.500000115.3
623W27Very low29.6Very low212 Ų212161.3 Ų161.380%0.80383%0.829SS**  trans-134.998.2157.4-80.570.6000106.7W625W623-W625 AromaticContact CE3-NE1 3.53Å; W623-W625 HydrophobicContact CZ3-CZ2 4.4Å; W623-W625 AromaticContact CZ3-NE1 3.92Å
624W28.5Very low29.4Very low225 Ų225159.9 Ų159.985%0.85283%0.825SS**  trans-87.1116.3166.9-72.184000107.8
625W28.8Very low28.9Very low208 Ų208162.6 Ų162.679%0.78883%0.826SS**  trans-111.1104.5153.6-71.6101.3000106.9W623W623-W625 AromaticContact CE3-NE1 3.53Å; W623-W625 HydrophobicContact CZ3-CZ2 4.4Å; W623-W625 AromaticContact CZ3-NE1 3.92Å
626K31.9Very low28.9Very low185 Ų185169.2 Ų169.280%0.80482%0.823SS**  trans-85.5125162.1-101.9-172.5173.4-173.80107.3
627W37.2Very low29Very low313 Ų313178.6 Ų178.6100%1.18684%0.837SS**  trans-65.40161.5-70.582.8000110.9

Retrieved 627 of 627 residues in 633.2 ms (Link to these results)

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