A0A077YZQ9_TRITR Loading...

3 hydroxyacyl coenzyme A dehydrogenase type 2

AlphaFold DB , UniProt , Accession A0A077YZQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M57.3Low88Confident131 Ų13144 Ų4465%0.64525%0.246SC*.  01240-83.8160.5159.100108.2I3 L4 L29 Q232M1-I3 PolarHBondContact O-N 3Å; M1-L4 HydrophobicContact SD-CD1 4.5Å; M1-L29 HydrophobicContact SD-CD2 4.4Å; M1-Q232 VanDerWaalsContact CE-NE2 3.31Å; M1-Q232 PolarHBondContact SD-NE2 3.34Å
2P73.3Confident88.7Confident131 Ų13140.3 Ų40.385%0.85123%0.225SC*.THydrogen-bonded Turntrans-64.4-36.1-172.3-21.432.3000114.3
3I82.9Confident89.1Confident62 Ų6237.8 Ų37.832%0.31821%0.214SC..THydrogen-bonded Turntrans-77.1-31.1-168.6-163.1168.6000114.4M1 E236M1-I3 PolarHBondContact O-N 3Å; I3-E236 HydrophobicContact CG2-CG 3.78Å
4L90.8Very high89.3Confident0 Ų035.1 Ų35.10%020%0.199CC..THydrogen-bonded Turntrans-88.5-22.7-179.2-60.1175.3000112.6M1 G6 L7 L26 L29 S31 Q232 I235M1-L4 HydrophobicContact SD-CD1 4.5Å; L4-G6 PolarHBondContact O-N 3.17Å; L4-G6 VanDerWaalsContact O-N 3.14Å; L4-L7 HydrophobicContact CD2-CD1 4.32Å; L4-L7 VanDerWaalsContact O-CB 3.26Å; L4-L7 WeakPolarHBondContact O-CB 3.42Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-L7 VanDerWaalsContact O-N 3.11Å; L4-L26 HydrophobicContact CD2-CD2 4.41Å; L4-L29 HydrophobicContact CB-CB 4.27Å; L4-L29 HydrophobicContact CD1-CB 4.14Å; L4-L29 HydrophobicContact CD1-CD1 3.45Å; L4-L29 VanDerWaalsContact CD1-CD1 3.45Å; L4-L29 HydrophobicContact CD1-CG 4.32Å; L4-S31 PolarHBondContact O-OG 3.05Å; L4-Q232 HydrophobicContact CD1-CG 3.94Å; L4-I235 HydrophobicContact CD2-CB 4.32Å; L4-I235 HydrophobicContact CD2-CD1 4.37Å; L4-I235 HydrophobicContact CD2-CG2 3.67Å
5Q93.1Very high89.5Confident124 Ų12433.3 Ų33.358%0.57919%0.19SC*.THydrogen-bonded Turntrans-63119.5-179.5-175.365.755.200110.3L7 G30Q5-L7 PolarHBondContact O-N 3.09Å; Q5-G30 PolarHBondContact NE2-O 2.87Å; Q5-G30 VanDerWaalsContact NE2-O 3.14Å
6G92.5Very high89.7Confident24 Ų2434.8 Ų34.825%0.24720%0.203CC..THydrogen-bonded Turntrans71.110.7-179.600000115L4 G30 K78L4-G6 PolarHBondContact O-N 3.17Å; L4-G6 VanDerWaalsContact O-N 3.14Å; G6-G30 PolarHBondContact N-O 3.41Å; G6-K78 WeakPolarHBondContact O-CE 3.28Å; G6-K78 PolarHBondContact O-NZ 3.36Å
7L94.1Very high90Very high11 Ų1133.6 Ų33.66%0.05820%0.2CC..  trans-65.8140.8168.1-177.4145.6000109.6L4 Q5 A9 S31 K32 N80 V81 I235L4-L7 HydrophobicContact CD2-CD1 4.32Å; L4-L7 VanDerWaalsContact O-CB 3.26Å; L4-L7 WeakPolarHBondContact O-CB 3.42Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-L7 VanDerWaalsContact O-N 3.11Å; Q5-L7 PolarHBondContact O-N 3.09Å; L7-A9 HydrophobicContact CD2-CB 4.22Å; L7-S31 CarbonylContact O-C 3.57Å; L7-S31 WeakPolarHBondContact O-CA 3.37Å; L7-S31 WeakPolarHBondContact O-CB 3.3Å; L7-K32 PolarHBondContact O-N 3.01Å; L7-N80 HydrophobicContact CD1-CB 4.03Å; L7-N80 HydrophobicContact CD2-CB 3.97Å; L7-N80 HydrophobicContact CG-CB 3.55Å; L7-V81 HydrophobicContact CD1-CG2 3.72Å; L7-V81 HydrophobicContact CD2-CB 3.99Å; L7-V81 HydrophobicContact CD2-CG2 3.4Å; L7-V81 HydrophobicContact CG-CG2 4.02Å; L7-I235 HydrophobicContact CD1-CG2 3.93Å
8V95.3Very high90.4Very high1 Ų133 Ų331%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-106.8120178-178.30000110.3K32 F76 K78 N80 V81V8-K32 CarbonylContact C-O 3.44Å; V8-K32 WeakPolarHBondContact CA-O 3.44Å; V8-K32 HydrophobicContact CG2-CB 4.12Å; V8-F76 HydrophobicContact CB-CB 4.42Å; V8-F76 HydrophobicContact CG1-CB 4.13Å; V8-F76 HydrophobicContact CG1-CD2 3.7Å; V8-F76 HydrophobicContact CG1-CG 4.19Å; V8-F76 HydrophobicContact CG2-CB 3.41Å; V8-F76 VanDerWaalsContact CG2-CB 3.41Å; V8-F76 HydrophobicContact CG2-CD2 4.21Å; V8-F76 HydrophobicContact CG2-CG 3.85Å; V8-K78 HydrophobicContact CB-CG 4.19Å; V8-K78 WeakPolarHBondContact CG1-O 3.29Å; V8-K78 HydrophobicContact CG2-CD 4.29Å; V8-K78 HydrophobicContact CG2-CG 3.7Å; V8-N80 PolarHBondContact N-OD1 3.46Å; V8-N80 WeakPolarHBondContact O-CA 3.39Å; V8-N80 WeakPolarHBondContact O-CB 3.44Å; V8-N80 PolarHBondContact O-N 3.27Å; V8-V81 PolarHBondContact O-N 3.38Å; V8-V81 VanDerWaalsContact O-N 3.09Å
9A96.6Very high90.7Very high0 Ų031.3 Ų31.30%019%0.186CC..EExtended strand (participates in β ladder)trans-112.3134.6177.800000111.9L7 I11 L26 K32 V33 V34 V81L7-A9 HydrophobicContact CD2-CB 4.22Å; A9-I11 HydrophobicContact CB-CG1 4.32Å; A9-L26 HydrophobicContact CB-CD1 3.82Å; A9-K32 PolarHBondContact N-O 3.17Å; A9-V33 CarbonylContact O-C 3.48Å; A9-V33 WeakPolarHBondContact O-CA 3.32Å; A9-V34 PolarHBondContact O-N 3.17Å; A9-V81 CarbonylContact C-O 3.56Å; A9-V81 VanDerWaalsContact CA-O 3.25Å; A9-V81 WeakPolarHBondContact CA-O 3.27Å; A9-V81 HydrophobicContact CB-CB 4.09Å
10L96.5Very high90.9Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-102.1121.5165.7176.158000108.6V34 L36 A68 L69 L79 V81 L82 I83 L122L10-V34 WeakPolarHBondContact CA-O 3.45Å; L10-V34 HydrophobicContact CD1-CB 3.95Å; L10-V34 HydrophobicContact CD1-CG1 3.64Å; L10-L36 HydrophobicContact CD1-CB 4.27Å; L10-A68 HydrophobicContact CD1-CB 4.09Å; L10-A68 HydrophobicContact CD2-CB 4.27Å; L10-L69 HydrophobicContact CD2-CD2 3.86Å; L10-L69 HydrophobicContact CD2-CG 4.49Å; L10-L79 HydrophobicContact CB-CD1 3.6Å; L10-V81 PolarHBondContact N-O 2.9Å; L10-L82 HydrophobicContact CB-CD1 4.31Å; L10-L82 HydrophobicContact CD2-CD1 4.27Å; L10-L82 HydrophobicContact CG-CD1 4.19Å; L10-I83 PolarHBondContact O-N 3.37Å; L10-L122 HydrophobicContact CD2-CD1 3.92Å
11I96.1Very high91.1Very high0 Ų032.1 Ų32.10%019%0.186CC..EExtended strand (participates in β ladder)trans-119.3107.5-174.3-52-178.9000109.9A9 G14 C22 A23 L26 V33 V34 I35 L36 I83A9-I11 HydrophobicContact CB-CG1 4.32Å; I11-G14 PolarHBondContact O-N 3.11Å; I11-C22 HydrophobicContact CD1-CB 4.05Å; I11-A23 HydrophobicContact CD1-CB 3.94Å; I11-L26 HydrophobicContact CD1-CD1 4.24Å; I11-V33 HydrophobicContact CD1-CG1 3.74Å; I11-V33 HydrophobicContact CD1-CG2 4.42Å; I11-V33 HydrophobicContact CG1-CG1 4.12Å; I11-V34 PolarHBondContact N-O 3.28Å; I11-I35 WeakPolarHBondContact O-CA 3.33Å; I11-L36 PolarHBondContact O-N 2.95Å; I11-I83 CarbonylContact C-O 3.33Å; I11-I83 WeakPolarHBondContact CA-O 3.23Å; I11-I83 HydrophobicContact CD1-CD1 4.07Å; I11-I83 HydrophobicContact CG1-CB 4.18Å; I11-I83 HydrophobicContact CG1-CD1 4.05Å; I11-I83 HydrophobicContact CG1-CG1 4.36Å; I11-I83 HydrophobicContact CG2-CB 4.26Å
12A95.7Very high93Very high0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-80.5136.6170.300000111.1G14 L36 V59 I83 C85 A86 L122A12-G14 VanDerWaalsContact C-N 3.28Å; A12-L36 CarbonylContact C-O 3.57Å; A12-L36 VanDerWaalsContact CA-O 3.22Å; A12-L36 WeakPolarHBondContact CA-O 3.38Å; A12-L36 HydrophobicContact CB-CB 4.4Å; A12-L36 HydrophobicContact CB-CD2 4.41Å; A12-V59 HydrophobicContact CB-CG1 3.69Å; A12-I83 PolarHBondContact N-O 2.92Å; A12-C85 CarbonylContact O-C 3.51Å; A12-C85 VanDerWaalsContact O-CA 3.31Å; A12-C85 WeakPolarHBondContact O-CA 3.37Å; A12-C85 VanDerWaalsContact O-CB 3.26Å; A12-C85 WeakPolarHBondContact O-CB 3.14Å; A12-C85 PolarHBondContact O-N 3.16Å; A12-A86 HydrophobicContact CB-CB 3.91Å; A12-A86 PolarHBondContact O-N 3.45Å; A12-L122 HydrophobicContact CB-CD2 3.38Å
13G93.9Very high94.1Very high8 Ų819.7 Ų19.78%0.08212%0.115CC..THydrogen-bonded Turntrans73.123-166.700000112.4A15 G19 L36 D37G13-A15 VanDerWaalsContact C-N 3.25Å; G13-A15 PolarHBondContact O-N 3.08Å; G13-G19 WeakPolarHBondContact O-CA 3.36Å; G13-L36 PolarHBondContact N-O 3.33Å; G13-D37 VanDerWaalsContact CA-OD2 3.27Å; G13-D37 WeakPolarHBondContact CA-OD2 3.4Å
14G92.3Very high94.6Very high0 Ų020.3 Ų20.30%012%0.117CC..THydrogen-bonded Turntrans-71.5-10-174.300000115.1I11 A12 K20 D37I11-G14 PolarHBondContact O-N 3.11Å; A12-G14 VanDerWaalsContact C-N 3.28Å; G14-K20 VanDerWaalsContact O-CA 3.26Å; G14-K20 WeakPolarHBondContact O-CA 3.33Å; G14-K20 WeakPolarHBondContact O-CB 3.44Å; G14-K20 PolarHBondContact O-N 3.23Å; G14-D37 PolarHBondContact N-OD2 2.9Å
15A91.9Very high94.9Very high8 Ų822.3 Ų22.37%0.06613%0.126CC..THydrogen-bonded Turntrans-86-9.9-178.900000113.5G13 D37 V46G13-A15 VanDerWaalsContact C-N 3.25Å; G13-A15 PolarHBondContact O-N 3.08Å; A15-D37 WeakPolarHBondContact CA-OD2 3.5Å; A15-D37 HydrophobicContact CB-CB 3.87Å; A15-D37 WeakPolarHBondContact CB-OD2 3.32Å; A15-D37 PolarHBondContact N-OD2 3.15Å; A15-V46 HydrophobicContact CB-CG2 4.46Å
16S92.6Very high95Very high57 Ų5716.5 Ų16.540%0.39910%0.099SC..SBendtrans-151.5165.8-176.9750000114.2L18 G19 K20S16-L18 PolarHBondContact O-N 3.26Å; S16-G19 PolarHBondContact O-N 2.9Å; S16-K20 PolarHBondContact O-N 2.95Å
17G94.7Very high95Very high15 Ų1517.4 Ų17.416%0.15510%0.098CC..Hα-helixtrans51.2-131.7170.500000114.1G19 K20 G21G17-G19 PolarHBondContact O-N 3.31Å; G17-K20 PolarHBondContact O-N 3.43Å; G17-G21 PolarHBondContact O-N 3.29Å
18L97.5Very high95Very high22 Ų2223.6 Ų23.612%0.11513%0.131CC..Hα-helixtrans-62.2-40.4-177.7-58.6-178.4000112.7S16 G21 C22 V147 P192 F195 T197 F227S16-L18 PolarHBondContact O-N 3.26Å; L18-G21 PolarHBondContact O-N 3.08Å; L18-C22 PolarHBondContact O-N 3.14Å; L18-C22 PolarHBondContact O-SG 3.21Å; L18-V147 HydrophobicContact CD1-CG1 4.23Å; L18-P192 HydrophobicContact CD1-CB 4.36Å; L18-P192 HydrophobicContact CD1-CG 4Å; L18-F195 HydrophobicContact CD2-CB 3.85Å; L18-F195 HydrophobicContact CD2-CD1 3.74Å; L18-F195 HydrophobicContact CD2-CG 3.87Å; L18-T197 HydrophobicContact CD2-CG2 3.89Å; L18-T197 HydrophobicContact CG-CG2 3.91Å; L18-F227 HydrophobicContact CB-CD1 3.88Å; L18-F227 HydrophobicContact CB-CE1 4.11Å; L18-F227 HydrophobicContact CB-CG 4.28Å; L18-F227 HydrophobicContact CD1-CD1 4.43Å; L18-F227 HydrophobicContact CD1-CD2 3.94Å; L18-F227 HydrophobicContact CD1-CE2 4.03Å; L18-F227 HydrophobicContact CD1-CG 4.16Å; L18-F227 HydrophobicContact CD1-CZ 4.35Å; L18-F227 HydrophobicContact CD2-CB 3.78Å; L18-F227 HydrophobicContact CD2-CD1 4.27Å; L18-F227 HydrophobicContact CD2-CD2 4.3Å; L18-F227 HydrophobicContact CD2-CG 3.85Å; L18-F227 HydrophobicContact CG-CD1 4.41Å; L18-F227 HydrophobicContact CG-CG 4.31Å
19G95.9Very high95Very high1 Ų125.8 Ų25.81%0.0114%0.143CC..Hα-helixtrans-65.1-43.318000000112G13 S16 G17 C22 A23G13-G19 WeakPolarHBondContact O-CA 3.36Å; S16-G19 PolarHBondContact O-N 2.9Å; G17-G19 PolarHBondContact O-N 3.31Å; G19-C22 WeakPolarHBondContact O-CB 3.4Å; G19-C22 PolarHBondContact O-N 2.86Å; G19-A23 PolarHBondContact O-N 3.11Å
20K94.5Very high94.9Very high73 Ų7326.6 Ų26.632%0.31715%0.151SC..Hα-helixtrans-61.7-44.6173.2179.9176.9168.4-178.80112G14 S16 G17 C22 A23 E24 V46G14-K20 VanDerWaalsContact O-CA 3.26Å; G14-K20 WeakPolarHBondContact O-CA 3.33Å; G14-K20 WeakPolarHBondContact O-CB 3.44Å; G14-K20 PolarHBondContact O-N 3.23Å; S16-K20 PolarHBondContact O-N 2.95Å; G17-K20 PolarHBondContact O-N 3.43Å; K20-C22 VanDerWaalsContact C-N 3.26Å; K20-C22 PolarHBondContact O-N 2.93Å; K20-A23 WeakPolarHBondContact O-CB 3.26Å; K20-A23 PolarHBondContact O-N 3.16Å; K20-A23 VanDerWaalsContact O-N 3.09Å; K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 HydrophobicContact CG-CG 4.45Å; K20-E24 IonicContact NZ-OE1 2.64Å; K20-E24 PolarHBondContact O-N 2.95Å; K20-V46 HydrophobicContact CD-CG1 4.43Å; K20-V46 HydrophobicContact CD-CG2 4.43Å; K20-V46 HydrophobicContact CG-CG1 4.43Å
21G96.2Very high94.9Very high6 Ų626.7 Ų26.76%0.06215%0.152CC..Hα-helixtrans-58-39175.600000112.6G17 L18 H25G17-G21 PolarHBondContact O-N 3.29Å; L18-G21 PolarHBondContact O-N 3.08Å; G21-H25 VanDerWaalsContact O-CB 3.24Å; G21-H25 WeakPolarHBondContact O-CB 3.45Å; G21-H25 PolarHBondContact O-N 3.07Å
22C97.3Very high94.7Very high1 Ų131.4 Ų31.41%0.00717%0.172CC..Hα-helixtrans-65.2-42.9173.5-64.50000112.5I11 L18 G19 K20 H25 L26 I83 F227I11-C22 HydrophobicContact CD1-CB 4.05Å; L18-C22 PolarHBondContact O-N 3.14Å; L18-C22 PolarHBondContact O-SG 3.21Å; G19-C22 WeakPolarHBondContact O-CB 3.4Å; G19-C22 PolarHBondContact O-N 2.86Å; K20-C22 VanDerWaalsContact C-N 3.26Å; K20-C22 PolarHBondContact O-N 2.93Å; C22-H25 PolarHBondContact O-N 3.14Å; C22-L26 WeakPolarHBondContact O-CB 3.28Å; C22-L26 VanDerWaalsContact O-CG 3.32Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 3.19Å; C22-I83 HydrophobicContact CB-CD1 4.14Å; C22-F227 VanDerWaalsContact SG-CD1 3.57Å; C22-F227 VanDerWaalsContact SG-CE1 3.58Å
23A94.7Very high94.7Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-60.2-51.7178.400000111.2I11 G19 K20 H25 L26 L27 V33 I35 L50I11-A23 HydrophobicContact CD1-CB 3.94Å; G19-A23 PolarHBondContact O-N 3.11Å; K20-A23 WeakPolarHBondContact O-CB 3.26Å; K20-A23 PolarHBondContact O-N 3.16Å; K20-A23 VanDerWaalsContact O-N 3.09Å; A23-H25 PolarHBondContact O-N 3.4Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-L27 WeakPolarHBondContact O-CB 3.48Å; A23-L27 WeakPolarHBondContact O-CD1 3Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.64Å; A23-V33 HydrophobicContact CB-CG1 3.98Å; A23-I35 HydrophobicContact CB-CG2 4.42Å; A23-L50 HydrophobicContact CB-CD1 3.94Å
24E94.7Very high94.6Very high76 Ų7631.1 Ų31.136%0.35517%0.169SC..Hα-helixtrans-58.2-46.3177.8-72.2172.2160.200111.5K20 N28 L50K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 HydrophobicContact CG-CG 4.45Å; K20-E24 IonicContact NZ-OE1 2.64Å; K20-E24 PolarHBondContact O-N 2.95Å; E24-N28 WeakPolarHBondContact O-CB 3.05Å; E24-N28 PolarHBondContact O-N 3.35Å; E24-N28 PolarHBondContact O-ND2 3.02Å; E24-N28 VanDerWaalsContact O-ND2 3.17Å; E24-L50 HydrophobicContact CG-CD2 3.83Å
25H96Very high94.6Very high42 Ų4231.1 Ų31.119%0.19417%0.169CC..Hα-helixtrans-63.1-48.1-179.6-170.575.8000112.6G21 C22 A23 N28 L29 A228 Q232G21-H25 VanDerWaalsContact O-CB 3.24Å; G21-H25 WeakPolarHBondContact O-CB 3.45Å; G21-H25 PolarHBondContact O-N 3.07Å; C22-H25 PolarHBondContact O-N 3.14Å; A23-H25 PolarHBondContact O-N 3.4Å; H25-N28 PolarHBondContact O-N 3.22Å; H25-L29 WeakPolarHBondContact NE2-CD1 3.47Å; H25-L29 WeakPolarHBondContact O-CG 3.48Å; H25-L29 PolarHBondContact O-N 2.89Å; H25-A228 HydrophobicContact CB-CB 3.53Å; H25-Q232 PolarHBondContact NE2-OE1 2.8Å
26L95.6Very high94.6Very high1 Ų130.8 Ų30.81%0.00517%0.166CC..Hα-helixtrans-67.3-38.6-179-71.9175.2000112.3L4 A9 I11 C22 A23 L29 G30 S31 V33 I83 I235L4-L26 HydrophobicContact CD2-CD2 4.41Å; A9-L26 HydrophobicContact CB-CD1 3.82Å; I11-L26 HydrophobicContact CD1-CD1 4.24Å; C22-L26 WeakPolarHBondContact O-CB 3.28Å; C22-L26 VanDerWaalsContact O-CG 3.32Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 3.19Å; A23-L26 PolarHBondContact O-N 2.9Å; L26-L29 CarbonylContact O-C 3.6Å; L26-L29 PolarHBondContact O-N 2.77Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L26-G30 PolarHBondContact O-N 3.44Å; L26-S31 WeakPolarHBondContact O-CB 3.26Å; L26-S31 PolarHBondContact O-N 2.83Å; L26-S31 PolarHBondContact O-OG 2.75Å; L26-V33 HydrophobicContact CB-CG2 4.14Å; L26-I83 HydrophobicContact CD1-CD1 3.8Å; L26-I235 HydrophobicContact CD2-CD1 4.1Å
27L93.7Very high94.6Very high44 Ų4429 Ų2923%0.2315%0.152CC..Hα-helixtrans-62.4-43.2174.4-72.5166.8000111.5A23 L29 G30 V33 L50 T53A23-L27 WeakPolarHBondContact O-CB 3.48Å; A23-L27 WeakPolarHBondContact O-CD1 3Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.64Å; L27-L29 PolarHBondContact O-N 3.13Å; L27-G30 PolarHBondContact O-N 2.99Å; L27-V33 HydrophobicContact CD1-CB 4.5Å; L27-V33 HydrophobicContact CD1-CG2 4.49Å; L27-V33 HydrophobicContact CD2-CB 4.14Å; L27-V33 HydrophobicContact CD2-CG2 4Å; L27-V33 HydrophobicContact CG-CB 4.21Å; L27-V33 HydrophobicContact CG-CG2 3.81Å; L27-L50 HydrophobicContact CD1-CB 3.67Å; L27-L50 HydrophobicContact CD1-CD1 3.82Å; L27-L50 HydrophobicContact CD1-CD2 3.75Å; L27-L50 HydrophobicContact CD1-CG 3.92Å; L27-T53 HydrophobicContact CD1-CG2 4.33Å
28N94.2Very high94.3Very high141 Ų14131.7 Ų31.775%0.75416%0.162SC*.Hα-helixtrans-61.4-25.5175.1-72.7-24.2000113E24 H25 G30E24-N28 WeakPolarHBondContact O-CB 3.05Å; E24-N28 PolarHBondContact O-N 3.35Å; E24-N28 PolarHBondContact O-ND2 3.02Å; E24-N28 VanDerWaalsContact O-ND2 3.17Å; H25-N28 PolarHBondContact O-N 3.22Å; N28-G30 VanDerWaalsContact C-N 3.32Å
29L95Very high93.7Very high47 Ų4734.7 Ų34.725%0.24618%0.183CC..THydrogen-bonded Turntrans-89.56.9175.5-65.1172.1000113.5M1 L4 H25 L26 L27M1-L29 HydrophobicContact SD-CD2 4.4Å; L4-L29 HydrophobicContact CB-CB 4.27Å; L4-L29 HydrophobicContact CD1-CB 4.14Å; L4-L29 HydrophobicContact CD1-CD1 3.45Å; L4-L29 VanDerWaalsContact CD1-CD1 3.45Å; L4-L29 HydrophobicContact CD1-CG 4.32Å; H25-L29 WeakPolarHBondContact NE2-CD1 3.47Å; H25-L29 WeakPolarHBondContact O-CG 3.48Å; H25-L29 PolarHBondContact O-N 2.89Å; L26-L29 CarbonylContact O-C 3.6Å; L26-L29 PolarHBondContact O-N 2.77Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L27-L29 PolarHBondContact O-N 3.13Å
30G94Very high93.2Very high16 Ų1640.7 Ų40.717%0.16522%0.22CC..THydrogen-bonded Turntrans8412176.900000114.6Q5 G6 L26 L27 N28Q5-G30 PolarHBondContact NE2-O 2.87Å; Q5-G30 VanDerWaalsContact NE2-O 3.14Å; G6-G30 PolarHBondContact N-O 3.41Å; L26-G30 PolarHBondContact O-N 3.44Å; L27-G30 PolarHBondContact O-N 2.99Å; N28-G30 VanDerWaalsContact C-N 3.32Å
31S95.2Very high92.9Very high3 Ų338.7 Ų38.72%0.02122%0.215CC..  trans-73.2172.3172.3-53.20000111.1L4 L7 L26L4-S31 PolarHBondContact O-OG 3.05Å; L7-S31 CarbonylContact O-C 3.57Å; L7-S31 WeakPolarHBondContact O-CA 3.37Å; L7-S31 WeakPolarHBondContact O-CB 3.3Å; L26-S31 WeakPolarHBondContact O-CB 3.26Å; L26-S31 PolarHBondContact O-N 2.83Å; L26-S31 PolarHBondContact O-OG 2.75Å
32K94Very high92.4Very high99 Ų9943.6 Ų43.643%0.4324%0.24SC..EExtended strand (participates in β ladder)trans-113.2138.7170-55.7-57.4178.1-173.50108.4L7 V8 A9 F76L7-K32 PolarHBondContact O-N 3.01Å; V8-K32 CarbonylContact C-O 3.44Å; V8-K32 WeakPolarHBondContact CA-O 3.44Å; V8-K32 HydrophobicContact CG2-CB 4.12Å; A9-K32 PolarHBondContact N-O 3.17Å; K32-F76 HydrophobicContact CB-CD1 3.93Å; K32-F76 HydrophobicContact CB-CD2 4.24Å; K32-F76 HydrophobicContact CB-CE1 3.71Å; K32-F76 HydrophobicContact CB-CE2 4.04Å; K32-F76 HydrophobicContact CB-CG 4.19Å; K32-F76 HydrophobicContact CB-CZ 3.78Å; K32-F76 HydrophobicContact CD-CD1 4.43Å; K32-F76 HydrophobicContact CD-CE1 3.89Å; K32-F76 HydrophobicContact CD-CZ 4.46Å; K32-F76 HydrophobicContact CG-CD1 3.84Å; K32-F76 HydrophobicContact CG-CE1 3.73Å; K32-F76 HydrophobicContact CG-CG 4.49Å; K32-F76 HydrophobicContact CG-CZ 4.3Å
33V93.6Very high91.8Very high2 Ų243.6 Ų43.61%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-128.5137.1-174.3176.50000109.9A9 I11 A23 L26 L27 I35 T53A9-V33 CarbonylContact O-C 3.48Å; A9-V33 WeakPolarHBondContact O-CA 3.32Å; I11-V33 HydrophobicContact CD1-CG1 3.74Å; I11-V33 HydrophobicContact CD1-CG2 4.42Å; I11-V33 HydrophobicContact CG1-CG1 4.12Å; A23-V33 HydrophobicContact CB-CG1 3.98Å; L26-V33 HydrophobicContact CB-CG2 4.14Å; L27-V33 HydrophobicContact CD1-CB 4.5Å; L27-V33 HydrophobicContact CD1-CG2 4.49Å; L27-V33 HydrophobicContact CD2-CB 4.14Å; L27-V33 HydrophobicContact CD2-CG2 4Å; L27-V33 HydrophobicContact CG-CB 4.21Å; L27-V33 HydrophobicContact CG-CG2 3.81Å; V33-I35 HydrophobicContact CG1-CG2 3.86Å; V33-T53 HydrophobicContact CB-CG2 4.17Å; V33-T53 VanDerWaalsContact O-CB 3.27Å; V33-T53 WeakPolarHBondContact O-CB 3.38Å; V33-T53 WeakPolarHBondContact O-CG2 3.43Å
34V93Very high91.3Very high0 Ų050 Ų500%027%0.267CS..EExtended strand (participates in β ladder)trans-114.5134.9162.3173.90000107.2A9 L10 I11 L71 F76A9-V34 PolarHBondContact O-N 3.17Å; L10-V34 WeakPolarHBondContact CA-O 3.45Å; L10-V34 HydrophobicContact CD1-CB 3.95Å; L10-V34 HydrophobicContact CD1-CG1 3.64Å; I11-V34 PolarHBondContact N-O 3.28Å; V34-L71 HydrophobicContact CG1-CD2 3.52Å; V34-L71 HydrophobicContact CG1-CG 4.35Å; V34-L71 HydrophobicContact CG2-CD2 4.25Å; V34-L71 HydrophobicContact CG2-CG 4.37Å; V34-F76 HydrophobicContact CG2-CD2 4.37Å; V34-F76 HydrophobicContact CG2-CE2 3.87Å
35I92.3Very high90.9Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-107.4142.1177.164.8173.7000111I11 A23 V33 V46 A47 D54 V55 A56I11-I35 WeakPolarHBondContact O-CA 3.33Å; A23-I35 HydrophobicContact CB-CG2 4.42Å; V33-I35 HydrophobicContact CG1-CG2 3.86Å; I35-V46 HydrophobicContact CD1-CB 4.42Å; I35-V46 HydrophobicContact CD1-CG1 4.26Å; I35-A47 HydrophobicContact CD1-CB 4Å; I35-A47 HydrophobicContact CG1-CB 4.49Å; I35-D54 PolarHBondContact N-O 3.1Å; I35-V55 HydrophobicContact CD1-CG2 3.94Å; I35-V55 HydrophobicContact CG1-CB 4.44Å; I35-V55 HydrophobicContact CG1-CG1 4.37Å; I35-V55 HydrophobicContact CG1-CG2 3.85Å; I35-V55 WeakPolarHBondContact O-CA 3.35Å; I35-A56 PolarHBondContact O-N 2.62Å
36L92.1Very high90.5Very high0 Ų050.9 Ų50.90%027%0.272CS..EExtended strand (participates in β ladder)trans-123.5121173.5172.260.2000107.9L10 I11 A12 G13 A56 V59 V65 A68 L122L10-L36 HydrophobicContact CD1-CB 4.27Å; I11-L36 PolarHBondContact O-N 2.95Å; A12-L36 CarbonylContact C-O 3.57Å; A12-L36 VanDerWaalsContact CA-O 3.22Å; A12-L36 WeakPolarHBondContact CA-O 3.38Å; A12-L36 HydrophobicContact CB-CB 4.4Å; A12-L36 HydrophobicContact CB-CD2 4.41Å; G13-L36 PolarHBondContact N-O 3.33Å; L36-A56 WeakPolarHBondContact CA-O 3.41Å; L36-A56 HydrophobicContact CD1-CB 3.81Å; L36-A56 WeakPolarHBondContact CD1-O 3.25Å; L36-V59 HydrophobicContact CD2-CG1 3.69Å; L36-V59 HydrophobicContact CG-CG1 3.98Å; L36-V65 HydrophobicContact CD2-CG2 4.23Å; L36-A68 HydrophobicContact CD2-CB 4.35Å; L36-L122 HydrophobicContact CD2-CD1 4Å; L36-L122 HydrophobicContact CD2-CD2 4.18Å
37D92Very high90Very high19 Ų1951 Ų5110%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-146.2-174.4-178-146.2-59.4000111.2G13 G14 A15 S41 A56 F57 Q58G13-D37 VanDerWaalsContact CA-OD2 3.27Å; G13-D37 WeakPolarHBondContact CA-OD2 3.4Å; G14-D37 PolarHBondContact N-OD2 2.9Å; A15-D37 WeakPolarHBondContact CA-OD2 3.5Å; A15-D37 HydrophobicContact CB-CB 3.87Å; A15-D37 WeakPolarHBondContact CB-OD2 3.32Å; A15-D37 PolarHBondContact N-OD2 3.15Å; D37-S41 WeakPolarHBondContact CB-OG 3.1Å; D37-S41 WeakPolarHBondContact OD1-CB 3.14Å; D37-A56 PolarHBondContact N-O 2.9Å; D37-F57 CarbonylContact O-C 3.53Å; D37-F57 WeakPolarHBondContact O-CA 3.31Å; D37-Q58 PolarHBondContact O-N 3.22Å
38L88.7Confident89.5Confident73 Ų7355.9 Ų55.938%0.38230%0.295SS..  trans-71.3148.8176.9-61.9174.8000110.9T40 S41 F57L38-T40 PolarHBondContact O-N 3.36Å; L38-T40 VanDerWaalsContact O-N 3.13Å; L38-S41 VanDerWaalsContact O-CB 3.23Å; L38-S41 WeakPolarHBondContact O-CB 3.36Å; L38-S41 PolarHBondContact O-N 3.41Å; L38-S41 PolarHBondContact O-OG 3.4Å; L38-F57 WeakPolarHBondContact O-CD1 3.26Å
39P84.6Confident88.9Confident84 Ų8452.5 Ų52.555%0.54529%0.287SS..THydrogen-bonded Turntrans-54.3-30.4171-21.427.8000113.7S41 F57P39-S41 VanDerWaalsContact C-N 3.32Å; P39-F57 VanDerWaalsContact CA-CD1 3.46Å; P39-F57 HydrophobicContact CB-CB 4.39Å; P39-F57 HydrophobicContact CB-CD1 4.42Å; P39-F57 HydrophobicContact CB-CG 4.45Å; P39-F57 HydrophobicContact CG-CB 3.83Å; P39-F57 HydrophobicContact CG-CG 4.4Å
40T85.3Confident88.2Confident128 Ų12851.6 Ų51.679%0.78528%0.282SS*.THydrogen-bonded Turntrans-85.9-0.4179.555.90000113.7L38L38-T40 PolarHBondContact O-N 3.36Å; L38-T40 VanDerWaalsContact O-N 3.13Å
41S87.7Confident86.8Confident30 Ų3058.9 Ų58.921%0.2131%0.311CS..SBendtrans-78.9167.8178.173.60000111.6D37 L38 P39 G43D37-S41 WeakPolarHBondContact CB-OG 3.1Å; D37-S41 WeakPolarHBondContact OD1-CB 3.14Å; L38-S41 VanDerWaalsContact O-CB 3.23Å; L38-S41 WeakPolarHBondContact O-CB 3.36Å; L38-S41 PolarHBondContact O-N 3.41Å; L38-S41 PolarHBondContact O-OG 3.4Å; P39-S41 VanDerWaalsContact C-N 3.32Å; S41-G43 PolarHBondContact O-N 3.04Å; S41-G43 VanDerWaalsContact O-N 3.09Å; S41-G43 PolarHBondContact OG-N 3.24Å; S41-G43 VanDerWaalsContact OG-N 3.09Å
42N85.8Confident84.8Confident110 Ų11065.9 Ų65.959%0.58834%0.344SS*.SBendtrans-77.421.2168.8-65.5-11.4000112.5K44 Q45 V46N42-K44 VanDerWaalsContact C-N 3.3Å; N42-K44 PolarHBondContact O-N 2.95Å; N42-Q45 WeakPolarHBondContact O-CB 3.39Å; N42-Q45 PolarHBondContact O-N 3.27Å; N42-Q45 VanDerWaalsContact O-N 3.07Å; N42-V46 PolarHBondContact O-N 3.05Å
43G86.4Confident83.2Confident0 Ų061.8 Ų61.80%033%0.327CS..Hα-helixtrans-50.7-46-174.200000113.2S41 Q45 V46 A47 V55S41-G43 PolarHBondContact O-N 3.04Å; S41-G43 VanDerWaalsContact O-N 3.09Å; S41-G43 PolarHBondContact OG-N 3.24Å; S41-G43 VanDerWaalsContact OG-N 3.09Å; G43-Q45 PolarHBondContact O-N 2.99Å; G43-V46 PolarHBondContact O-N 3.21Å; G43-A47 VanDerWaalsContact O-CB 3.25Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 2.86Å; G43-V55 WeakPolarHBondContact O-CG2 3.42Å
44K84.4Confident81.7Confident135 Ų13563.5 Ų63.559%0.58734%0.336SS*.Hα-helixtrans-59-47.5178.1-65.1-173.2178-178.40112.7N42 V46 A47 E48 F57N42-K44 VanDerWaalsContact C-N 3.3Å; N42-K44 PolarHBondContact O-N 2.95Å; K44-V46 PolarHBondContact O-N 2.99Å; K44-A47 PolarHBondContact O-N 3.3Å; K44-E48 WeakPolarHBondContact O-CG 3.37Å; K44-E48 PolarHBondContact O-N 3.12Å; K44-F57 HydrophobicContact CD-CZ 4.47Å; K44-F57 HydrophobicContact CG-CZ 3.93Å
45Q86.4Confident80.1Confident124 Ų12464.9 Ų64.958%0.57934%0.344SS*.Hα-helixtrans-63.6-41.9178.9-175.3-174.122.100111.7N42 G43 A47 A49N42-Q45 WeakPolarHBondContact O-CB 3.39Å; N42-Q45 PolarHBondContact O-N 3.27Å; N42-Q45 VanDerWaalsContact O-N 3.07Å; G43-Q45 PolarHBondContact O-N 2.99Å; Q45-A47 VanDerWaalsContact C-N 3.34Å; Q45-A49 WeakPolarHBondContact O-CB 3.24Å; Q45-A49 PolarHBondContact O-N 2.94Å
46V86.6Confident78.7Confident13 Ų1365.1 Ų65.18%0.07935%0.347CS..Hα-helixtrans-64.1-44176.2173.30000110.1A15 K20 I35 N42 G43 K44 E48 A49 L50A15-V46 HydrophobicContact CB-CG2 4.46Å; K20-V46 HydrophobicContact CD-CG1 4.43Å; K20-V46 HydrophobicContact CD-CG2 4.43Å; K20-V46 HydrophobicContact CG-CG1 4.43Å; I35-V46 HydrophobicContact CD1-CB 4.42Å; I35-V46 HydrophobicContact CD1-CG1 4.26Å; N42-V46 PolarHBondContact O-N 3.05Å; G43-V46 PolarHBondContact O-N 3.21Å; K44-V46 PolarHBondContact O-N 2.99Å; V46-E48 PolarHBondContact O-N 3.11Å; V46-A49 PolarHBondContact O-N 3.42Å; V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.26Å; V46-L50 WeakPolarHBondContact O-CB 3.2Å; V46-L50 VanDerWaalsContact O-CG 3.23Å; V46-L50 WeakPolarHBondContact O-CG 3.38Å; V46-L50 PolarHBondContact O-N 3.38Å
47A85Confident77.6Confident4 Ų467.3 Ų67.33%0.03336%0.356CS..Hα-helixtrans-63.3-41179.800000113.9I35 G43 K44 Q45 L50 T53 V55I35-A47 HydrophobicContact CD1-CB 4Å; I35-A47 HydrophobicContact CG1-CB 4.49Å; G43-A47 VanDerWaalsContact O-CB 3.25Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 2.86Å; K44-A47 PolarHBondContact O-N 3.3Å; Q45-A47 VanDerWaalsContact C-N 3.34Å; A47-L50 PolarHBondContact O-N 3.22Å; A47-T53 WeakPolarHBondContact CA-OG1 3.4Å; A47-T53 VanDerWaalsContact CB-O 3.29Å; A47-T53 WeakPolarHBondContact CB-O 3.46Å; A47-T53 VanDerWaalsContact CB-OG1 3.24Å; A47-T53 WeakPolarHBondContact CB-OG1 3.32Å; A47-T53 PolarHBondContact O-OG1 2.91Å; A47-V55 HydrophobicContact CB-CG2 3.27Å
48E84.2Confident76.5Confident146 Ų14669.3 Ų69.368%0.68237%0.365SS*.Hα-helixtrans-62.8-45.1172.7-74.1169.4-173.700111.3K44 V46 L50 H51K44-E48 WeakPolarHBondContact O-CG 3.37Å; K44-E48 PolarHBondContact O-N 3.12Å; V46-E48 PolarHBondContact O-N 3.11Å; E48-L50 PolarHBondContact O-N 2.94Å; E48-H51 PolarHBondContact O-N 3.49Å
49A81.1Confident75.7Confident70 Ų7066.2 Ų66.258%0.57935%0.349SS*.Hα-helixtrans-65.7-25.7178.800000113.3Q45 V46 H51Q45-A49 WeakPolarHBondContact O-CB 3.24Å; Q45-A49 PolarHBondContact O-N 2.94Å; V46-A49 PolarHBondContact O-N 3.42Å; A49-H51 VanDerWaalsContact C-N 3.31Å
50L79.9Confident75.4Confident27 Ų2764 Ų6414%0.14133%0.334CS..THydrogen-bonded Turntrans-88.611.3179-68.9-179.4000114A23 E24 L27 V46 A47 E48 T53A23-L50 HydrophobicContact CB-CD1 3.94Å; E24-L50 HydrophobicContact CG-CD2 3.83Å; L27-L50 HydrophobicContact CD1-CB 3.67Å; L27-L50 HydrophobicContact CD1-CD1 3.82Å; L27-L50 HydrophobicContact CD1-CD2 3.75Å; L27-L50 HydrophobicContact CD1-CG 3.92Å; V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.26Å; V46-L50 WeakPolarHBondContact O-CB 3.2Å; V46-L50 VanDerWaalsContact O-CG 3.23Å; V46-L50 WeakPolarHBondContact O-CG 3.38Å; V46-L50 PolarHBondContact O-N 3.38Å; A47-L50 PolarHBondContact O-N 3.22Å; E48-L50 PolarHBondContact O-N 2.94Å; L50-T53 HydrophobicContact CB-CG2 4.11Å
51H63.7Low75.5Confident169 Ų16959.4 Ų59.478%0.78231%0.307SS*.THydrogen-bonded Turntrans59.472.6176.7-59.1-67.6000114.4E48 A49E48-H51 PolarHBondContact O-N 3.49Å; A49-H51 VanDerWaalsContact C-N 3.31Å
52E53.8Low75.7Confident151 Ų15163.7 Ų63.771%0.70632%0.324SS*.SBendtrans75.245.7172.5-50.7-175.4174.200116.1
53T60.4Low76Confident12 Ų1264.8 Ų64.87%0.07432%0.324CS..  trans-87.5142.515567.10000108.1L27 V33 A47 L50L27-T53 HydrophobicContact CD1-CG2 4.33Å; V33-T53 HydrophobicContact CB-CG2 4.17Å; V33-T53 VanDerWaalsContact O-CB 3.27Å; V33-T53 WeakPolarHBondContact O-CB 3.38Å; V33-T53 WeakPolarHBondContact O-CG2 3.43Å; A47-T53 WeakPolarHBondContact CA-OG1 3.4Å; A47-T53 VanDerWaalsContact CB-O 3.29Å; A47-T53 WeakPolarHBondContact CB-O 3.46Å; A47-T53 VanDerWaalsContact CB-OG1 3.24Å; A47-T53 WeakPolarHBondContact CB-OG1 3.32Å; A47-T53 PolarHBondContact O-OG1 2.91Å; L50-T53 HydrophobicContact CB-CG2 4.11Å
54D61.6Low76.1Confident39 Ų3966.4 Ų66.421%0.20933%0.332CS..  trans-97.8159.4166.8-11.4-120.4000112.6I35 L71 R75I35-D54 PolarHBondContact N-O 3.1Å; D54-L71 HydrophobicContact CB-CD1 3.85Å; D54-L71 HydrophobicContact CB-CD2 3.29Å; D54-L71 HydrophobicContact CB-CG 4Å; D54-L71 WeakPolarHBondContact OD2-CD1 3.42Å; D54-L71 WeakPolarHBondContact OD2-CD2 3.44Å; D54-L71 VanDerWaalsContact OD2-CG 3.27Å; D54-L71 WeakPolarHBondContact OD2-CG 3.44Å; D54-R75 IonicContact OD1-CZ 2.83Å; D54-R75 IonicContact OD1-NE 3.1Å; D54-R75 PolarHBondContact OD1-NE 3.31Å; D54-R75 VanDerWaalsContact OD1-NE 3.16Å; D54-R75 IonicContact OD1-NH2 3.17Å; D54-R75 PolarHBondContact OD1-NH2 3.03Å; D54-R75 IonicContact OD2-CZ 3.16Å; D54-R75 IonicContact OD2-NE 3.74Å; D54-R75 PolarHBondContact OD2-NE 3.27Å; D54-R75 IonicContact OD2-NH2 2.7Å
55V60.3Low76.5Confident28 Ų2860 Ų6017%0.1730%0.304CS..EExtended strand (participates in β ladder)trans-116.1119.9-172.5-169.30000108.8I35 G43 A47 F57I35-V55 HydrophobicContact CD1-CG2 3.94Å; I35-V55 HydrophobicContact CG1-CB 4.44Å; I35-V55 HydrophobicContact CG1-CG1 4.37Å; I35-V55 HydrophobicContact CG1-CG2 3.85Å; I35-V55 WeakPolarHBondContact O-CA 3.35Å; G43-V55 WeakPolarHBondContact O-CG2 3.42Å; A47-V55 HydrophobicContact CB-CG2 3.27Å; V55-F57 HydrophobicContact CB-CE1 4.29Å; V55-F57 HydrophobicContact CB-CE2 4.42Å; V55-F57 HydrophobicContact CB-CZ 3.95Å; V55-F57 HydrophobicContact CG1-CD1 3.85Å; V55-F57 HydrophobicContact CG1-CE1 3.31Å; V55-F57 HydrophobicContact CG1-CE2 4.15Å; V55-F57 HydrophobicContact CG1-CZ 3.47Å; V55-F57 VanDerWaalsContact CG1-CZ 3.47Å
56A61.9Low76.9Confident6 Ų659.1 Ų59.15%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-97.7163.3159.500000109.3I35 L36 D37 A68I35-A56 PolarHBondContact O-N 2.62Å; L36-A56 WeakPolarHBondContact CA-O 3.41Å; L36-A56 HydrophobicContact CD1-CB 3.81Å; L36-A56 WeakPolarHBondContact CD1-O 3.25Å; D37-A56 PolarHBondContact N-O 2.9Å; A56-A68 HydrophobicContact CB-CB 3.45Å; A56-A68 VanDerWaalsContact CB-CB 3.45Å
57F70.7Confident77.1Confident46 Ų4662.7 Ų62.720%0.20232%0.316CS..EExtended strand (participates in β ladder)trans-129.7127.2-170.6-62.1-73000114.9D37 L38 P39 K44 V55 D64D37-F57 CarbonylContact O-C 3.53Å; D37-F57 WeakPolarHBondContact O-CA 3.31Å; L38-F57 WeakPolarHBondContact O-CD1 3.26Å; P39-F57 VanDerWaalsContact CA-CD1 3.46Å; P39-F57 HydrophobicContact CB-CB 4.39Å; P39-F57 HydrophobicContact CB-CD1 4.42Å; P39-F57 HydrophobicContact CB-CG 4.45Å; P39-F57 HydrophobicContact CG-CB 3.83Å; P39-F57 HydrophobicContact CG-CG 4.4Å; K44-F57 HydrophobicContact CD-CZ 4.47Å; K44-F57 HydrophobicContact CG-CZ 3.93Å; V55-F57 HydrophobicContact CB-CE1 4.29Å; V55-F57 HydrophobicContact CB-CE2 4.42Å; V55-F57 HydrophobicContact CB-CZ 3.95Å; V55-F57 HydrophobicContact CG1-CD1 3.85Å; V55-F57 HydrophobicContact CG1-CE1 3.31Å; V55-F57 HydrophobicContact CG1-CE2 4.15Å; V55-F57 HydrophobicContact CG1-CZ 3.47Å; V55-F57 VanDerWaalsContact CG1-CZ 3.47Å; F57-D64 WeakPolarHBondContact O-CB 3.45Å
58Q67.6Low77.4Confident61 Ų6162.5 Ų62.529%0.28531%0.314SS..  trans80.8102.5173.9-165.897.9-2000117.3D37 T60 S61D37-Q58 PolarHBondContact O-N 3.22Å; Q58-T60 WeakPolarHBondContact CG-OG1 3.39Å; Q58-T60 PolarHBondContact NE2-OG1 3.17Å; Q58-T60 PolarHBondContact O-N 2.83Å; Q58-T60 VanDerWaalsContact O-N 3.16Å; Q58-S61 PolarHBondContact O-N 2.73Å
59V73.1Confident78Confident8 Ų856 Ų565%0.04829%0.285CS..THydrogen-bonded Turntrans-61.8-22.7174.9-64.10000115.4A12 L36 S61 A86 N121 L122A12-V59 HydrophobicContact CB-CG1 3.69Å; L36-V59 HydrophobicContact CD2-CG1 3.69Å; L36-V59 HydrophobicContact CG-CG1 3.98Å; V59-S61 VanDerWaalsContact C-N 3.28Å; V59-S61 PolarHBondContact O-N 3.44Å; V59-A86 HydrophobicContact CG1-CB 3.91Å; V59-A86 HydrophobicContact CG2-CB 4.23Å; V59-N121 PolarHBondContact O-ND2 2.88Å; V59-L122 HydrophobicContact CG1-CD2 4.32Å
60T77.9Confident78.6Confident36 Ų3655.7 Ų55.722%0.22127%0.273CS..THydrogen-bonded Turntrans-81.6-7-178.564.50000113.7Q58 K113 V114Q58-T60 WeakPolarHBondContact CG-OG1 3.39Å; Q58-T60 PolarHBondContact NE2-OG1 3.17Å; Q58-T60 PolarHBondContact O-N 2.83Å; Q58-T60 VanDerWaalsContact O-N 3.16Å; T60-K113 HydrophobicContact CG2-CG 4.46Å; T60-V114 HydrophobicContact CG2-CG2 4.19Å
61S87.5Confident79.1Confident33 Ų3355.9 Ų55.923%0.23127%0.274CS..  trans-101.8126.3-180174.50000108.9Q58 V59 K63 D64 V65 N121Q58-S61 PolarHBondContact O-N 2.73Å; V59-S61 VanDerWaalsContact C-N 3.28Å; V59-S61 PolarHBondContact O-N 3.44Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-D64 WeakPolarHBondContact CB-OD2 3.29Å; S61-D64 PolarHBondContact O-N 3.26Å; S61-D64 VanDerWaalsContact OG-CG 3.22Å; S61-D64 PolarHBondContact OG-N 3.39Å; S61-D64 PolarHBondContact OG-OD2 3.33Å; S61-V65 WeakPolarHBondContact O-CG2 3.38Å; S61-V65 PolarHBondContact O-N 3.44Å; S61-N121 PolarHBondContact O-ND2 2.9Å
62E91.3Very high80.5Confident120 Ų12047.8 Ų47.856%0.56124%0.237SC*.Hα-helixtrans-65.3-42.1179-56.3-162.4168.300111.3D64 V65 E66 R124 Q125E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.17Å; E62-V65 PolarHBondContact O-N 3.04Å; E62-E66 PolarHBondContact O-N 3.01Å; E62-R124 IonicContact OE1-CZ 3.63Å; E62-R124 IonicContact OE1-NH2 3.45Å; E62-R124 PolarHBondContact OE1-NH2 3.46Å; E62-R124 IonicContact OE2-NH2 2.76Å; E62-R124 PolarHBondContact OE2-NH2 3.03Å; E62-R124 VanDerWaalsContact OE2-NH2 3.16Å; E62-Q125 PolarHBondContact O-NE2 2.92Å; E62-Q125 PolarHBondContact O-OE1 2.88Å
63K91.2Very high82.5Confident133 Ų13345.3 Ų45.358%0.57822%0.221SC*.Hα-helixtrans-57.9-46177.7-178.9-175.1170-165.80111.6S61 V65 E66 E67S61-K63 VanDerWaalsContact C-N 3.32Å; K63-V65 VanDerWaalsContact C-N 3.34Å; K63-V65 PolarHBondContact O-N 3.44Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.25Å; K63-E67 WeakPolarHBondContact CE-OE1 3.4Å; K63-E67 IonicContact NZ-OE1 3.92Å; K63-E67 WeakPolarHBondContact O-CG 3.37Å; K63-E67 PolarHBondContact O-N 3.29Å
64D90.2Very high84Confident34 Ų3449.1 Ų49.118%0.18225%0.248CC..Hα-helixtrans-74.4-29.8-175.1-55.8-37.1000112.3F57 S61 E62 A68F57-D64 WeakPolarHBondContact O-CB 3.45Å; S61-D64 WeakPolarHBondContact CB-OD2 3.29Å; S61-D64 PolarHBondContact O-N 3.26Å; S61-D64 VanDerWaalsContact OG-CG 3.22Å; S61-D64 PolarHBondContact OG-N 3.39Å; S61-D64 PolarHBondContact OG-OD2 3.33Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.17Å; D64-A68 PolarHBondContact O-N 2.98Å
65V93Very high85.4Confident0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-64.8-43.9168.1168.50000110.6L36 S61 E62 K63 E67 A68 L69 L122 Q125L36-V65 HydrophobicContact CD2-CG2 4.23Å; S61-V65 WeakPolarHBondContact O-CG2 3.38Å; S61-V65 PolarHBondContact O-N 3.44Å; E62-V65 PolarHBondContact O-N 3.04Å; K63-V65 VanDerWaalsContact C-N 3.34Å; K63-V65 PolarHBondContact O-N 3.44Å; V65-E67 VanDerWaalsContact C-N 3.34Å; V65-E67 PolarHBondContact O-N 2.8Å; V65-A68 WeakPolarHBondContact O-CB 3.37Å; V65-A68 PolarHBondContact O-N 2.89Å; V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.28Å; V65-L122 HydrophobicContact CG1-CD1 3.76Å; V65-L122 HydrophobicContact CG2-CD1 4.19Å; V65-Q125 HydrophobicContact CG1-CB 3.72Å; V65-Q125 HydrophobicContact CG1-CG 4.13Å
66E93.4Very high87Confident106 Ų10654.6 Ų54.650%0.49526%0.264SS..Hα-helixtrans-61.2-42176-175.3-179.5-17200111.7E62 K63 A68 L69 N70E62-E66 PolarHBondContact O-N 3.01Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.25Å; E66-A68 PolarHBondContact O-N 2.86Å; E66-L69 PolarHBondContact O-N 2.99Å; E66-N70 WeakPolarHBondContact O-CB 3.37Å; E66-N70 PolarHBondContact O-N 3.41Å; E66-N70 PolarHBondContact O-ND2 2.79Å
67E91.2Very high88.5Confident87 Ų8756.9 Ų56.941%0.40729%0.288SS..Hα-helixtrans-59.5-44.1173.5-73.5-179.9-175.300111.6K63 V65 L69 N70 L71K63-E67 WeakPolarHBondContact CE-OE1 3.4Å; K63-E67 IonicContact NZ-OE1 3.92Å; K63-E67 WeakPolarHBondContact O-CG 3.37Å; K63-E67 PolarHBondContact O-N 3.29Å; V65-E67 VanDerWaalsContact C-N 3.34Å; V65-E67 PolarHBondContact O-N 2.8Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.23Å; E67-N70 PolarHBondContact O-N 2.92Å; E67-L71 WeakPolarHBondContact O-CB 3.38Å; E67-L71 PolarHBondContact O-N 2.96Å
68A92.1Very high89.7Confident0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-60.6-38.6175.800000112.8L10 L36 A56 D64 V65 E66 L71 C72L10-A68 HydrophobicContact CD1-CB 4.09Å; L10-A68 HydrophobicContact CD2-CB 4.27Å; L36-A68 HydrophobicContact CD2-CB 4.35Å; A56-A68 HydrophobicContact CB-CB 3.45Å; A56-A68 VanDerWaalsContact CB-CB 3.45Å; D64-A68 PolarHBondContact O-N 2.98Å; V65-A68 WeakPolarHBondContact O-CB 3.37Å; V65-A68 PolarHBondContact O-N 2.89Å; E66-A68 PolarHBondContact O-N 2.86Å; A68-L71 WeakPolarHBondContact O-CB 3.25Å; A68-C72 PolarHBondContact O-N 3.42Å; A68-C72 PolarHBondContact O-SG 3.07Å
69L95Very high91.1Very high11 Ų1155 Ų556%0.05828%0.279CS..Hα-helixtrans-73.9-41.2178.4-67.9170.1000111.7L10 V65 E66 E67 L71 C72 R73 L79 Q125 L129L10-L69 HydrophobicContact CD2-CD2 3.86Å; L10-L69 HydrophobicContact CD2-CG 4.49Å; V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.28Å; E66-L69 PolarHBondContact O-N 2.99Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.23Å; L69-L71 PolarHBondContact O-N 3.18Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 3.29Å; L69-R73 WeakPolarHBondContact O-CB 3.24Å; L69-R73 PolarHBondContact O-N 3.15Å; L69-L79 HydrophobicContact CD2-CD2 3.8Å; L69-Q125 HydrophobicContact CD1-CB 3.65Å; L69-Q125 WeakPolarHBondContact CD1-O 3.15Å; L69-L129 HydrophobicContact CB-CD2 4.24Å; L69-L129 HydrophobicContact CD2-CD2 4.05Å; L69-L129 WeakPolarHBondContact O-CD2 3.43Å
70N93.8Very high92.3Very high63 Ų6355.3 Ų55.334%0.33728%0.281SS..Hα-helixtrans-61-33.6173.6-79.7-32.7000111.8E66 E67 R73 S74E66-N70 WeakPolarHBondContact O-CB 3.37Å; E66-N70 PolarHBondContact O-N 3.41Å; E66-N70 PolarHBondContact O-ND2 2.79Å; E67-N70 PolarHBondContact O-N 2.92Å; N70-R73 PolarHBondContact O-N 2.89Å; N70-R73 PolarHBondContact OD1-NH1 2.91Å; N70-S74 VanDerWaalsContact O-CB 3.29Å; N70-S74 WeakPolarHBondContact O-CB 3.47Å; N70-S74 PolarHBondContact O-N 3.35Å; N70-S74 PolarHBondContact O-OG 3.21Å
71L91.4Very high93.2Very high30 Ų3053.7 Ų53.716%0.15727%0.271CS..Hα-helixtrans-64.3-49.2172.8-166.263.1000112.4V34 D54 E67 A68 L69 R73 S74 R75V34-L71 HydrophobicContact CG1-CD2 3.52Å; V34-L71 HydrophobicContact CG1-CG 4.35Å; V34-L71 HydrophobicContact CG2-CD2 4.25Å; V34-L71 HydrophobicContact CG2-CG 4.37Å; D54-L71 HydrophobicContact CB-CD1 3.85Å; D54-L71 HydrophobicContact CB-CD2 3.29Å; D54-L71 HydrophobicContact CB-CG 4Å; D54-L71 WeakPolarHBondContact OD2-CD1 3.42Å; D54-L71 WeakPolarHBondContact OD2-CD2 3.44Å; D54-L71 VanDerWaalsContact OD2-CG 3.27Å; D54-L71 WeakPolarHBondContact OD2-CG 3.44Å; E67-L71 WeakPolarHBondContact O-CB 3.38Å; E67-L71 PolarHBondContact O-N 2.96Å; A68-L71 WeakPolarHBondContact O-CB 3.25Å; L69-L71 PolarHBondContact O-N 3.18Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.84Å; L71-S74 PolarHBondContact O-N 3.44Å; L71-S74 PolarHBondContact O-OG 2.9Å; L71-R75 HydrophobicContact CD1-CG 4.04Å; L71-R75 HydrophobicContact CG-CG 4.34Å; L71-R75 VanDerWaalsContact O-CB 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.42Å; L71-R75 WeakPolarHBondContact O-CG 3.47Å; L71-R75 PolarHBondContact O-N 3.09Å
72C93.8Very high93.7Very high0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-56.1-44.7173.9-640000111.3A68 L69 F76 G77 L129A68-C72 PolarHBondContact O-N 3.42Å; A68-C72 PolarHBondContact O-SG 3.07Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 3.29Å; C72-F76 PolarHBondContact O-N 2.97Å; C72-G77 PolarHBondContact O-N 3.2Å; C72-L129 HydrophobicContact CB-CD2 3.83Å
73R94.4Very high94.1Very high98 Ų9846.4 Ų46.437%0.3723%0.233SC..Hα-helixtrans-63-50.7178.6-174.8-175.2-73.6133.6-6.7112L69 N70 L71 G77 L129 E132L69-R73 WeakPolarHBondContact O-CB 3.24Å; L69-R73 PolarHBondContact O-N 3.15Å; N70-R73 PolarHBondContact O-N 2.89Å; N70-R73 PolarHBondContact OD1-NH1 2.91Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.84Å; R73-G77 WeakPolarHBondContact O-CA 3.34Å; R73-G77 PolarHBondContact O-N 3.21Å; R73-L129 HydrophobicContact CB-CD1 4Å; R73-L129 HydrophobicContact CB-CD2 4.45Å; R73-L129 HydrophobicContact CG-CD1 4.23Å; R73-E132 IonicContact CZ-OE1 3.15Å; R73-E132 IonicContact NE-OE1 3.82Å; R73-E132 IonicContact NE-OE2 2.87Å; R73-E132 PolarHBondContact NE-OE2 3.47Å; R73-E132 IonicContact NH2-OE1 2.7Å; R73-E132 PolarHBondContact NH2-OE1 3.28Å; R73-E132 IonicContact NH2-OE2 3.89Å
74S93.2Very high94.4Very high93 Ų9340.1 Ų40.165%0.6521%0.206SC*.Hα-helixtrans-72.3-39.6-175.655.40000113.4N70 L71N70-S74 VanDerWaalsContact O-CB 3.29Å; N70-S74 WeakPolarHBondContact O-CB 3.47Å; N70-S74 PolarHBondContact O-N 3.35Å; N70-S74 PolarHBondContact O-OG 3.21Å; L71-S74 PolarHBondContact O-N 3.44Å; L71-S74 PolarHBondContact O-OG 2.9Å
75R90.7Very high94.6Very high122 Ų12239.6 Ų39.646%0.4621%0.205SC..Hα-helixtrans-77.6-41.6-178.6-72.7-82.1-167.6172-8.1112.7D54 L71D54-R75 IonicContact OD1-CZ 2.83Å; D54-R75 IonicContact OD1-NE 3.1Å; D54-R75 PolarHBondContact OD1-NE 3.31Å; D54-R75 VanDerWaalsContact OD1-NE 3.16Å; D54-R75 IonicContact OD1-NH2 3.17Å; D54-R75 PolarHBondContact OD1-NH2 3.03Å; D54-R75 IonicContact OD2-CZ 3.16Å; D54-R75 IonicContact OD2-NE 3.74Å; D54-R75 PolarHBondContact OD2-NE 3.27Å; D54-R75 IonicContact OD2-NH2 2.7Å; L71-R75 HydrophobicContact CD1-CG 4.04Å; L71-R75 HydrophobicContact CG-CG 4.34Å; L71-R75 VanDerWaalsContact O-CB 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.42Å; L71-R75 WeakPolarHBondContact O-CG 3.47Å; L71-R75 PolarHBondContact O-N 3.09Å
76F93.4Very high94.5Very high59 Ų5940.4 Ų40.426%0.25921%0.211SC..Hα-helixtrans-128-7.5-167.5-50.5-62.5000114.5V8 K32 V34 C72 K78V8-F76 HydrophobicContact CB-CB 4.42Å; V8-F76 HydrophobicContact CG1-CB 4.13Å; V8-F76 HydrophobicContact CG1-CD2 3.7Å; V8-F76 HydrophobicContact CG1-CG 4.19Å; V8-F76 HydrophobicContact CG2-CB 3.41Å; V8-F76 VanDerWaalsContact CG2-CB 3.41Å; V8-F76 HydrophobicContact CG2-CD2 4.21Å; V8-F76 HydrophobicContact CG2-CG 3.85Å; K32-F76 HydrophobicContact CB-CD1 3.93Å; K32-F76 HydrophobicContact CB-CD2 4.24Å; K32-F76 HydrophobicContact CB-CE1 3.71Å; K32-F76 HydrophobicContact CB-CE2 4.04Å; K32-F76 HydrophobicContact CB-CG 4.19Å; K32-F76 HydrophobicContact CB-CZ 3.78Å; K32-F76 HydrophobicContact CD-CD1 4.43Å; K32-F76 HydrophobicContact CD-CE1 3.89Å; K32-F76 HydrophobicContact CD-CZ 4.46Å; K32-F76 HydrophobicContact CG-CD1 3.84Å; K32-F76 HydrophobicContact CG-CE1 3.73Å; K32-F76 HydrophobicContact CG-CG 4.49Å; K32-F76 HydrophobicContact CG-CZ 4.3Å; V34-F76 HydrophobicContact CG2-CD2 4.37Å; V34-F76 HydrophobicContact CG2-CE2 3.87Å; C72-F76 PolarHBondContact O-N 2.97Å; F76-K78 PolarHBondContact O-N 2.81Å
77G94.1Very high94.5Very high54 Ų5437.6 Ų37.656%0.55721%0.206SC*.SBendtrans73.45.5177.400000115.2C72 R73C72-G77 PolarHBondContact O-N 3.2Å; R73-G77 WeakPolarHBondContact O-CA 3.34Å; R73-G77 PolarHBondContact O-N 3.21Å
78K95.6Very high94.5Very high68 Ų6835.7 Ų35.730%0.29620%0.198SC..  trans-164.3166.7-173.165.5-172.1-176.7-179.40112.8G6 V8 F76 N80 R133G6-K78 WeakPolarHBondContact O-CE 3.28Å; G6-K78 PolarHBondContact O-NZ 3.36Å; V8-K78 HydrophobicContact CB-CG 4.19Å; V8-K78 WeakPolarHBondContact CG1-O 3.29Å; V8-K78 HydrophobicContact CG2-CD 4.29Å; V8-K78 HydrophobicContact CG2-CG 3.7Å; F76-K78 PolarHBondContact O-N 2.81Å; K78-N80 VanDerWaalsContact CE-OD1 3.32Å; K78-N80 WeakPolarHBondContact CE-OD1 3.12Å; K78-R133 HydrophobicContact CB-CG 3.82Å
79L97.2Very high94.3Very high0 Ų037.5 Ų37.50%022%0.217CC..  trans-132.9123.5163.8176.162.4000108.9L10 L69 V81 L129 M130 R133L10-L79 HydrophobicContact CB-CD1 3.6Å; L69-L79 HydrophobicContact CD2-CD2 3.8Å; L79-V81 WeakPolarHBondContact CD1-O 2.84Å; L79-L129 HydrophobicContact CB-CB 4.45Å; L79-L129 HydrophobicContact CB-CD2 3.71Å; L79-L129 HydrophobicContact CB-CG 3.82Å; L79-L129 HydrophobicContact CD2-CD2 4.43Å; L79-M130 HydrophobicContact CB-CG 4.45Å; L79-M130 HydrophobicContact CD2-CE 4.02Å; L79-M130 HydrophobicContact CD2-CG 4.29Å; L79-M130 HydrophobicContact CG-CE 4.02Å; L79-M130 HydrophobicContact CG-CG 4.23Å; L79-R133 WeakPolarHBondContact O-CD 3.45Å
80N97.2Very high94Very high15 Ų1538.1 Ų38.18%0.0822%0.221CC..  trans-100.5-42.4179.2-63.481.2000112.1L7 V8 K78 R133 G142 I143L7-N80 HydrophobicContact CD1-CB 4.03Å; L7-N80 HydrophobicContact CD2-CB 3.97Å; L7-N80 HydrophobicContact CG-CB 3.55Å; V8-N80 PolarHBondContact N-OD1 3.46Å; V8-N80 WeakPolarHBondContact O-CA 3.39Å; V8-N80 WeakPolarHBondContact O-CB 3.44Å; V8-N80 PolarHBondContact O-N 3.27Å; K78-N80 VanDerWaalsContact CE-OD1 3.32Å; K78-N80 WeakPolarHBondContact CE-OD1 3.12Å; N80-R133 PolarHBondContact ND2-NE 2.9Å; N80-R133 PolarHBondContact ND2-NH1 2.88Å; N80-R133 VanDerWaalsContact ND2-NH1 3.11Å; N80-R133 PolarHBondContact ND2-NH2 3.26Å; N80-G142 CarbonylContact O-C 3.57Å; N80-G142 WeakPolarHBondContact O-CA 3.26Å; N80-I143 PolarHBondContact O-N 3.44Å
81V98Very high93.8Very high1 Ų138.7 Ų38.71%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-131.4128.4-170.5179.10000108.9L7 V8 A9 L10 L79 I83 I143 I145 I235L7-V81 HydrophobicContact CD1-CG2 3.72Å; L7-V81 HydrophobicContact CD2-CB 3.99Å; L7-V81 HydrophobicContact CD2-CG2 3.4Å; L7-V81 HydrophobicContact CG-CG2 4.02Å; V8-V81 PolarHBondContact O-N 3.38Å; V8-V81 VanDerWaalsContact O-N 3.09Å; A9-V81 CarbonylContact C-O 3.56Å; A9-V81 VanDerWaalsContact CA-O 3.25Å; A9-V81 WeakPolarHBondContact CA-O 3.27Å; A9-V81 HydrophobicContact CB-CB 4.09Å; L10-V81 PolarHBondContact N-O 2.9Å; L79-V81 WeakPolarHBondContact CD1-O 2.84Å; V81-I83 HydrophobicContact CG1-CD1 4.11Å; V81-I83 HydrophobicContact CG1-CG1 3.64Å; V81-I143 WeakPolarHBondContact CA-O 3.12Å; V81-I143 HydrophobicContact CB-CG2 4.27Å; V81-I143 HydrophobicContact CG1-CG2 4.11Å; V81-I143 HydrophobicContact CG2-CG2 3.71Å; V81-I145 HydrophobicContact CG1-CD1 4.33Å; V81-I235 HydrophobicContact CG1-CD1 4.02Å; V81-I235 HydrophobicContact CG1-CG1 4.24Å; V81-I235 HydrophobicContact CG2-CD1 3.97Å; V81-I235 HydrophobicContact CG2-CG1 4.01Å; V81-I235 HydrophobicContact CG2-CG2 4.37Å
82L98.6Very high93.9Very high0 Ų040.6 Ų40.60%025%0.245CC..EExtended strand (participates in β ladder)trans-104.7124.5166.2172.264.9000108.6L10 L122 V123 M130 I143 I144 I145L10-L82 HydrophobicContact CB-CD1 4.31Å; L10-L82 HydrophobicContact CD2-CD1 4.27Å; L10-L82 HydrophobicContact CG-CD1 4.19Å; L82-L122 HydrophobicContact CD1-CD1 4.09Å; L82-L122 HydrophobicContact CD1-CD2 3.65Å; L82-L122 HydrophobicContact CD1-CG 3.66Å; L82-L122 HydrophobicContact CD2-CG 4.11Å; L82-V123 HydrophobicContact CD2-CG2 3.97Å; L82-M130 HydrophobicContact CB-CE 3.71Å; L82-I143 PolarHBondContact N-O 2.93Å; L82-I144 HydrophobicContact CB-CG1 4.38Å; L82-I144 HydrophobicContact CD2-CG1 4.34Å; L82-I144 HydrophobicContact CD2-CG2 4.13Å; L82-I145 PolarHBondContact O-N 3.26Å
83I98.5Very high93.9Very high0 Ų043.9 Ų43.90%027%0.267CS..EExtended strand (participates in β ladder)trans-117.8118.3173.6-49.7176.1000108.5L10 I11 A12 C22 L26 V81 I145 V231L10-I83 PolarHBondContact O-N 3.37Å; I11-I83 CarbonylContact C-O 3.33Å; I11-I83 WeakPolarHBondContact CA-O 3.23Å; I11-I83 HydrophobicContact CD1-CD1 4.07Å; I11-I83 HydrophobicContact CG1-CB 4.18Å; I11-I83 HydrophobicContact CG1-CD1 4.05Å; I11-I83 HydrophobicContact CG1-CG1 4.36Å; I11-I83 HydrophobicContact CG2-CB 4.26Å; A12-I83 PolarHBondContact N-O 2.92Å; C22-I83 HydrophobicContact CB-CD1 4.14Å; L26-I83 HydrophobicContact CD1-CD1 3.8Å; V81-I83 HydrophobicContact CG1-CD1 4.11Å; V81-I83 HydrophobicContact CG1-CG1 3.64Å; I83-I145 CarbonylContact C-O 3.52Å; I83-I145 WeakPolarHBondContact CA-O 3.29Å; I83-V231 HydrophobicContact CD1-CG1 3.55Å; I83-V231 HydrophobicContact CG1-CG1 4.4Å
84N97.2Very high94Very high2 Ų243.6 Ų43.61%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-109.687.6-177.3-158.9-20.3000112.2A86 N119 I145 V147N84-A86 PolarHBondContact OD1-N 2.95Å; N84-N119 VanDerWaalsContact ND2-CA 3.26Å; N84-N119 WeakPolarHBondContact ND2-CA 3.43Å; N84-N119 VanDerWaalsContact ND2-CG 3.29Å; N84-N119 PolarHBondContact ND2-ND2 2.7Å; N84-N119 VanDerWaalsContact ND2-ND2 3.14Å; N84-I145 PolarHBondContact N-O 2.82Å; N84-V147 WeakPolarHBondContact O-CB 3.25Å; N84-V147 WeakPolarHBondContact O-CG2 3.34Å; N84-V147 PolarHBondContact O-N 2.99Å; N84-V147 VanDerWaalsContact O-N 3.15Å
85C95.9Very high94.2Very high23 Ų2345 Ų4516%0.15527%0.268CS..  trans-95.4-1.6175.9-58.60000113.1A12 A87 V147A12-C85 CarbonylContact O-C 3.51Å; A12-C85 VanDerWaalsContact O-CA 3.31Å; A12-C85 WeakPolarHBondContact O-CA 3.37Å; A12-C85 VanDerWaalsContact O-CB 3.26Å; A12-C85 WeakPolarHBondContact O-CB 3.14Å; A12-C85 PolarHBondContact O-N 3.16Å; C85-A87 PolarHBondContact O-N 3.24Å; C85-A87 VanDerWaalsContact O-N 3.13Å; C85-V147 HydrophobicContact CB-CG2 4.34Å; C85-V147 VanDerWaalsContact SG-CG2 3.56Å
86A90.7Very high94.4Very high17 Ų1741.9 Ų41.914%0.1426%0.261CS..  trans-71.7108-176.800000110.8A12 V59 N84A12-A86 HydrophobicContact CB-CB 3.91Å; A12-A86 PolarHBondContact O-N 3.45Å; V59-A86 HydrophobicContact CG1-CB 3.91Å; V59-A86 HydrophobicContact CG2-CB 4.23Å; N84-A86 PolarHBondContact OD1-N 2.95Å
87A92Very high94.4Very high47 Ų4744.6 Ų44.639%0.38828%0.282SS..  trans-150.7151.6178.700000111.6C85 N115C85-A87 PolarHBondContact O-N 3.24Å; C85-A87 VanDerWaalsContact O-N 3.13Å; A87-N115 WeakPolarHBondContact CA-OD1 3.35Å
88I91.6Very high94.4Very high47 Ų4748.3 Ų48.324%0.24129%0.294CS..  trans-113.3153.4167.561.6170.7000110.6K110 L111 V114 N115I88-K110 HydrophobicContact CD1-CD 4.28Å; I88-K110 HydrophobicContact CD1-CG 3.92Å; I88-L111 HydrophobicContact CD1-CB 4.47Å; I88-L111 HydrophobicContact CG1-CB 4.48Å; I88-V114 HydrophobicContact CD1-CB 4.26Å; I88-V114 HydrophobicContact CD1-CG2 4.14Å; I88-V114 HydrophobicContact CG1-CB 4.18Å; I88-V114 HydrophobicContact CG1-CG1 4.31Å; I88-V114 HydrophobicContact CG2-CG1 4.32Å; I88-N115 WeakPolarHBondContact CG1-OD1 3.1Å; I88-N115 PolarHBondContact N-OD1 2.96Å; I88-N115 PolarHBondContact O-ND2 2.97Å
89G88.3Confident94.4Very high38 Ų3850 Ų5039%0.39230%0.303SS..  trans-102150.8173.700000112.2
90V89.1Confident94.4Very high23 Ų2357.8 Ų57.814%0.13934%0.337CS..  trans-133.3130.2166170.70000107.3L92 P107 L111 A161V90-L92 HydrophobicContact CG1-CB 4.15Å; V90-L92 HydrophobicContact CG1-CD1 3.86Å; V90-L92 HydrophobicContact CG1-CG 3.96Å; V90-P107 HydrophobicContact CG1-CB 4.11Å; V90-P107 HydrophobicContact CG2-CB 4.09Å; V90-L111 HydrophobicContact CB-CD1 3.67Å; V90-L111 HydrophobicContact CG2-CB 4.08Å; V90-L111 HydrophobicContact CG2-CD1 3.6Å; V90-L111 HydrophobicContact CG2-CG 4.48Å; V90-A161 HydrophobicContact CB-CB 4.4Å; V90-A161 HydrophobicContact CG1-CB 4.37Å
91A89.7Confident94.4Very high75 Ų7562.8 Ų62.862%0.6236%0.355SS*.  trans-124.388.1177.200000109.2G158A91-G158 CarbonylContact C-O 3.59Å; A91-G158 WeakPolarHBondContact CA-O 3.31Å
92L92.3Very high94.3Very high71 Ų7166.9 Ų66.937%0.37238%0.381SS..  trans-143.5128.6-176.9-70.5175.5000109.1V90 H103 P107 G158V90-L92 HydrophobicContact CG1-CB 4.15Å; V90-L92 HydrophobicContact CG1-CD1 3.86Å; V90-L92 HydrophobicContact CG1-CG 3.96Å; L92-H103 WeakPolarHBondContact CB-CD2 3.11Å; L92-H103 WeakPolarHBondContact CB-NE2 3.31Å; L92-H103 PolarHBondContact O-CD2 3.33Å; L92-P107 HydrophobicContact CD1-CB 4.1Å; L92-P107 HydrophobicContact CD1-CG 4.06Å; L92-G158 CarbonylContact C-O 3.5Å; L92-G158 PolarHBondContact N-O 3.38Å; L92-G158 CarbonylContact O-C 3.49Å; L92-G158 WeakPolarHBondContact O-CA 3.34Å; L92-G158 VanDerWaalsContact O-O 3.09Å
93S94.1Very high94.2Very high68 Ų6868.7 Ų68.748%0.47639%0.39SS..  trans-64.2149.5171.6-62.10000110.8Y95 H103S93-Y95 PolarHBondContact O-N 2.86Å; S93-Y95 VanDerWaalsContact O-N 3.15Å; S93-H103 WeakPolarHBondContact O-CB 3.48Å
94V96.1Very high94.1Very high93 Ų9371.1 Ų71.156%0.56441%0.406SS*.SBendtrans-55.7-33.3177.5178.90000111.8H103 L160V94-H103 WeakPolarHBondContact O-CB 3.46Å; V94-H103 PolarHBondContact O-N 2.98Å; V94-L160 HydrophobicContact CG2-CB 4.32Å; V94-L160 HydrophobicContact CG2-CD1 3.67Å; V94-L160 HydrophobicContact CG2-CG 4.48Å
95Y97.2Very high94.1Very high121 Ų12176.1 Ų76.148%0.47543%0.432SS..EExtended strand (participates in β ladder)trans-142.4132.2175.4-168.7-93.8000110S93 V97 K100 P102S93-Y95 PolarHBondContact O-N 2.86Å; S93-Y95 VanDerWaalsContact O-N 3.15Å; Y95-V97 HydrophobicContact CD1-CG2 4.12Å; Y95-K100 VanDerWaalsContact OH-CA 3.32Å; Y95-K100 WeakPolarHBondContact OH-CA 3.44Å; Y95-K100 PolarHBondContact OH-O 2.91Å; Y95-K100 VanDerWaalsContact OH-O 3.11Å; Y95-P102 HydrophobicContact CD2-CB 4.36Å
96N94.7Very high94.2Very high58 Ų5880.8 Ų80.831%0.3146%0.455SS..EExtended strand (participates in β ladder)trans-93.3110.4171-174-31.1000109T98 E99 K100 R101N96-T98 WeakPolarHBondContact OD1-CA 3.33Å; N96-T98 WeakPolarHBondContact OD1-CB 3.47Å; N96-T98 PolarHBondContact OD1-N 2.94Å; N96-E99 HydrophobicContact CB-CB 4.18Å; N96-E99 VanDerWaalsContact ND2-CD 3.25Å; N96-E99 PolarHBondContact ND2-OE2 2.66Å; N96-E99 PolarHBondContact OD1-N 3.34Å; N96-K100 VanDerWaalsContact O-CA 3.25Å; N96-K100 WeakPolarHBondContact O-CA 3.49Å; N96-K100 PolarHBondContact O-N 2.76Å; N96-R101 HydrophobicContact CB-CG 4.43Å; N96-R101 PolarHBondContact N-O 3.21Å; N96-R101 PolarHBondContact O-N 2.8Å
97V94.7Very high94.5Very high115 Ų11581.7 Ų81.770%0.69746%0.46SS*.THydrogen-bonded Turntrans-68.2-35.7-178.8-179.20000112.1Y95 K100Y95-V97 HydrophobicContact CD1-CG2 4.12Å; V97-K100 WeakPolarHBondContact O-CG 3.42Å; V97-K100 PolarHBondContact O-N 3.1Å
98T94.6Very high94.7Very high133 Ų13382.7 Ų82.782%0.81646%0.455SS*.THydrogen-bonded Turntrans-67.6-46.1179.6-550000111.2N96 K100N96-T98 WeakPolarHBondContact OD1-CA 3.33Å; N96-T98 WeakPolarHBondContact OD1-CB 3.47Å; N96-T98 PolarHBondContact OD1-N 2.94Å; T98-K100 VanDerWaalsContact C-N 3.32Å
99E94.7Very high95Very high102 Ų10285.5 Ų85.548%0.47747%0.467SS..THydrogen-bonded Turntrans-86.8-4.9179.3-63.5175.114500112.9N96 R101N96-E99 HydrophobicContact CB-CB 4.18Å; N96-E99 VanDerWaalsContact ND2-CD 3.25Å; N96-E99 PolarHBondContact ND2-OE2 2.66Å; N96-E99 PolarHBondContact OD1-N 3.34Å; E99-R101 HydrophobicContact CB-CG 3.82Å; E99-R101 VanDerWaalsContact CD-NH2 3.27Å; E99-R101 PolarHBondContact O-N 3.03Å; E99-R101 IonicContact OE1-CZ 3.68Å; E99-R101 IonicContact OE1-NE 2.64Å; E99-R101 IonicContact OE1-NH2 2.98Å; E99-R101 PolarHBondContact OE1-NH2 2.96Å; E99-R101 VanDerWaalsContact OE1-NH2 3.14Å; E99-R101 IonicContact OE2-CZ 3.34Å; E99-R101 IonicContact OE2-NE 3.22Å; E99-R101 PolarHBondContact OE2-NE 3.44Å; E99-R101 IonicContact OE2-NH2 3.87Å; E99-R101 PolarHBondContact OE2-NH2 3.09Å
100K96.6Very high95.4Very high165 Ų16590.2 Ų90.272%0.71748%0.477SS*.THydrogen-bonded Turntrans49.439.7-177.2-60-178.2179.9178.70113.9Y95 N96 V97 T98Y95-K100 VanDerWaalsContact OH-CA 3.32Å; Y95-K100 WeakPolarHBondContact OH-CA 3.44Å; Y95-K100 PolarHBondContact OH-O 2.91Å; Y95-K100 VanDerWaalsContact OH-O 3.11Å; N96-K100 VanDerWaalsContact O-CA 3.25Å; N96-K100 WeakPolarHBondContact O-CA 3.49Å; N96-K100 PolarHBondContact O-N 2.76Å; V97-K100 WeakPolarHBondContact O-CG 3.42Å; V97-K100 PolarHBondContact O-N 3.1Å; T98-K100 VanDerWaalsContact C-N 3.32Å
101R97Very high95.7Very high119 Ų11989.1 Ų89.145%0.44947%0.471SS..EExtended strand (participates in β ladder)trans-130.9145.8-177.366.9179179147.3-5.7112.3N96 E99N96-R101 HydrophobicContact CB-CG 4.43Å; N96-R101 PolarHBondContact N-O 3.21Å; N96-R101 PolarHBondContact O-N 2.8Å; E99-R101 HydrophobicContact CB-CG 3.82Å; E99-R101 VanDerWaalsContact CD-NH2 3.27Å; E99-R101 PolarHBondContact O-N 3.03Å; E99-R101 IonicContact OE1-CZ 3.68Å; E99-R101 IonicContact OE1-NE 2.64Å; E99-R101 IonicContact OE1-NH2 2.98Å; E99-R101 PolarHBondContact OE1-NH2 2.96Å; E99-R101 VanDerWaalsContact OE1-NH2 3.14Å; E99-R101 IonicContact OE2-CZ 3.34Å; E99-R101 IonicContact OE2-NE 3.22Å; E99-R101 PolarHBondContact OE2-NE 3.44Å; E99-R101 IonicContact OE2-NH2 3.87Å; E99-R101 PolarHBondContact OE2-NH2 3.09Å
102P97.7Very high96.1Very high88 Ų8887.6 Ų87.657%0.57145%0.453SS*.EExtended strand (participates in β ladder)trans-68.3161.4171.131.2-35.2000111.2Y95 P104Y95-P102 HydrophobicContact CD2-CB 4.36Å; P102-P104 WeakPolarHBondContact O-CD 3.48Å
103H95.6Very high96.3Very high37 Ų3789.1 Ų89.117%0.17146%0.457CS..PPolyproline II helixtrans-50.3122.1164.7-176.4-64.2000109.4L92 S93 V94L92-H103 WeakPolarHBondContact CB-CD2 3.11Å; L92-H103 WeakPolarHBondContact CB-NE2 3.31Å; L92-H103 PolarHBondContact O-CD2 3.33Å; S93-H103 WeakPolarHBondContact O-CB 3.48Å; V94-H103 WeakPolarHBondContact O-CB 3.46Å; V94-H103 PolarHBondContact O-N 2.98Å
104P96.4Very high96.3Very high52 Ų5287.1 Ų87.134%0.33844%0.442SS..PPolyproline II helixtrans-58.4145.5177.2-23.633.8000111.4P102 P107P102-P104 WeakPolarHBondContact O-CD 3.48Å; P104-P107 HydrophobicContact CB-CG 4.39Å; P104-P107 WeakPolarHBondContact O-CD 3.3Å
105L97.5Very high96.3Very high107 Ų10783 Ų8356%0.5642%0.416SS*.Hα-helixtrans-69.2-40.8-176.8-171.855.4000112.3F108 E109L105-F108 WeakPolarHBondContact O-CA 3.34Å; L105-F108 WeakPolarHBondContact O-CB 3.39Å; L105-F108 PolarHBondContact O-N 2.64Å; L105-E109 HydrophobicContact CD1-CG 4.21Å; L105-E109 HydrophobicContact CG-CG 3.95Å; L105-E109 PolarHBondContact O-N 3.39Å; L105-E109 VanDerWaalsContact O-N 3.1Å
106D98Very high96.4Very high120 Ų12078.2 Ų78.264%0.64240%0.4SS*.Hα-helixtrans-55.8-43.5-170.6-47.1-8.3000114.9F108 E109 K110D106-F108 VanDerWaalsContact C-N 3.29Å; D106-F108 PolarHBondContact O-N 3.16Å; D106-E109 PolarHBondContact O-N 3.32Å; D106-K110 VanDerWaalsContact O-CB 3.31Å; D106-K110 WeakPolarHBondContact O-CB 3.34Å; D106-K110 PolarHBondContact O-N 3.2Å
107P96.1Very high96.5Very high37 Ų3779 Ų7924%0.2440%0.404CS..Hα-helixtrans-60.9-35.8175.3-24.635.2000113.4V90 L92 P104 L111V90-P107 HydrophobicContact CG1-CB 4.11Å; V90-P107 HydrophobicContact CG2-CB 4.09Å; L92-P107 HydrophobicContact CD1-CB 4.1Å; L92-P107 HydrophobicContact CD1-CG 4.06Å; P104-P107 HydrophobicContact CB-CG 4.39Å; P104-P107 WeakPolarHBondContact O-CD 3.3Å; P107-L111 VanDerWaalsContact O-CB 3.27Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 2.89Å; P107-L111 VanDerWaalsContact O-N 3.1Å
108F97.3Very high96.6Very high68 Ų6873.6 Ų73.630%0.29837%0.37SS..Hα-helixtrans-67.2-49.1176.7-175-79.3000110.2L105 D106 K110 L111 V112 L160 A161 A164L105-F108 WeakPolarHBondContact O-CA 3.34Å; L105-F108 WeakPolarHBondContact O-CB 3.39Å; L105-F108 PolarHBondContact O-N 2.64Å; D106-F108 VanDerWaalsContact C-N 3.29Å; D106-F108 PolarHBondContact O-N 3.16Å; F108-K110 PolarHBondContact O-N 3.49Å; F108-L111 PolarHBondContact O-N 3.26Å; F108-V112 HydrophobicContact CD1-CG2 4.02Å; F108-V112 HydrophobicContact CE1-CG2 3.66Å; F108-V112 HydrophobicContact CZ-CG2 4.27Å; F108-V112 WeakPolarHBondContact O-CG2 3.19Å; F108-V112 PolarHBondContact O-N 3.49Å; F108-L160 HydrophobicContact CE2-CD2 4.05Å; F108-A161 HydrophobicContact CD2-CB 3.5Å; F108-A161 HydrophobicContact CE2-CB 4.09Å; F108-A161 HydrophobicContact CG-CB 4.32Å; F108-A164 HydrophobicContact CE2-CB 4.29Å; F108-A164 HydrophobicContact CZ-CB 4.32Å
109E97.7Very high96.7Very high105 Ų10567.3 Ų67.349%0.49133%0.332SS..Hα-helixtrans-61.1-44.5179.1-68.6-175.315700112.2L105 D106 L111 V112 K113L105-E109 HydrophobicContact CD1-CG 4.21Å; L105-E109 HydrophobicContact CG-CG 3.95Å; L105-E109 PolarHBondContact O-N 3.39Å; L105-E109 VanDerWaalsContact O-N 3.1Å; D106-E109 PolarHBondContact O-N 3.32Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.98Å; E109-V112 PolarHBondContact O-N 3.07Å; E109-K113 WeakPolarHBondContact O-CB 3.32Å; E109-K113 PolarHBondContact O-N 3.38Å
110K96.3Very high96.8Very high138 Ų13867.8 Ų67.860%0.633%0.333SS*.Hα-helixtrans-59.9-42.8176.9-174.1178.9179.41770111.4I88 D106 F108 K113 V114I88-K110 HydrophobicContact CD1-CD 4.28Å; I88-K110 HydrophobicContact CD1-CG 3.92Å; D106-K110 VanDerWaalsContact O-CB 3.31Å; D106-K110 WeakPolarHBondContact O-CB 3.34Å; D106-K110 PolarHBondContact O-N 3.2Å; F108-K110 PolarHBondContact O-N 3.49Å; K110-K113 PolarHBondContact O-N 2.94Å; K110-V114 WeakPolarHBondContact O-CG2 3.15Å; K110-V114 PolarHBondContact O-N 3.49Å
111L95.7Very high96.9Very high0 Ų060.3 Ų60.30%030%0.301CS..Hα-helixtrans-65.2-43.2178.6-179.1148.8000111.6I88 V90 P107 F108 E109 V114 N115 A161 Y162 A165I88-L111 HydrophobicContact CD1-CB 4.47Å; I88-L111 HydrophobicContact CG1-CB 4.48Å; V90-L111 HydrophobicContact CB-CD1 3.67Å; V90-L111 HydrophobicContact CG2-CB 4.08Å; V90-L111 HydrophobicContact CG2-CD1 3.6Å; V90-L111 HydrophobicContact CG2-CG 4.48Å; P107-L111 VanDerWaalsContact O-CB 3.27Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 2.89Å; P107-L111 VanDerWaalsContact O-N 3.1Å; F108-L111 PolarHBondContact O-N 3.26Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.98Å; L111-V114 PolarHBondContact O-N 3.31Å; L111-N115 VanDerWaalsContact O-CB 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.44Å; L111-A161 HydrophobicContact CD1-CB 4.43Å; L111-A161 WeakPolarHBondContact CD2-O 3.32Å; L111-Y162 HydrophobicContact CD1-CD2 4.2Å; L111-A165 HydrophobicContact CD2-CB 3.26Å; L111-A165 HydrophobicContact CG-CB 4.46Å
112V97.5Very high96.9Very high42 Ų4254.7 Ų54.726%0.25528%0.279SS..Hα-helixtrans-63-44173.7172.70000111.2F108 E109 V114 V116 I117F108-V112 HydrophobicContact CD1-CG2 4.02Å; F108-V112 HydrophobicContact CE1-CG2 3.66Å; F108-V112 HydrophobicContact CZ-CG2 4.27Å; F108-V112 WeakPolarHBondContact O-CG2 3.19Å; F108-V112 PolarHBondContact O-N 3.49Å; E109-V112 PolarHBondContact O-N 3.07Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 3.32Å; V112-V116 HydrophobicContact CG1-CB 4.32Å; V112-V116 HydrophobicContact CG1-CG2 4.41Å; V112-V116 WeakPolarHBondContact O-CA 3.15Å; V112-V116 VanDerWaalsContact O-CB 3.32Å; V112-V116 WeakPolarHBondContact O-CB 3.43Å; V112-V116 PolarHBondContact O-N 3.47Å; V112-I117 PolarHBondContact O-N 3.47Å
113K96.3Very high96.9Very high104 Ų10450.7 Ų50.745%0.45225%0.253SS..Iπ-helixtrans-59.9-42.6179.9-177.464.8176.7-176.20112.2T60 E109 K110 I117 G118T60-K113 HydrophobicContact CG2-CG 4.46Å; E109-K113 WeakPolarHBondContact O-CB 3.32Å; E109-K113 PolarHBondContact O-N 3.38Å; K110-K113 PolarHBondContact O-N 2.94Å; K113-I117 HydrophobicContact CD-CB 4.27Å; K113-I117 HydrophobicContact CD-CD1 4Å; K113-I117 HydrophobicContact CD-CG2 4.21Å; K113-I117 WeakPolarHBondContact O-CB 3.41Å; K113-G118 PolarHBondContact O-N 2.64Å
114V94.7Very high97Very high26 Ų2653.5 Ų53.516%0.15826%0.262CS..Iπ-helixtrans-78.6-59.3179.7176.30000110.9T60 I88 K110 L111 V112 G118T60-V114 HydrophobicContact CG2-CG2 4.19Å; I88-V114 HydrophobicContact CD1-CB 4.26Å; I88-V114 HydrophobicContact CD1-CG2 4.14Å; I88-V114 HydrophobicContact CG1-CB 4.18Å; I88-V114 HydrophobicContact CG1-CG1 4.31Å; I88-V114 HydrophobicContact CG2-CG1 4.32Å; K110-V114 WeakPolarHBondContact O-CG2 3.15Å; K110-V114 PolarHBondContact O-N 3.49Å; L111-V114 PolarHBondContact O-N 3.31Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 3.32Å; V114-G118 WeakPolarHBondContact O-CA 3.34Å; V114-G118 PolarHBondContact O-N 3Å
115N96.5Very high97Very high5 Ų552.8 Ų52.83%0.02726%0.255CS..Iπ-helixtrans-75.7-30.7-166.8-62.316.9000112.9A87 I88 L111 N119 A165A87-N115 WeakPolarHBondContact CA-OD1 3.35Å; I88-N115 WeakPolarHBondContact CG1-OD1 3.1Å; I88-N115 PolarHBondContact N-OD1 2.96Å; I88-N115 PolarHBondContact O-ND2 2.97Å; L111-N115 VanDerWaalsContact O-CB 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.44Å; N115-N119 WeakPolarHBondContact O-CB 3.45Å; N115-A165 HydrophobicContact CB-CB 4.04Å
116V98.1Very high97.1Very high21 Ų2147.7 Ų47.713%0.12723%0.228CC..Iπ-helixtrans-103.6-58.4-176.7-170.70000110.4V112 N119 F120 A165 A168 M172V112-V116 HydrophobicContact CG1-CB 4.32Å; V112-V116 HydrophobicContact CG1-CG2 4.41Å; V112-V116 WeakPolarHBondContact O-CA 3.15Å; V112-V116 VanDerWaalsContact O-CB 3.32Å; V112-V116 WeakPolarHBondContact O-CB 3.43Å; V112-V116 PolarHBondContact O-N 3.47Å; V116-N119 PolarHBondContact O-N 3.44Å; V116-F120 WeakPolarHBondContact O-CB 3.44Å; V116-F120 PolarHBondContact O-N 2.87Å; V116-A165 HydrophobicContact CG2-CB 3.63Å; V116-A168 HydrophobicContact CG1-CB 3.91Å; V116-A168 HydrophobicContact CG2-CB 3.91Å; V116-M172 HydrophobicContact CG1-CE 4.1Å
117I97.4Very high97.1Very high76 Ų7643.4 Ų43.439%0.3921%0.205SC..Iπ-helixtrans-69.7-44.6-175.9-61.4174.7000110.8V112 K113 N119 F120 N121V112-I117 PolarHBondContact O-N 3.47Å; K113-I117 HydrophobicContact CD-CB 4.27Å; K113-I117 HydrophobicContact CD-CD1 4Å; K113-I117 HydrophobicContact CD-CG2 4.21Å; K113-I117 WeakPolarHBondContact O-CB 3.41Å; I117-N119 PolarHBondContact O-N 3.23Å; I117-F120 PolarHBondContact O-N 2.77Å; I117-N121 VanDerWaalsContact O-CB 3.28Å; I117-N121 WeakPolarHBondContact O-CB 3.44Å; I117-N121 PolarHBondContact O-N 2.99Å
118G96.2Very high97.1Very high0 Ų043.4 Ų43.40%021%0.212CC..Iπ-helixtrans-60.2-37173.500000112.1K113 V114 N121 L122K113-G118 PolarHBondContact O-N 2.64Å; V114-G118 WeakPolarHBondContact O-CA 3.34Å; V114-G118 PolarHBondContact O-N 3Å; G118-N121 PolarHBondContact O-N 3.37Å; G118-L122 PolarHBondContact O-N 2.83Å; G118-L122 VanDerWaalsContact O-N 3.15Å
119N97.3Very high97.1Very high2 Ų240.4 Ų40.41%0.01120%0.199CC..Hα-helixtrans-64.8-51.9175.7-176.7-67.4000112.2N84 N115 V116 I117 N121 L122 V123 Q146 L169N84-N119 VanDerWaalsContact ND2-CA 3.26Å; N84-N119 WeakPolarHBondContact ND2-CA 3.43Å; N84-N119 VanDerWaalsContact ND2-CG 3.29Å; N84-N119 PolarHBondContact ND2-ND2 2.7Å; N84-N119 VanDerWaalsContact ND2-ND2 3.14Å; N115-N119 WeakPolarHBondContact O-CB 3.45Å; V116-N119 PolarHBondContact O-N 3.44Å; I117-N119 PolarHBondContact O-N 3.23Å; N119-N121 VanDerWaalsContact C-N 3.3Å; N119-N121 PolarHBondContact O-N 3.19Å; N119-L122 PolarHBondContact O-N 3.28Å; N119-V123 WeakPolarHBondContact O-CG2 3.4Å; N119-V123 PolarHBondContact O-N 2.8Å; N119-Q146 PolarHBondContact OD1-NE2 3.02Å; N119-L169 HydrophobicContact CB-CD2 3.92Å
120F98Very high97.2Very high111 Ų11135.4 Ų35.449%0.48718%0.175SC..Hα-helixtrans-58.9-40.8176174.1-112.6000112.4V116 I117 L122 V123 R124V116-F120 WeakPolarHBondContact O-CB 3.44Å; V116-F120 PolarHBondContact O-N 2.87Å; I117-F120 PolarHBondContact O-N 2.77Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.83Å; F120-V123 PolarHBondContact O-N 2.91Å; F120-R124 HydrophobicContact CE2-CB 4.23Å; F120-R124 HydrophobicContact CZ-CB 4.23Å; F120-R124 WeakPolarHBondContact O-CB 3.29Å; F120-R124 WeakPolarHBondContact O-CG 3.38Å; F120-R124 PolarHBondContact O-N 3.06Å
121N97.2Very high97.2Very high9 Ų931.8 Ų31.85%0.04816%0.162CC..Hα-helixtrans-58.4-45.1177.6-177.745.2000112V59 S61 I117 G118 N119 R124 Q125V59-N121 PolarHBondContact O-ND2 2.88Å; S61-N121 PolarHBondContact O-ND2 2.9Å; I117-N121 VanDerWaalsContact O-CB 3.28Å; I117-N121 WeakPolarHBondContact O-CB 3.44Å; I117-N121 PolarHBondContact O-N 2.99Å; G118-N121 PolarHBondContact O-N 3.37Å; N119-N121 VanDerWaalsContact C-N 3.3Å; N119-N121 PolarHBondContact O-N 3.19Å; N121-R124 WeakPolarHBondContact O-CG 3.41Å; N121-R124 PolarHBondContact OD1-NE 2.77Å; N121-R124 PolarHBondContact OD1-NH2 3.3Å; N121-Q125 WeakPolarHBondContact O-CG 3.37Å; N121-Q125 PolarHBondContact O-N 3.22Å; N121-Q125 PolarHBondContact OD1-NE2 3.21Å
122L96.6Very high97.2Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-66.7-44.1177-178.156.4000112L10 A12 L36 V59 V65 L82 G118 N119 F120 S126L10-L122 HydrophobicContact CD2-CD1 3.92Å; A12-L122 HydrophobicContact CB-CD2 3.38Å; L36-L122 HydrophobicContact CD2-CD1 4Å; L36-L122 HydrophobicContact CD2-CD2 4.18Å; V59-L122 HydrophobicContact CG1-CD2 4.32Å; V65-L122 HydrophobicContact CG1-CD1 3.76Å; V65-L122 HydrophobicContact CG2-CD1 4.19Å; L82-L122 HydrophobicContact CD1-CD1 4.09Å; L82-L122 HydrophobicContact CD1-CD2 3.65Å; L82-L122 HydrophobicContact CD1-CG 3.66Å; L82-L122 HydrophobicContact CD2-CG 4.11Å; G118-L122 PolarHBondContact O-N 2.83Å; G118-L122 VanDerWaalsContact O-N 3.15Å; N119-L122 PolarHBondContact O-N 3.28Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.83Å; L122-S126 VanDerWaalsContact O-CB 3.32Å; L122-S126 WeakPolarHBondContact O-CB 3.34Å; L122-S126 PolarHBondContact O-N 3.14Å; L122-S126 PolarHBondContact O-OG 2.87Å
123V98.2Very high97.1Very high4 Ų436.6 Ų36.62%0.02418%0.18CC..Hα-helixtrans-59.5-54.5178.6168.30000111.3L82 N119 F120 Q125 S126 I127 I144 L176L82-V123 HydrophobicContact CD2-CG2 3.97Å; N119-V123 WeakPolarHBondContact O-CG2 3.4Å; N119-V123 PolarHBondContact O-N 2.8Å; F120-V123 PolarHBondContact O-N 2.91Å; V123-Q125 VanDerWaalsContact C-N 3.26Å; V123-Q125 PolarHBondContact O-N 2.76Å; V123-S126 PolarHBondContact O-N 2.68Å; V123-I127 HydrophobicContact CG1-CD1 4.37Å; V123-I127 WeakPolarHBondContact O-CG1 3.39Å; V123-I127 PolarHBondContact O-N 2.86Å; V123-I144 HydrophobicContact CG1-CD1 4.11Å; V123-I144 HydrophobicContact CG2-CG2 3.87Å; V123-L176 HydrophobicContact CG1-CD1 3.69Å; V123-L176 HydrophobicContact CG1-CD2 3.79Å; V123-L176 HydrophobicContact CG1-CG 4.41Å
124R97.6Very high96.9Very high96 Ų9640.7 Ų40.736%0.36220%0.198SC..Hα-helixtrans-60.9-34.8-174.173.7178.6-173.574-3.6112.6E62 F120 N121E62-R124 IonicContact OE1-CZ 3.63Å; E62-R124 IonicContact OE1-NH2 3.45Å; E62-R124 PolarHBondContact OE1-NH2 3.46Å; E62-R124 IonicContact OE2-NH2 2.76Å; E62-R124 PolarHBondContact OE2-NH2 3.03Å; E62-R124 VanDerWaalsContact OE2-NH2 3.16Å; F120-R124 HydrophobicContact CE2-CB 4.23Å; F120-R124 HydrophobicContact CZ-CB 4.23Å; F120-R124 WeakPolarHBondContact O-CB 3.29Å; F120-R124 WeakPolarHBondContact O-CG 3.38Å; F120-R124 PolarHBondContact O-N 3.06Å; N121-R124 WeakPolarHBondContact O-CG 3.41Å; N121-R124 PolarHBondContact OD1-NE 2.77Å; N121-R124 PolarHBondContact OD1-NH2 3.3Å
125Q97.5Very high96.8Very high38 Ų3843.3 Ų43.318%0.17821%0.21CC..Hα-helixtrans-80.6-32.5-179.7-66.9-165.658.200112.3E62 V65 L69 N121 V123 I127E62-Q125 PolarHBondContact O-NE2 2.92Å; E62-Q125 PolarHBondContact O-OE1 2.88Å; V65-Q125 HydrophobicContact CG1-CB 3.72Å; V65-Q125 HydrophobicContact CG1-CG 4.13Å; L69-Q125 HydrophobicContact CD1-CB 3.65Å; L69-Q125 WeakPolarHBondContact CD1-O 3.15Å; N121-Q125 WeakPolarHBondContact O-CG 3.37Å; N121-Q125 PolarHBondContact O-N 3.22Å; N121-Q125 PolarHBondContact OD1-NE2 3.21Å; V123-Q125 VanDerWaalsContact C-N 3.26Å; V123-Q125 PolarHBondContact O-N 2.76Å; Q125-I127 VanDerWaalsContact C-N 3.35Å; Q125-I127 PolarHBondContact O-N 3.34Å
126S98.2Very high96.4Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-69.5-29.7-178.1-60.50000113.7L122 V123 G128 L129 M130L122-S126 VanDerWaalsContact O-CB 3.32Å; L122-S126 WeakPolarHBondContact O-CB 3.34Å; L122-S126 PolarHBondContact O-N 3.14Å; L122-S126 PolarHBondContact O-OG 2.87Å; V123-S126 PolarHBondContact O-N 2.68Å; S126-G128 VanDerWaalsContact C-N 3.26Å; S126-G128 PolarHBondContact O-N 3.39Å; S126-L129 PolarHBondContact O-N 3.02Å; S126-M130 PolarHBondContact O-N 2.94Å
127I98.3Very high95.8Very high29 Ų2952.3 Ų52.315%0.14925%0.252CS..Hα-helixtrans-56.8-40.5-178.3-69.4164.5000111.5V123 Q125 L129 M130 L131 I144 F183 I185V123-I127 HydrophobicContact CG1-CD1 4.37Å; V123-I127 WeakPolarHBondContact O-CG1 3.39Å; V123-I127 PolarHBondContact O-N 2.86Å; Q125-I127 VanDerWaalsContact C-N 3.35Å; Q125-I127 PolarHBondContact O-N 3.34Å; I127-L129 PolarHBondContact O-N 3.23Å; I127-M130 PolarHBondContact O-N 3.34Å; I127-L131 HydrophobicContact CG2-CD1 4.06Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 3.31Å; I127-I144 HydrophobicContact CG1-CD1 4.11Å; I127-F183 HydrophobicContact CG2-CD2 4.46Å; I127-I185 HydrophobicContact CG2-CD1 4.22Å
128G97.1Very high95.2Very high38 Ų3852.2 Ų52.239%0.39225%0.253SS..Hα-helixtrans-58.8-44.7179.900000112.9S126 L131 E132S126-G128 VanDerWaalsContact C-N 3.26Å; S126-G128 PolarHBondContact O-N 3.39Å; G128-L131 WeakPolarHBondContact O-CB 3.45Å; G128-L131 PolarHBondContact O-N 2.76Å; G128-E132 PolarHBondContact O-N 2.83Å
129L97.4Very high94.9Very high4 Ų459.5 Ų59.52%0.02129%0.287CS..Hα-helixtrans-70.5-33.2178.4-176.958.3000112.5L69 C72 R73 L79 S126 I127 L131 E132L69-L129 HydrophobicContact CB-CD2 4.24Å; L69-L129 HydrophobicContact CD2-CD2 4.05Å; L69-L129 WeakPolarHBondContact O-CD2 3.43Å; C72-L129 HydrophobicContact CB-CD2 3.83Å; R73-L129 HydrophobicContact CB-CD1 4Å; R73-L129 HydrophobicContact CB-CD2 4.45Å; R73-L129 HydrophobicContact CG-CD1 4.23Å; L79-L129 HydrophobicContact CB-CB 4.45Å; L79-L129 HydrophobicContact CB-CD2 3.71Å; L79-L129 HydrophobicContact CB-CG 3.82Å; L79-L129 HydrophobicContact CD2-CD2 4.43Å; S126-L129 PolarHBondContact O-N 3.02Å; I127-L129 PolarHBondContact O-N 3.23Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-E132 PolarHBondContact O-N 2.77Å
130M98.4Very high94.7Very high0 Ų060.2 Ų60.20%029%0.29CS..Hα-helixtrans-65.4-36.6172.8-68.6179.6175.600111.6L79 L82 S126 I127 E132 R133 I144 I185L79-M130 HydrophobicContact CB-CG 4.45Å; L79-M130 HydrophobicContact CD2-CE 4.02Å; L79-M130 HydrophobicContact CD2-CG 4.29Å; L79-M130 HydrophobicContact CG-CE 4.02Å; L79-M130 HydrophobicContact CG-CG 4.23Å; L82-M130 HydrophobicContact CB-CE 3.71Å; S126-M130 PolarHBondContact O-N 2.94Å; I127-M130 PolarHBondContact O-N 3.34Å; M130-E132 VanDerWaalsContact C-N 3.28Å; M130-E132 PolarHBondContact O-N 2.98Å; M130-R133 WeakPolarHBondContact O-CB 3.42Å; M130-R133 PolarHBondContact O-N 3.33Å; M130-R133 VanDerWaalsContact O-N 3.15Å; M130-I144 HydrophobicContact CE-CG1 4.21Å; M130-I144 HydrophobicContact SD-CG1 4.32Å; M130-I185 HydrophobicContact CB-CD1 3.67Å; M130-I185 HydrophobicContact CB-CG1 4.35Å; M130-I185 HydrophobicContact SD-CD1 4.2Å; M130-I185 HydrophobicContact SD-CG1 4.49Å; M130-I185 HydrophobicContact SD-CG2 4.11Å
131L97.5Very high94.7Very high62 Ų6258.3 Ų58.333%0.32528%0.28SS..Hα-helixtrans-65-27.2177.4-75.5172.5000113.7I127 G128 L129 R133 R141 F183I127-L131 HydrophobicContact CG2-CD1 4.06Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 3.31Å; G128-L131 WeakPolarHBondContact O-CB 3.45Å; G128-L131 PolarHBondContact O-N 2.76Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 3.44Å; L131-R141 PolarHBondContact O-NH1 2.96Å; L131-F183 HydrophobicContact CD2-CB 3.61Å; L131-F183 HydrophobicContact CD2-CD1 3.8Å; L131-F183 HydrophobicContact CD2-CG 3.74Å
132E96.2Very high94.7Very high111 Ų11158 Ų5852%0.51928%0.278SS..THydrogen-bonded Turntrans-66-22.5175-66.7173.9-15400112.3R73 G128 L129 M130R73-E132 IonicContact CZ-OE1 3.15Å; R73-E132 IonicContact NE-OE1 3.82Å; R73-E132 IonicContact NE-OE2 2.87Å; R73-E132 PolarHBondContact NE-OE2 3.47Å; R73-E132 IonicContact NH2-OE1 2.7Å; R73-E132 PolarHBondContact NH2-OE1 3.28Å; R73-E132 IonicContact NH2-OE2 3.89Å; G128-E132 PolarHBondContact O-N 2.83Å; L129-E132 PolarHBondContact O-N 2.77Å; M130-E132 VanDerWaalsContact C-N 3.28Å; M130-E132 PolarHBondContact O-N 2.98Å
133R94.4Very high94.7Very high32 Ų3258.1 Ų58.112%0.12128%0.279CS..SBendtrans-69.9144.2175.9-68.9-176.153.2-145.1-10.1111.4K78 L79 N80 M130 L131 D136 R141K78-R133 HydrophobicContact CB-CG 3.82Å; L79-R133 WeakPolarHBondContact O-CD 3.45Å; N80-R133 PolarHBondContact ND2-NE 2.9Å; N80-R133 PolarHBondContact ND2-NH1 2.88Å; N80-R133 VanDerWaalsContact ND2-NH1 3.11Å; N80-R133 PolarHBondContact ND2-NH2 3.26Å; M130-R133 WeakPolarHBondContact O-CB 3.42Å; M130-R133 PolarHBondContact O-N 3.33Å; M130-R133 VanDerWaalsContact O-N 3.15Å; L131-R133 PolarHBondContact O-N 3.44Å; R133-D136 IonicContact NH2-OD2 3.16Å; R133-D136 PolarHBondContact NH2-OD2 2.83Å; R133-R141 WeakPolarHBondContact CD-O 3.5Å; R133-R141 PolarHBondContact NH1-O 3.48Å; R133-R141 PolarHBondContact O-NH1 3.28Å
134K92.4Very high94.8Very high190 Ų19057.9 Ų57.983%0.82628%0.278SS*.PPolyproline II helixtrans-64.3144.5161.3-65.7-176.1-179.2-179.50109.9
135I91.9Very high94.8Very high81 Ų8153.3 Ų53.342%0.41526%0.261SS..PPolyproline II helixtrans-61.8135.7169.4-146.9175.8000108.4E139 R141I135-E139 VanDerWaalsContact CD1-C 3.45Å; I135-E139 HydrophobicContact CD1-CB 3.85Å; I135-E139 VanDerWaalsContact CD1-O 3.28Å; I135-E139 WeakPolarHBondContact CD1-O 3.09Å; I135-E139 HydrophobicContact CG1-CB 4.43Å; I135-E139 WeakPolarHBondContact CG1-O 3.27Å; I135-R141 HydrophobicContact CB-CG 4.33Å; I135-R141 HydrophobicContact CG1-CG 4.15Å
136D89.2Confident94.9Very high44 Ų4451.6 Ų51.624%0.23525%0.253CS..  trans-87.8-176.1177.460.938.2000112R133 N138 E139 E140R133-D136 IonicContact NH2-OD2 3.16Å; R133-D136 PolarHBondContact NH2-OD2 2.83Å; D136-N138 PolarHBondContact O-N 3.07Å; D136-N138 PolarHBondContact OD1-N 3.43Å; D136-E139 PolarHBondContact O-N 3.34Å; D136-E140 PolarHBondContact N-O 3.44Å; D136-E140 PolarHBondContact OD1-N 3.06Å; D136-E140 VanDerWaalsContact OD1-N 3.11Å
137E85.4Confident94.9Very high171 Ų17152.4 Ų52.480%0.79926%0.257SS*.THydrogen-bonded Turntrans-61.3-17.9-179.560.5-89.3-162.700114.7E139E137-E139 VanDerWaalsContact C-N 3.31Å
138N84.4Confident94.9Very high75 Ų7551.2 Ų51.240%0.40125%0.252SS..THydrogen-bonded Turntrans-94.914.1176.2-63-48.6000112.4D136 E140D136-N138 PolarHBondContact O-N 3.07Å; D136-N138 PolarHBondContact OD1-N 3.43Å; N138-E140 HydrophobicContact CB-CB 4.48Å; N138-E140 PolarHBondContact O-N 3.47Å
139E89.3Confident94.9Very high153 Ų15350 Ų5072%0.71524%0.237SC*.SBendtrans57.131.1-171.1-56.5-167.4125.300112.7I135 D136 E137I135-E139 VanDerWaalsContact CD1-C 3.45Å; I135-E139 HydrophobicContact CD1-CB 3.85Å; I135-E139 VanDerWaalsContact CD1-O 3.28Å; I135-E139 WeakPolarHBondContact CD1-O 3.09Å; I135-E139 HydrophobicContact CG1-CB 4.43Å; I135-E139 WeakPolarHBondContact CG1-O 3.27Å; D136-E139 PolarHBondContact O-N 3.34Å; E137-E139 VanDerWaalsContact C-N 3.31Å
140E94.4Very high94.8Very high17 Ų1750.5 Ų50.58%0.07924%0.241CC..  trans-111.8142.5-176.8-171.6162.4-162.500112.7D136 N138 G184 R186D136-E140 PolarHBondContact N-O 3.44Å; D136-E140 PolarHBondContact OD1-N 3.06Å; D136-E140 VanDerWaalsContact OD1-N 3.11Å; N138-E140 HydrophobicContact CB-CB 4.48Å; N138-E140 PolarHBondContact O-N 3.47Å; E140-G184 CarbonylContact C-O 3.56Å; E140-G184 WeakPolarHBondContact CA-O 3.33Å; E140-R186 IonicContact OE1-CZ 3.76Å; E140-R186 IonicContact OE1-NE 3.41Å; E140-R186 PolarHBondContact OE1-NE 2.83Å; E140-R186 IonicContact OE1-NH2 2.8Å; E140-R186 PolarHBondContact OE1-NH2 2.7Å; E140-R186 VanDerWaalsContact OE1-NH2 3.1Å; E140-R186 IonicContact OE2-CZ 3.43Å; E140-R186 IonicContact OE2-NE 3.37Å; E140-R186 PolarHBondContact OE2-NE 3.25Å; E140-R186 IonicContact OE2-NH2 3.57Å; E140-R186 PolarHBondContact OE2-NH2 3.24Å; E140-R186 VanDerWaalsContact OE2-NH2 3.17Å
141R96.3Very high94.6Very high70 Ų7050.7 Ų50.726%0.26424%0.242SC..SBendtrans-113.7-11.4170.9-68.1-166.1-165.6-123.2-0.7112.9L131 R133 I135 F183 G184 I185L131-R141 PolarHBondContact O-NH1 2.96Å; R133-R141 WeakPolarHBondContact CD-O 3.5Å; R133-R141 PolarHBondContact NH1-O 3.48Å; R133-R141 PolarHBondContact O-NH1 3.28Å; I135-R141 HydrophobicContact CB-CG 4.33Å; I135-R141 HydrophobicContact CG1-CG 4.15Å; R141-F183 VanDerWaalsContact CD-O 3.26Å; R141-F183 WeakPolarHBondContact CD-O 3.26Å; R141-F183 WeakPolarHBondContact CG-O 3.21Å; R141-G184 PolarHBondContact N-O 3.07Å; R141-I185 HydrophobicContact CB-CG1 4.05Å
142G97.2Very high94.6Very high2 Ų249.2 Ų49.22%0.02124%0.238CC..EExtended strand (participates in β ladder)trans157.2179.3171.900000113.5N80 I185 R186N80-G142 CarbonylContact O-C 3.57Å; N80-G142 WeakPolarHBondContact O-CA 3.26Å; G142-I185 VanDerWaalsContact O-CA 3.25Å; G142-I185 WeakPolarHBondContact O-CA 3.24Å; G142-R186 PolarHBondContact O-N 3.48Å
143I98.3Very high94.6Very high3 Ų348.3 Ų48.32%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-138.6139.1-179-176.3174.8000111.4N80 V81 L82 I145 R186 V188 V234 I235N80-I143 PolarHBondContact O-N 3.44Å; V81-I143 WeakPolarHBondContact CA-O 3.12Å; V81-I143 HydrophobicContact CB-CG2 4.27Å; V81-I143 HydrophobicContact CG1-CG2 4.11Å; V81-I143 HydrophobicContact CG2-CG2 3.71Å; L82-I143 PolarHBondContact N-O 2.93Å; I143-I145 HydrophobicContact CD1-CD1 4.29Å; I143-I145 HydrophobicContact CD1-CG1 4.04Å; I143-I145 HydrophobicContact CG1-CG1 4.04Å; I143-R186 WeakPolarHBondContact CA-O 3.27Å; I143-R186 HydrophobicContact CB-CB 4.37Å; I143-R186 HydrophobicContact CD1-CB 4.33Å; I143-R186 HydrophobicContact CG1-CB 3.98Å; I143-V188 HydrophobicContact CD1-CG2 4.4Å; I143-V234 HydrophobicContact CD1-CG1 3.45Å; I143-V234 VanDerWaalsContact CD1-CG1 3.45Å; I143-I235 HydrophobicContact CG2-CG1 4.19Å
144I98.8Very high94.6Very high0 Ų049.2 Ų49.20%024%0.24CC..EExtended strand (participates in β ladder)trans-104.3121.5172.4-63155.7000108.4L82 V123 I127 M130 Q146 L176 I185 R186 A187 V188L82-I144 HydrophobicContact CB-CG1 4.38Å; L82-I144 HydrophobicContact CD2-CG1 4.34Å; L82-I144 HydrophobicContact CD2-CG2 4.13Å; V123-I144 HydrophobicContact CG1-CD1 4.11Å; V123-I144 HydrophobicContact CG2-CG2 3.87Å; I127-I144 HydrophobicContact CG1-CD1 4.11Å; M130-I144 HydrophobicContact CE-CG1 4.21Å; M130-I144 HydrophobicContact SD-CG1 4.32Å; I144-Q146 HydrophobicContact CG2-CG 4.17Å; I144-L176 HydrophobicContact CD1-CD1 4.44Å; I144-L176 HydrophobicContact CD1-CD2 4.45Å; I144-L176 HydrophobicContact CG2-CD2 4.1Å; I144-I185 HydrophobicContact CD1-CG2 3.9Å; I144-I185 HydrophobicContact CG1-CG2 4.3Å; I144-R186 PolarHBondContact N-O 3.45Å; I144-A187 HydrophobicContact CB-CB 4.24Å; I144-A187 CarbonylContact O-C 3.29Å; I144-A187 VanDerWaalsContact O-CA 3.29Å; I144-A187 WeakPolarHBondContact O-CA 3.34Å; I144-V188 PolarHBondContact O-N 2.93Å
145I98.9Very high94.5Very high0 Ų042.1 Ų42.10%022%0.221CC..EExtended strand (participates in β ladder)trans-115.5110.7176.8-57.6175.1000108V81 L82 I83 N84 I143 V188 I190 V231 V234 I235V81-I145 HydrophobicContact CG1-CD1 4.33Å; L82-I145 PolarHBondContact O-N 3.26Å; I83-I145 CarbonylContact C-O 3.52Å; I83-I145 WeakPolarHBondContact CA-O 3.29Å; N84-I145 PolarHBondContact N-O 2.82Å; I143-I145 HydrophobicContact CD1-CD1 4.29Å; I143-I145 HydrophobicContact CD1-CG1 4.04Å; I143-I145 HydrophobicContact CG1-CG1 4.04Å; I145-V188 CarbonylContact C-O 3.57Å; I145-V188 WeakPolarHBondContact CA-O 3.45Å; I145-I190 HydrophobicContact CG2-CD1 3.8Å; I145-I190 HydrophobicContact CG2-CG1 4.12Å; I145-V231 HydrophobicContact CD1-CG1 3.92Å; I145-V231 HydrophobicContact CG2-CG2 4.46Å; I145-V234 HydrophobicContact CD1-CB 4.28Å; I145-V234 HydrophobicContact CD1-CG1 4.01Å; I145-V234 HydrophobicContact CG1-CG1 4.16Å; I145-I235 HydrophobicContact CD1-CG1 3.98Å
146Q98.7Very high94.5Very high2 Ų240.2 Ų40.21%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-95.1151.1174-59.4170.9-93.800109.7N119 I144 V188 T189 I190N119-Q146 PolarHBondContact OD1-NE2 3.02Å; I144-Q146 HydrophobicContact CG2-CG 4.17Å; Q146-V188 PolarHBondContact N-O 3.23Å; Q146-T189 CarbonylContact O-C 3.54Å; Q146-T189 VanDerWaalsContact O-CA 3.3Å; Q146-T189 WeakPolarHBondContact O-CA 3.39Å; Q146-I190 PolarHBondContact O-N 3.48Å
147V98.4Very high94.6Very high16 Ų1645.4 Ų45.410%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-114.1116.8175.5-172.20000109.9L18 N84 C85 L169 I190 P192 F227L18-V147 HydrophobicContact CD1-CG1 4.23Å; N84-V147 WeakPolarHBondContact O-CB 3.25Å; N84-V147 WeakPolarHBondContact O-CG2 3.34Å; N84-V147 PolarHBondContact O-N 2.99Å; N84-V147 VanDerWaalsContact O-N 3.15Å; C85-V147 HydrophobicContact CB-CG2 4.34Å; C85-V147 VanDerWaalsContact SG-CG2 3.56Å; V147-L169 WeakPolarHBondContact O-CD1 3.33Å; V147-I190 WeakPolarHBondContact CA-O 3.44Å; V147-P192 HydrophobicContact CG1-CG 3.9Å; V147-F227 HydrophobicContact CB-CZ 4.44Å; V147-F227 HydrophobicContact CG1-CE2 4.13Å; V147-F227 HydrophobicContact CG1-CZ 4.03Å; V147-F227 HydrophobicContact CG2-CE1 4.28Å; V147-F227 HydrophobicContact CG2-CE2 4.41Å; V147-F227 HydrophobicContact CG2-CZ 3.54Å
148S97.8Very high94.9Very high4 Ų438 Ų383%0.02820%0.203CC..  trans-102.6-137172.8720000110.4N170 T189 I190 A191 P192S148-N170 WeakPolarHBondContact CB-OD1 3.34Å; S148-N170 PolarHBondContact OG-OD1 3.48Å; S148-T189 VanDerWaalsContact OG-CG2 3.24Å; S148-T189 WeakPolarHBondContact OG-CG2 3.45Å; S148-I190 PolarHBondContact N-O 2.8Å; S148-A191 WeakPolarHBondContact OG-CB 3.48Å; S148-P192 WeakPolarHBondContact O-CD 3.47Å
149S97.1Very high95.3Very high12 Ų1236 Ų368%0.08419%0.191CC..  trans-161.6153.1177.6178.40000110A151 A152 Y162S149-A151 PolarHBondContact O-N 3.22Å; S149-A151 VanDerWaalsContact O-N 3.13Å; S149-A151 PolarHBondContact OG-N 3.28Å; S149-A151 VanDerWaalsContact OG-N 3.12Å; S149-A152 WeakPolarHBondContact O-CB 3.27Å; S149-A152 PolarHBondContact O-N 3.26Å; S149-Y162 WeakPolarHBondContact OG-CE1 3.21Å
150T96.3Very high95.6Very high16 Ų1633.3 Ų33.310%0.09818%0.181CC..THydrogen-bonded Turntrans-57.5-20.416654.60000113.3A152 F153 D154 P192 D248T150-A152 PolarHBondContact O-N 3.37Å; T150-A152 VanDerWaalsContact O-N 3.14Å; T150-F153 PolarHBondContact O-N 3.39Å; T150-D154 PolarHBondContact O-N 3.33Å; T150-P192 PolarHBondContact N-O 2.91Å; T150-D248 HydrophobicContact CG2-CB 3.55Å
151A94.7Very high95.7Very high4 Ų432.6 Ų32.63%0.03318%0.178CC..Hα-helixtrans-59.1-21.717300000113.4S149 F153 G155 Y162 A163S149-A151 PolarHBondContact O-N 3.22Å; S149-A151 VanDerWaalsContact O-N 3.13Å; S149-A151 PolarHBondContact OG-N 3.28Å; S149-A151 VanDerWaalsContact OG-N 3.12Å; A151-F153 PolarHBondContact O-N 3.28Å; A151-G155 WeakPolarHBondContact O-CA 3.46Å; A151-G155 PolarHBondContact O-N 3.4Å; A151-G155 VanDerWaalsContact O-N 3.17Å; A151-Y162 HydrophobicContact CB-CD1 3.75Å; A151-Y162 HydrophobicContact CB-CE1 3.9Å; A151-A163 WeakPolarHBondContact O-CB 3.48Å
152A97Very high95.7Very high30 Ų3031 Ų3125%0.24817%0.172CC..Hα-helixtrans-68.8-23.2172.500000113.5S149 T150 N170S149-A152 WeakPolarHBondContact O-CB 3.27Å; S149-A152 PolarHBondContact O-N 3.26Å; T150-A152 PolarHBondContact O-N 3.37Å; T150-A152 VanDerWaalsContact O-N 3.14Å; A152-N170 WeakPolarHBondContact CB-ND2 3.39Å
153F96.1Very high95.6Very high92 Ų9231.9 Ų31.940%0.40418%0.179SC..Hα-helixtrans-104.8-45.3-179.6-56.9-76.4000111.6T150 A151 N170 A191 V244 R246T150-F153 PolarHBondContact O-N 3.39Å; A151-F153 PolarHBondContact O-N 3.28Å; F153-N170 VanDerWaalsContact CZ-ND2 3.32Å; F153-N170 WeakPolarHBondContact CZ-ND2 3.4Å; F153-A191 HydrophobicContact CE2-CB 3.73Å; F153-V244 HydrophobicContact CE2-CG1 4.05Å; F153-V244 HydrophobicContact CZ-CB 4.24Å; F153-V244 HydrophobicContact CZ-CG1 3.62Å; F153-R246 HydrophobicContact CD2-CG 4.34Å; F153-R246 HydrophobicContact CE2-CG 3.92Å; F153-R246 HydrophobicContact CZ-CG 4.48Å
154D94.1Very high95.6Very high52 Ų5233.9 Ų33.928%0.27820%0.196SC..Hα-helixtrans-124.444.8-171.3-50.2-76.1000110.8T150 Q156 R246 R252T150-D154 PolarHBondContact O-N 3.33Å; D154-Q156 PolarHBondContact O-NE2 2.67Å; D154-Q156 VanDerWaalsContact O-NE2 3.09Å; D154-R246 IonicContact OD2-CZ 3.42Å; D154-R246 IonicContact OD2-NH1 3.64Å; D154-R246 PolarHBondContact OD2-NH1 3.46Å; D154-R246 IonicContact OD2-NH2 3.95Å; D154-R246 PolarHBondContact OD2-NH2 3.1Å; D154-R252 WeakPolarHBondContact OD1-CD 3.5Å; D154-R252 IonicContact OD1-NE 2.79Å; D154-R252 WeakPolarHBondContact OD2-CD 3.32Å; D154-R252 IonicContact OD2-NE 3.6Å
155G91.2Very high95.6Very high40 Ų4033.9 Ų33.941%0.41220%0.197SC..PPolyproline II helixtrans-55.7139.9-176.200000113.3A151A151-G155 WeakPolarHBondContact O-CA 3.46Å; A151-G155 PolarHBondContact O-N 3.4Å; A151-G155 VanDerWaalsContact O-N 3.17Å
156Q90.8Very high95.6Very high41 Ų4134.1 Ų34.119%0.19220%0.198CC..PPolyproline II helixtrans-96.7166.8-177.1-60.1-65-69.700112.8D154 G158 Q159 L253 P254D154-Q156 PolarHBondContact O-NE2 2.67Å; D154-Q156 VanDerWaalsContact O-NE2 3.09Å; Q156-G158 PolarHBondContact O-N 3.04Å; Q156-Q159 HydrophobicContact CB-CG 4.07Å; Q156-Q159 VanDerWaalsContact N-OE1 3.11Å; Q156-Q159 WeakPolarHBondContact O-CB 3.32Å; Q156-Q159 PolarHBondContact O-N 2.82Å; Q156-L253 HydrophobicContact CG-CB 4.02Å; Q156-L253 HydrophobicContact CG-CD1 3.65Å; Q156-L253 HydrophobicContact CG-CG 4.49Å; Q156-L253 PolarHBondContact NE2-O 3.45Å; Q156-P254 PolarHBondContact OE1-O 2.94Å
157Q90.7Very high95.5Very high154 Ų15434.8 Ų34.872%0.7221%0.206SC*.THydrogen-bonded Turntrans-51.6133.9167.8-62-175.429.300110.6Q159 P255Q157-Q159 PolarHBondContact O-N 2.87Å; Q157-P255 WeakPolarHBondContact CG-OXT 3.41Å; Q157-P255 PolarHBondContact NE2-OXT 3.22Å
158G91.4Very high95.6Very high16 Ų1635.6 Ų35.617%0.16521%0.214CC..THydrogen-bonded Turntrans78-3.5-177.300000115.7A91 L92 Q156A91-G158 CarbonylContact C-O 3.59Å; A91-G158 WeakPolarHBondContact CA-O 3.31Å; L92-G158 CarbonylContact C-O 3.5Å; L92-G158 PolarHBondContact N-O 3.38Å; L92-G158 CarbonylContact O-C 3.49Å; L92-G158 WeakPolarHBondContact O-CA 3.34Å; L92-G158 VanDerWaalsContact O-O 3.09Å; Q156-G158 PolarHBondContact O-N 3.04Å
159Q93.3Very high95.6Very high31 Ų3135.7 Ų35.715%0.14521%0.214CC..  trans-99.18.2179.9-65.8-173.6-29.700114.2Q156 Q157 A161 Y162 A163Q156-Q159 HydrophobicContact CB-CG 4.07Å; Q156-Q159 VanDerWaalsContact N-OE1 3.11Å; Q156-Q159 WeakPolarHBondContact O-CB 3.32Å; Q156-Q159 PolarHBondContact O-N 2.82Å; Q157-Q159 PolarHBondContact O-N 2.87Å; Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.28Å; Q159-A161 VanDerWaalsContact O-N 3.16Å; Q159-Y162 PolarHBondContact O-N 3.43Å; Q159-A163 WeakPolarHBondContact O-CB 3.08Å; Q159-A163 PolarHBondContact O-N 2.69Å
160L95.8Very high95.7Very high98 Ų9836.2 Ų36.251%0.51322%0.216SC..Hα-helixtrans-50.9-47.1-172.2-177.9147000113.1V94 F108 A164V94-L160 HydrophobicContact CG2-CB 4.32Å; V94-L160 HydrophobicContact CG2-CD1 3.67Å; V94-L160 HydrophobicContact CG2-CG 4.48Å; F108-L160 HydrophobicContact CE2-CD2 4.05Å; L160-A164 WeakPolarHBondContact O-CB 3.39Å; L160-A164 PolarHBondContact O-N 2.99Å
161A96.5Very high95.8Very high2 Ų239.8 Ų39.82%0.01724%0.242CC..Hα-helixtrans-62-47178.900000112.2V90 F108 L111 Q159 A164 A165V90-A161 HydrophobicContact CB-CB 4.4Å; V90-A161 HydrophobicContact CG1-CB 4.37Å; F108-A161 HydrophobicContact CD2-CB 3.5Å; F108-A161 HydrophobicContact CE2-CB 4.09Å; F108-A161 HydrophobicContact CG-CB 4.32Å; L111-A161 HydrophobicContact CD1-CB 4.43Å; L111-A161 WeakPolarHBondContact CD2-O 3.32Å; Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.28Å; Q159-A161 VanDerWaalsContact O-N 3.16Å; A161-A164 PolarHBondContact O-N 3.05Å; A161-A165 PolarHBondContact O-N 3.13Å; A161-A165 VanDerWaalsContact O-N 3.12Å
162Y95.8Very high96Very high35 Ų3542 Ų4214%0.13725%0.252CS..Hα-helixtrans-67.5-40.2-179.6-176.9-107.4000112.6L111 S149 A151 Q159 A165 S166L111-Y162 HydrophobicContact CD1-CD2 4.2Å; S149-Y162 WeakPolarHBondContact OG-CE1 3.21Å; A151-Y162 HydrophobicContact CB-CD1 3.75Å; A151-Y162 HydrophobicContact CB-CE1 3.9Å; Q159-Y162 PolarHBondContact O-N 3.43Å; Y162-A165 PolarHBondContact O-N 3.15Å; Y162-S166 WeakPolarHBondContact O-CB 3.38Å; Y162-S166 PolarHBondContact O-N 3.14Å; Y162-S166 PolarHBondContact O-OG 3.38Å
163A96.9Very high96.1Very high21 Ų2140.6 Ų40.617%0.17424%0.24CC..Hα-helixtrans-61.7-43.1173.100000111.3A151 Q159 S166 G167A151-A163 WeakPolarHBondContact O-CB 3.48Å; Q159-A163 WeakPolarHBondContact O-CB 3.08Å; Q159-A163 PolarHBondContact O-N 2.69Å; A163-S166 PolarHBondContact O-N 2.72Å; A163-G167 PolarHBondContact O-N 3.03Å
164A97.9Very high96.2Very high45 Ų4540 Ų4037%0.37224%0.241SC..Hα-helixtrans-61.5-47.3177.400000112.2F108 L160 A161 G167 A168F108-A164 HydrophobicContact CE2-CB 4.29Å; F108-A164 HydrophobicContact CZ-CB 4.32Å; L160-A164 WeakPolarHBondContact O-CB 3.39Å; L160-A164 PolarHBondContact O-N 2.99Å; A161-A164 PolarHBondContact O-N 3.05Å; A164-G167 PolarHBondContact O-N 3.24Å; A164-A168 PolarHBondContact O-N 3.5Å
165A98.1Very high96.4Very high1 Ų140.5 Ų40.51%0.00825%0.247CC..Hα-helixtrans-67.3-39.9177.600000113L111 N115 V116 A161 Y162 G167 A168 L169L111-A165 HydrophobicContact CD2-CB 3.26Å; L111-A165 HydrophobicContact CG-CB 4.46Å; N115-A165 HydrophobicContact CB-CB 4.04Å; V116-A165 HydrophobicContact CG2-CB 3.63Å; A161-A165 PolarHBondContact O-N 3.13Å; A161-A165 VanDerWaalsContact O-N 3.12Å; Y162-A165 PolarHBondContact O-N 3.15Å; A165-G167 VanDerWaalsContact C-N 3.31Å; A165-G167 PolarHBondContact O-N 3.15Å; A165-A168 WeakPolarHBondContact O-CB 3.47Å; A165-A168 PolarHBondContact O-N 3.36Å; A165-L169 PolarHBondContact O-N 2.93Å; A165-L169 VanDerWaalsContact O-N 3.15Å
166S98.1Very high96.8Very high4 Ų439.9 Ų39.93%0.02823%0.234CC..Hα-helixtrans-64.3-38.6175.5-57.80000111.3Y162 A163 A168 L169 N170Y162-S166 WeakPolarHBondContact O-CB 3.38Å; Y162-S166 PolarHBondContact O-N 3.14Å; Y162-S166 PolarHBondContact O-OG 3.38Å; A163-S166 PolarHBondContact O-N 2.72Å; S166-A168 VanDerWaalsContact C-N 3.34Å; S166-L169 WeakPolarHBondContact O-CB 3.37Å; S166-L169 PolarHBondContact O-N 3.19Å; S166-N170 PolarHBondContact O-N 3.44Å; S166-N170 PolarHBondContact O-OD1 3.2Å
167G98.5Very high97.1Very high17 Ų1738 Ų3818%0.17523%0.226CC..Hα-helixtrans-66-33.4173.900000113.2A163 A164 A165 N170 S171A163-G167 PolarHBondContact O-N 3.03Å; A164-G167 PolarHBondContact O-N 3.24Å; A165-G167 VanDerWaalsContact C-N 3.31Å; A165-G167 PolarHBondContact O-N 3.15Å; G167-N170 PolarHBondContact O-N 2.88Å; G167-S171 WeakPolarHBondContact O-CB 3.24Å; G167-S171 PolarHBondContact O-N 3.48Å; G167-S171 PolarHBondContact O-OG 2.87Å
168A98.7Very high97.5Very high32 Ų3238.9 Ų38.926%0.26422%0.223SC..Hα-helixtrans-62.8-44171.200000111.2V116 A164 A165 S166 S171 M172V116-A168 HydrophobicContact CG1-CB 3.91Å; V116-A168 HydrophobicContact CG2-CB 3.91Å; A164-A168 PolarHBondContact O-N 3.5Å; A165-A168 WeakPolarHBondContact O-CB 3.47Å; A165-A168 PolarHBondContact O-N 3.36Å; S166-A168 VanDerWaalsContact C-N 3.34Å; A168-S171 PolarHBondContact O-N 3.23Å; A168-M172 VanDerWaalsContact O-CG 3.31Å; A168-M172 WeakPolarHBondContact O-CG 3.38Å; A168-M172 PolarHBondContact O-N 3.3Å
169L98.7Very high97.9Very high7 Ų742.7 Ų42.74%0.03724%0.239CC..Hα-helixtrans-60.1-46.9174.5-60.9-172000111.7N119 V147 A165 S166 S171 M172 T173N119-L169 HydrophobicContact CB-CD2 3.92Å; V147-L169 WeakPolarHBondContact O-CD1 3.33Å; A165-L169 PolarHBondContact O-N 2.93Å; A165-L169 VanDerWaalsContact O-N 3.15Å; S166-L169 WeakPolarHBondContact O-CB 3.37Å; S166-L169 PolarHBondContact O-N 3.19Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.49Å; L169-M172 HydrophobicContact CD2-CE 3.36Å; L169-M172 HydrophobicContact CG-CE 4.48Å; L169-M172 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-N 3.02Å; L169-T173 PolarHBondContact O-OG1 3.3Å
170N98.7Very high98.1Very high22 Ų2241.3 Ų41.312%0.11823%0.233CC..Hα-helixtrans-57.8-42.2176.2-69.73000112.1S148 A152 F153 S166 G167 M172 T173 V244S148-N170 WeakPolarHBondContact CB-OD1 3.34Å; S148-N170 PolarHBondContact OG-OD1 3.48Å; A152-N170 WeakPolarHBondContact CB-ND2 3.39Å; F153-N170 VanDerWaalsContact CZ-ND2 3.32Å; F153-N170 WeakPolarHBondContact CZ-ND2 3.4Å; S166-N170 PolarHBondContact O-N 3.44Å; S166-N170 PolarHBondContact O-OD1 3.2Å; G167-N170 PolarHBondContact O-N 2.88Å; N170-M172 VanDerWaalsContact C-N 3.33Å; N170-T173 WeakPolarHBondContact O-CB 3.35Å; N170-T173 PolarHBondContact O-N 3.22Å; N170-T173 PolarHBondContact O-OG1 3.05Å; N170-V244 HydrophobicContact CB-CG1 4.37Å; N170-V244 HydrophobicContact CB-CG2 4.06Å; N170-V244 WeakPolarHBondContact OD1-CG1 3.31Å
171S98.7Very high98.2Very high91 Ų9139.2 Ų39.264%0.63623%0.23SC*.Hα-helixtrans-71.4-28.7-178.6-58.10000112.6G167 A168 L169 P175G167-S171 WeakPolarHBondContact O-CB 3.24Å; G167-S171 PolarHBondContact O-N 3.48Å; G167-S171 PolarHBondContact O-OG 2.87Å; A168-S171 PolarHBondContact O-N 3.23Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.49Å; S171-P175 VanDerWaalsContact O-CD 3.27Å; S171-P175 WeakPolarHBondContact O-CD 3.26Å; S171-P175 WeakPolarHBondContact O-CG 3.15Å
172M98.6Very high98.1Very high50 Ų5047.9 Ų47.925%0.24626%0.262CS..Hα-helixtrans-76.2-21.8176.4-72.5-173.4-59.400113.3V116 A168 L169 N170 L174 P175 L176V116-M172 HydrophobicContact CG1-CE 4.1Å; A168-M172 VanDerWaalsContact O-CG 3.31Å; A168-M172 WeakPolarHBondContact O-CG 3.38Å; A168-M172 PolarHBondContact O-N 3.3Å; L169-M172 HydrophobicContact CD2-CE 3.36Å; L169-M172 HydrophobicContact CG-CE 4.48Å; L169-M172 PolarHBondContact O-N 3.49Å; N170-M172 VanDerWaalsContact C-N 3.33Å; M172-L174 PolarHBondContact O-N 3.42Å; M172-P175 WeakPolarHBondContact O-CD 3.46Å; M172-P175 WeakPolarHBondContact O-CG 3.42Å; M172-L176 WeakPolarHBondContact O-CB 3.44Å; M172-L176 PolarHBondContact O-N 2.77Å
173T98.8Very high98.2Very high1 Ų149.3 Ų49.31%0.00627%0.269CS..Hα-helixtrans-58-54.5-171.9-54.20000113.6L169 N170 L176 A177 T189 E243 V244L169-T173 PolarHBondContact O-N 3.02Å; L169-T173 PolarHBondContact O-OG1 3.3Å; N170-T173 WeakPolarHBondContact O-CB 3.35Å; N170-T173 PolarHBondContact O-N 3.22Å; N170-T173 PolarHBondContact O-OG1 3.05Å; T173-L176 PolarHBondContact O-N 3.36Å; T173-A177 WeakPolarHBondContact O-CB 3.48Å; T173-A177 PolarHBondContact O-N 3.23Å; T173-T189 WeakPolarHBondContact OG1-CB 3.25Å; T173-T189 PolarHBondContact OG1-OG1 3.36Å; T173-E243 WeakPolarHBondContact CG2-O 3.44Å; T173-V244 HydrophobicContact CG2-CG2 4.32Å
174L98.8Very high98.2Very high79 Ų7949.2 Ų49.241%0.41427%0.27SS..Hα-helixtrans-64.3-49.3-177.6-17961.7000113.4M172 L176 A177 R178M172-L174 PolarHBondContact O-N 3.42Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 3.23Å; L174-A177 PolarHBondContact O-N 3.25Å; L174-R178 HydrophobicContact CD1-CG 4.46Å; L174-R178 WeakPolarHBondContact O-CG 3.31Å; L174-R178 PolarHBondContact O-N 2.91Å; L174-R178 VanDerWaalsContact O-N 3.07Å
175P98.7Very high98.2Very high64 Ų6447.1 Ų47.142%0.41625%0.253SS..Hα-helixtrans-63.4-38.5176.422-30.8000112.3S171 M172 A177 R178 D179S171-P175 VanDerWaalsContact O-CD 3.27Å; S171-P175 WeakPolarHBondContact O-CD 3.26Å; S171-P175 WeakPolarHBondContact O-CG 3.15Å; M172-P175 WeakPolarHBondContact O-CD 3.46Å; M172-P175 WeakPolarHBondContact O-CG 3.42Å; P175-A177 PolarHBondContact O-N 3.29Å; P175-R178 PolarHBondContact O-N 2.85Å; P175-D179 PolarHBondContact O-N 3.32Å
176L98.7Very high98.2Very high26 Ų2647.8 Ų47.814%0.13626%0.255CS..Hα-helixtrans-59.5-48.1174.9177.761.2000111.5V123 I144 M172 T173 L174 R178 D179 C180 A187V123-L176 HydrophobicContact CG1-CD1 3.69Å; V123-L176 HydrophobicContact CG1-CD2 3.79Å; V123-L176 HydrophobicContact CG1-CG 4.41Å; I144-L176 HydrophobicContact CD1-CD1 4.44Å; I144-L176 HydrophobicContact CD1-CD2 4.45Å; I144-L176 HydrophobicContact CG2-CD2 4.1Å; M172-L176 WeakPolarHBondContact O-CB 3.44Å; M172-L176 PolarHBondContact O-N 2.77Å; T173-L176 PolarHBondContact O-N 3.36Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 3.23Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.48Å; L176-D179 PolarHBondContact O-N 3.07Å; L176-C180 VanDerWaalsContact O-CB 3.26Å; L176-C180 WeakPolarHBondContact O-CB 3.4Å; L176-C180 PolarHBondContact O-N 3.44Å; L176-C180 PolarHBondContact O-SG 3.2Å; L176-A187 HydrophobicContact CB-CB 4.22Å; L176-A187 HydrophobicContact CD2-CB 3.7Å; L176-A187 HydrophobicContact CG-CB 3.61Å
177A98.8Very high98.3Very high3 Ų347.6 Ų47.63%0.02525%0.254CS..Hα-helixtrans-58.7-38.617700000112.3T173 L174 P175 A181 A187 N241 G242T173-A177 WeakPolarHBondContact O-CB 3.48Å; T173-A177 PolarHBondContact O-N 3.23Å; L174-A177 PolarHBondContact O-N 3.25Å; P175-A177 PolarHBondContact O-N 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.48Å; A177-A187 HydrophobicContact CB-CB 4.11Å; A177-N241 WeakPolarHBondContact CB-OD1 3.34Å; A177-G242 VanDerWaalsContact CB-CA 3.46Å
178R98.7Very high98.3Very high172 Ų17246.8 Ų46.865%0.64925%0.245SC*.Hα-helixtrans-70.8-42.4178-72.6173.1173.6174.7-1.2112.8L174 P175 L176 C180 A181L174-R178 HydrophobicContact CD1-CG 4.46Å; L174-R178 WeakPolarHBondContact O-CG 3.31Å; L174-R178 PolarHBondContact O-N 2.91Å; L174-R178 VanDerWaalsContact O-N 3.07Å; P175-R178 PolarHBondContact O-N 2.85Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.48Å; R178-C180 VanDerWaalsContact C-N 3.27Å; R178-C180 PolarHBondContact O-N 3.37Å; R178-A181 PolarHBondContact O-N 3.05Å
179D98.2Very high98.3Very high95 Ų9545.3 Ų45.351%0.50823%0.233SC..Hα-helixtrans-65-34.9177.1-82.9-17.7000112.1P175 L176 R182 F183P175-D179 PolarHBondContact O-N 3.32Å; L176-D179 PolarHBondContact O-N 3.07Å; D179-R182 PolarHBondContact O-NE 2.58Å; D179-F183 WeakPolarHBondContact O-CE2 3.43Å
180C98.2Very high98.3Very high2 Ų245 Ų451%0.01423%0.231CC..Hα-helixtrans-85.3-19.1-179.7-74.30000114.3L176 R178 R182 F183 I185L176-C180 VanDerWaalsContact O-CB 3.26Å; L176-C180 WeakPolarHBondContact O-CB 3.4Å; L176-C180 PolarHBondContact O-N 3.44Å; L176-C180 PolarHBondContact O-SG 3.2Å; R178-C180 VanDerWaalsContact C-N 3.27Å; R178-C180 PolarHBondContact O-N 3.37Å; C180-R182 VanDerWaalsContact C-N 3.33Å; C180-R182 PolarHBondContact O-N 2.87Å; C180-F183 WeakPolarHBondContact O-CA 3.27Å; C180-F183 VanDerWaalsContact O-CB 3.31Å; C180-F183 WeakPolarHBondContact O-CB 3.43Å; C180-F183 PolarHBondContact O-N 3.09Å; C180-I185 CarbonylContact C-O 3.56Å; C180-I185 HydrophobicContact CB-CB 3.9Å; C180-I185 HydrophobicContact CB-CG2 4.01Å; C180-I185 VanDerWaalsContact CB-O 3.25Å; C180-I185 WeakPolarHBondContact CB-O 3.22Å; C180-I185 PolarHBondContact O-N 3.21Å
181A97.6Very high98.3Very high55 Ų5543.9 Ų43.946%0.45523%0.225SC..Hα-helixtrans-55.8-43.4-176.100000113.2A177 R178 F183 G184A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.48Å; R178-A181 PolarHBondContact O-N 3.05Å; A181-F183 PolarHBondContact O-N 3.39Å; A181-F183 VanDerWaalsContact O-N 3.07Å; A181-G184 PolarHBondContact O-N 3.41Å
182R95.6Very high98.2Very high184 Ų18440 Ų4069%0.69420%0.198SC*.THydrogen-bonded Turntrans-62.9-14.5177.162.8176166.3-134.4-12.6114.3D179 C180D179-R182 PolarHBondContact O-NE 2.58Å; C180-R182 VanDerWaalsContact C-N 3.33Å; C180-R182 PolarHBondContact O-N 2.87Å
183F97Very high98Very high65 Ų6538.2 Ų38.229%0.28519%0.192SC..THydrogen-bonded Turntrans-98-1.7178.5-55.8-42.7000112.7I127 L131 R141 D179 C180 A181 I185I127-F183 HydrophobicContact CG2-CD2 4.46Å; L131-F183 HydrophobicContact CD2-CB 3.61Å; L131-F183 HydrophobicContact CD2-CD1 3.8Å; L131-F183 HydrophobicContact CD2-CG 3.74Å; R141-F183 VanDerWaalsContact CD-O 3.26Å; R141-F183 WeakPolarHBondContact CD-O 3.26Å; R141-F183 WeakPolarHBondContact CG-O 3.21Å; D179-F183 WeakPolarHBondContact O-CE2 3.43Å; C180-F183 WeakPolarHBondContact O-CA 3.27Å; C180-F183 VanDerWaalsContact O-CB 3.31Å; C180-F183 WeakPolarHBondContact O-CB 3.43Å; C180-F183 PolarHBondContact O-N 3.09Å; A181-F183 PolarHBondContact O-N 3.39Å; A181-F183 VanDerWaalsContact O-N 3.07Å; F183-I185 VanDerWaalsContact C-N 3.28Å; F183-I185 HydrophobicContact CB-CD1 4.03Å; F183-I185 HydrophobicContact CB-CG1 4.19Å
184G97.3Very high97.8Very high18 Ų1839.4 Ų39.419%0.18620%0.198CC..THydrogen-bonded Turntrans67.330.3-169.400000111.9E140 R141 A181E140-G184 CarbonylContact C-O 3.56Å; E140-G184 WeakPolarHBondContact CA-O 3.33Å; R141-G184 PolarHBondContact N-O 3.07Å; A181-G184 PolarHBondContact O-N 3.41Å
185I98.5Very high97.6Very high1 Ų136.1 Ų36.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-113.6126.6178.5-63.7168.1000109.1I127 M130 R141 G142 I144 C180 F183I127-I185 HydrophobicContact CG2-CD1 4.22Å; M130-I185 HydrophobicContact CB-CD1 3.67Å; M130-I185 HydrophobicContact CB-CG1 4.35Å; M130-I185 HydrophobicContact SD-CD1 4.2Å; M130-I185 HydrophobicContact SD-CG1 4.49Å; M130-I185 HydrophobicContact SD-CG2 4.11Å; R141-I185 HydrophobicContact CB-CG1 4.05Å; G142-I185 VanDerWaalsContact O-CA 3.25Å; G142-I185 WeakPolarHBondContact O-CA 3.24Å; I144-I185 HydrophobicContact CD1-CG2 3.9Å; I144-I185 HydrophobicContact CG1-CG2 4.3Å; C180-I185 CarbonylContact C-O 3.56Å; C180-I185 HydrophobicContact CB-CB 3.9Å; C180-I185 HydrophobicContact CB-CG2 4.01Å; C180-I185 VanDerWaalsContact CB-O 3.25Å; C180-I185 WeakPolarHBondContact CB-O 3.22Å; C180-I185 PolarHBondContact O-N 3.21Å; F183-I185 VanDerWaalsContact C-N 3.28Å; F183-I185 HydrophobicContact CB-CD1 4.03Å; F183-I185 HydrophobicContact CB-CG1 4.19Å
186R98.4Very high97.3Very high16 Ų1635.5 Ų35.56%0.0617%0.174CC..EExtended strand (participates in β ladder)trans-90.2155.8174-66.1-174.2-63.2132.4-9.8111.3E140 G142 I143 I144 V234 I235 N237 P238 I240 N241E140-R186 IonicContact OE1-CZ 3.76Å; E140-R186 IonicContact OE1-NE 3.41Å; E140-R186 PolarHBondContact OE1-NE 2.83Å; E140-R186 IonicContact OE1-NH2 2.8Å; E140-R186 PolarHBondContact OE1-NH2 2.7Å; E140-R186 VanDerWaalsContact OE1-NH2 3.1Å; E140-R186 IonicContact OE2-CZ 3.43Å; E140-R186 IonicContact OE2-NE 3.37Å; E140-R186 PolarHBondContact OE2-NE 3.25Å; E140-R186 IonicContact OE2-NH2 3.57Å; E140-R186 PolarHBondContact OE2-NH2 3.24Å; E140-R186 VanDerWaalsContact OE2-NH2 3.17Å; G142-R186 PolarHBondContact O-N 3.48Å; I143-R186 WeakPolarHBondContact CA-O 3.27Å; I143-R186 HydrophobicContact CB-CB 4.37Å; I143-R186 HydrophobicContact CD1-CB 4.33Å; I143-R186 HydrophobicContact CG1-CB 3.98Å; I144-R186 PolarHBondContact N-O 3.45Å; R186-V234 PolarHBondContact NH1-O 3.15Å; R186-V234 PolarHBondContact NH2-O 3.3Å; R186-I235 PolarHBondContact NH2-O 3Å; R186-N237 PolarHBondContact NH1-O 3.43Å; R186-P238 VanDerWaalsContact CD-O 3.28Å; R186-P238 WeakPolarHBondContact CD-O 3.2Å; R186-I240 PolarHBondContact NH1-O 3.46Å; R186-N241 VanDerWaalsContact CA-OD1 3.32Å; R186-N241 WeakPolarHBondContact CA-OD1 3.49Å; R186-N241 HydrophobicContact CB-CB 4.44Å; R186-N241 WeakPolarHBondContact CB-OD1 3.49Å; R186-N241 HydrophobicContact CG-CB 4.15Å
187A98.8Very high97Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-138.2132170.500000110.8I144 L176 A177 N241 G242I144-A187 HydrophobicContact CB-CB 4.24Å; I144-A187 CarbonylContact O-C 3.29Å; I144-A187 VanDerWaalsContact O-CA 3.29Å; I144-A187 WeakPolarHBondContact O-CA 3.34Å; L176-A187 HydrophobicContact CB-CB 4.22Å; L176-A187 HydrophobicContact CD2-CB 3.7Å; L176-A187 HydrophobicContact CG-CB 3.61Å; A177-A187 HydrophobicContact CB-CB 4.11Å; A187-N241 PolarHBondContact N-OD1 3.41Å; A187-N241 PolarHBondContact O-OD1 3.1Å; A187-G242 WeakPolarHBondContact O-CA 3.33Å; A187-G242 PolarHBondContact O-N 3.35Å
188V98.9Very high96.4Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-139.9145.6-176.2-179.90000108.4I143 I144 I145 Q146 V234 I240 E243 I245I143-V188 HydrophobicContact CD1-CG2 4.4Å; I144-V188 PolarHBondContact O-N 2.93Å; I145-V188 CarbonylContact C-O 3.57Å; I145-V188 WeakPolarHBondContact CA-O 3.45Å; Q146-V188 PolarHBondContact N-O 3.23Å; V188-V234 HydrophobicContact CB-CG1 3.87Å; V188-V234 HydrophobicContact CG1-CG1 3.93Å; V188-V234 HydrophobicContact CG1-CG2 4.34Å; V188-V234 HydrophobicContact CG2-CG1 3.83Å; V188-I240 HydrophobicContact CG1-CG2 4.14Å; V188-I240 HydrophobicContact CG2-CG2 3.89Å; V188-E243 WeakPolarHBondContact CG1-O 3.4Å; V188-I245 HydrophobicContact CG1-CD1 3.86Å; V188-I245 HydrophobicContact CG1-CG1 4.24Å
189T98.9Very high95.6Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-112136.4168.7-68.90000109.7Q146 S148 T173 E243 V244 I245Q146-T189 CarbonylContact O-C 3.54Å; Q146-T189 VanDerWaalsContact O-CA 3.3Å; Q146-T189 WeakPolarHBondContact O-CA 3.39Å; S148-T189 VanDerWaalsContact OG-CG2 3.24Å; S148-T189 WeakPolarHBondContact OG-CG2 3.45Å; T173-T189 WeakPolarHBondContact OG1-CB 3.25Å; T173-T189 PolarHBondContact OG1-OG1 3.36Å; T189-E243 PolarHBondContact N-O 3.24Å; T189-V244 HydrophobicContact CG2-CG1 4.03Å; T189-V244 CarbonylContact O-C 3.43Å; T189-V244 VanDerWaalsContact O-CA 3.31Å; T189-V244 WeakPolarHBondContact O-CA 3.37Å; T189-I245 PolarHBondContact O-N 3.34Å
190I98.9Very high94.9Very high0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-105126.7170-56.5174.1000107.9I145 Q146 V147 S148 P192 F227 M230 V231 V234 I245 I247I145-I190 HydrophobicContact CG2-CD1 3.8Å; I145-I190 HydrophobicContact CG2-CG1 4.12Å; Q146-I190 PolarHBondContact O-N 3.48Å; V147-I190 WeakPolarHBondContact CA-O 3.44Å; S148-I190 PolarHBondContact N-O 2.8Å; I190-P192 WeakPolarHBondContact O-CD 3.12Å; I190-F227 HydrophobicContact CB-CE2 3.95Å; I190-F227 HydrophobicContact CB-CZ 4.25Å; I190-F227 HydrophobicContact CD1-CE2 4.42Å; I190-F227 HydrophobicContact CD1-CZ 4.24Å; I190-F227 HydrophobicContact CG2-CD2 4.15Å; I190-F227 HydrophobicContact CG2-CE2 3.5Å; I190-F227 VanDerWaalsContact CG2-CE2 3.5Å; I190-F227 HydrophobicContact CG2-CZ 4.25Å; I190-M230 HydrophobicContact CD1-CG 3.98Å; I190-M230 HydrophobicContact CG2-CG 4.4Å; I190-V231 HydrophobicContact CD1-CG2 3.82Å; I190-V234 HydrophobicContact CD1-CG2 4.21Å; I190-I245 CarbonylContact C-O 3.51Å; I190-I245 WeakPolarHBondContact CA-O 3.49Å; I190-I247 HydrophobicContact CG2-CG2 3.4Å
191A98.2Very high94.2Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-106.187.5178.700000110S148 F153 V244 I245 R246 I247S148-A191 WeakPolarHBondContact OG-CB 3.48Å; F153-A191 HydrophobicContact CE2-CB 3.73Å; A191-V244 HydrophobicContact CB-CG1 4.05Å; A191-I245 PolarHBondContact N-O 2.86Å; A191-R246 HydrophobicContact CB-CG 4.38Å; A191-R246 WeakPolarHBondContact O-CA 3.46Å; A191-I247 PolarHBondContact O-N 3.15Å; A191-I247 VanDerWaalsContact O-N 3.14Å
192P97.4Very high93.5Very high9 Ų937.2 Ų37.26%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-68.6145177.128.3-35.1000111.8L18 V147 S148 T150 I190 F195 F227 I247L18-P192 HydrophobicContact CD1-CB 4.36Å; L18-P192 HydrophobicContact CD1-CG 4Å; V147-P192 HydrophobicContact CG1-CG 3.9Å; S148-P192 WeakPolarHBondContact O-CD 3.47Å; T150-P192 PolarHBondContact N-O 2.91Å; I190-P192 WeakPolarHBondContact O-CD 3.12Å; P192-F195 HydrophobicContact CB-CD2 3.59Å; P192-F195 HydrophobicContact CB-CE2 3.55Å; P192-F195 HydrophobicContact CB-CZ 4.5Å; P192-F227 HydrophobicContact CB-CD2 4.31Å; P192-F227 HydrophobicContact CB-CE2 4.43Å; P192-F227 HydrophobicContact CG-CE2 4.35Å; P192-I247 WeakPolarHBondContact CA-O 3.37Å; P192-I247 HydrophobicContact CB-CG2 4.37Å
193G94.7Very high92.9Very high12 Ų1231.9 Ų31.912%0.12418%0.176CC..  trans-75.7-133.3161.300000111I247G193-I247 PolarHBondContact N-O 2.84Å
194L93.2Very high92.4Very high26 Ų2633 Ų3314%0.13619%0.19CC..SBendtrans-91.3116.9-179.9-63.9172.9000111.2F211 M221 G222 L251L194-F211 HydrophobicContact CD1-CB 3.31Å; L194-F211 HydrophobicContact CD1-CD1 4.45Å; L194-F211 HydrophobicContact CD1-CD2 3.7Å; L194-F211 HydrophobicContact CD1-CG 3.6Å; L194-F211 HydrophobicContact CD2-CD2 4.3Å; L194-M221 HydrophobicContact CB-CG 4.07Å; L194-M221 CarbonylContact O-C 3.54Å; L194-M221 VanDerWaalsContact O-CA 3.27Å; L194-M221 WeakPolarHBondContact O-CA 3.45Å; L194-M221 WeakPolarHBondContact O-CB 3.5Å; L194-G222 PolarHBondContact O-N 3.41Å; L194-L251 HydrophobicContact CB-CD2 4.48Å; L194-L251 HydrophobicContact CD1-CD2 3.66Å; L194-L251 HydrophobicContact CG-CD2 3.73Å
195F95.4Very high92Very high10 Ų1038 Ų384%0.04421%0.209CC..BIsolated β-bridgetrans-117.8149.3178-81-104.5000111L18 P192 T197 T200 G222 E223 E226 F227 I247L18-F195 HydrophobicContact CD2-CB 3.85Å; L18-F195 HydrophobicContact CD2-CD1 3.74Å; L18-F195 HydrophobicContact CD2-CG 3.87Å; P192-F195 HydrophobicContact CB-CD2 3.59Å; P192-F195 HydrophobicContact CB-CE2 3.55Å; P192-F195 HydrophobicContact CB-CZ 4.5Å; F195-T197 HydrophobicContact CB-CG2 3.99Å; F195-T197 PolarHBondContact O-N 2.7Å; F195-T200 WeakPolarHBondContact O-CB 3.4Å; F195-T200 WeakPolarHBondContact O-CG2 3.36Å; F195-T200 PolarHBondContact O-OG1 3.16Å; F195-G222 CarbonylContact C-O 3.57Å; F195-G222 WeakPolarHBondContact CA-O 3.38Å; F195-G222 WeakPolarHBondContact CD1-O 3.48Å; F195-E223 WeakPolarHBondContact CD1-O 3.32Å; F195-E223 WeakPolarHBondContact CE1-O 3.48Å; F195-E226 HydrophobicContact CE1-CB 4.5Å; F195-F227 HydrophobicContact CD1-CB 4.15Å; F195-F227 HydrophobicContact CE1-CB 3.71Å; F195-F227 HydrophobicContact CZ-CB 4.32Å; F195-I247 HydrophobicContact CE1-CD1 4.33Å; F195-I247 HydrophobicContact CE2-CG1 4.34Å; F195-I247 WeakPolarHBondContact CE2-O 3.21Å; F195-I247 HydrophobicContact CZ-CD1 3.6Å; F195-I247 HydrophobicContact CZ-CG1 3.78Å; F195-I247 HydrophobicContact CZ-CG2 4.47Å
196N93Very high91.5Very high51 Ų5146.9 Ų46.927%0.27325%0.247SC..  trans-69.699.2172.3-73.7-34.9000109.6M221 G222 E223 P224N196-M221 WeakPolarHBondContact OD1-CB 3.41Å; N196-M221 PolarHBondContact OD1-SD 2.92Å; N196-M221 VanDerWaalsContact OD1-SD 3.37Å; N196-G222 PolarHBondContact N-O 3.48Å; N196-E223 PolarHBondContact ND2-OE1 3.3Å; N196-P224 WeakPolarHBondContact O-CG 3.49Å
197T91.2Very high91Very high17 Ų1748.5 Ų48.510%0.10426%0.259CS..SBendtrans-142.4161-178.466.50000109.4L18 F195 L199 T200 S201L18-T197 HydrophobicContact CD2-CG2 3.89Å; L18-T197 HydrophobicContact CG-CG2 3.91Å; F195-T197 HydrophobicContact CB-CG2 3.99Å; F195-T197 PolarHBondContact O-N 2.7Å; T197-L199 PolarHBondContact O-N 3.04Å; T197-L199 VanDerWaalsContact O-N 3.09Å; T197-L199 PolarHBondContact OG1-N 3.09Å; T197-T200 PolarHBondContact N-OG1 3.18Å; T197-T200 PolarHBondContact O-N 2.93Å; T197-T200 VanDerWaalsContact O-N 3.1Å; T197-T200 PolarHBondContact O-OG1 3.41Å; T197-T200 PolarHBondContact OG1-N 2.87Å; T197-T200 PolarHBondContact OG1-OG1 3.46Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.17Å
198P86.9Confident90.4Very high76 Ų7650.3 Ų50.349%0.49427%0.267SS..Hα-helixtrans-54.4-30.9173.4-28.537.6000113.8
199L81.6Confident89.9Confident63 Ų6355 Ų5533%0.3329%0.288SS..Hα-helixtrans-63.8-45.2177.7-172.669.6000112.1T197 M202T197-L199 PolarHBondContact O-N 3.04Å; T197-L199 VanDerWaalsContact O-N 3.09Å; T197-L199 PolarHBondContact OG1-N 3.09Å; L199-M202 HydrophobicContact CD1-CE 3.75Å; L199-M202 WeakPolarHBondContact O-CE 3.14Å
200T83.3Confident89.4Confident13 Ų1360.4 Ų60.48%0.0831%0.311CS..Hα-helixtrans-81.4-26.1-179.8490000112.7F195 T197 M202 Y203F195-T200 WeakPolarHBondContact O-CB 3.4Å; F195-T200 WeakPolarHBondContact O-CG2 3.36Å; F195-T200 PolarHBondContact O-OG1 3.16Å; T197-T200 PolarHBondContact N-OG1 3.18Å; T197-T200 PolarHBondContact O-N 2.93Å; T197-T200 VanDerWaalsContact O-N 3.1Å; T197-T200 PolarHBondContact O-OG1 3.41Å; T197-T200 PolarHBondContact OG1-N 2.87Å; T197-T200 PolarHBondContact OG1-OG1 3.46Å; T200-M202 PolarHBondContact O-N 3.12Å; T200-M202 VanDerWaalsContact O-N 3.14Å; T200-Y203 HydrophobicContact CG2-CE2 4.25Å; T200-Y203 WeakPolarHBondContact O-CB 3.15Å; T200-Y203 VanDerWaalsContact O-CD2 3.31Å; T200-Y203 WeakPolarHBondContact O-CD2 3.45Å; T200-Y203 PolarHBondContact O-N 3.14Å
201S84.6Confident88.8Confident76 Ų7661.8 Ų61.853%0.53132%0.317SS..Hα-helixtrans-61.4-18.2173.5-63.40000113.5T197 Y203T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.17Å; S201-Y203 VanDerWaalsContact C-N 3.26Å; S201-Y203 PolarHBondContact O-N 2.98Å
202M82.6Confident88.4Confident144 Ų14464.3 Ų64.371%0.70933%0.329SS*.THydrogen-bonded Turntrans-71.3-18.1173.2-67.6-168.6-75.800113.4L199 T200L199-M202 HydrophobicContact CD1-CE 3.75Å; L199-M202 WeakPolarHBondContact O-CE 3.14Å; T200-M202 PolarHBondContact O-N 3.12Å; T200-M202 VanDerWaalsContact O-N 3.14Å
203Y81.8Confident88.1Confident72 Ų7273.8 Ų73.828%0.28236%0.364SS..SBendtrans-70.7141.1175.2-65.2-49.1000110.9T200 S201 V207 Q208 F211T200-Y203 HydrophobicContact CG2-CE2 4.25Å; T200-Y203 WeakPolarHBondContact O-CB 3.15Å; T200-Y203 VanDerWaalsContact O-CD2 3.31Å; T200-Y203 WeakPolarHBondContact O-CD2 3.45Å; T200-Y203 PolarHBondContact O-N 3.14Å; S201-Y203 VanDerWaalsContact C-N 3.26Å; S201-Y203 PolarHBondContact O-N 2.98Å; Y203-V207 HydrophobicContact CG-CG1 4.33Å; Y203-Q208 PolarHBondContact O-NE2 3.49Å; Y203-F211 HydrophobicContact CD2-CE2 4.18Å; Y203-F211 HydrophobicContact CE2-CE2 4.18Å
204P87Confident87.9Confident88 Ų8875.7 Ų75.757%0.57137%0.371SS*.  trans-54.2143.9171.6-24.333.2000111.5K206 V207 Q208P204-K206 PolarHBondContact O-N 2.99Å; P204-V207 HydrophobicContact CB-CG2 4.25Å; P204-V207 HydrophobicContact CG-CG2 4.28Å; P204-V207 WeakPolarHBondContact O-CA 3.09Å; P204-V207 WeakPolarHBondContact O-CB 3.29Å; P204-V207 PolarHBondContact O-N 3.38Å; P204-Q208 PolarHBondContact O-N 3.39Å; P204-Q208 VanDerWaalsContact O-N 3.07Å
205E89.1Confident87.9Confident125 Ų12574.8 Ų74.858%0.58437%0.366SS*.Hα-helixtrans-53.1-36.4-176.8-168.2-167.5164.700113V207 Q208 K209E205-V207 VanDerWaalsContact C-N 3.32Å; E205-V207 PolarHBondContact O-N 2.89Å; E205-Q208 PolarHBondContact O-N 3.27Å; E205-K209 WeakPolarHBondContact O-CG 3.35Å; E205-K209 PolarHBondContact O-N 3.32Å; E205-K209 WeakPolarHBondContact OE1-CE 3.28Å; E205-K209 IonicContact OE1-NZ 2.66Å; E205-K209 PolarHBondContact OE1-NZ 2.84Å
206K88.8Confident87.9Confident187 Ų18778.2 Ų78.281%0.81339%0.39SS*.Hα-helixtrans-60.9-39.8175.2-70.1-175.9179.6178.70112.5P204 F210P204-K206 PolarHBondContact O-N 2.99Å; K206-F210 VanDerWaalsContact O-CB 3.31Å; K206-F210 WeakPolarHBondContact O-CB 3.5Å; K206-F210 PolarHBondContact O-N 3.02Å
207V86.3Confident88Confident49 Ų4984.8 Ų84.830%0.29741%0.412SS..Hα-helixtrans-69.6-43177.3176.50000109.9Y203 P204 E205 K209 F210 F211Y203-V207 HydrophobicContact CG-CG1 4.33Å; P204-V207 HydrophobicContact CB-CG2 4.25Å; P204-V207 HydrophobicContact CG-CG2 4.28Å; P204-V207 WeakPolarHBondContact O-CA 3.09Å; P204-V207 WeakPolarHBondContact O-CB 3.29Å; P204-V207 PolarHBondContact O-N 3.38Å; E205-V207 VanDerWaalsContact C-N 3.32Å; E205-V207 PolarHBondContact O-N 2.89Å; V207-K209 PolarHBondContact O-N 2.91Å; V207-F210 PolarHBondContact O-N 2.93Å; V207-F211 HydrophobicContact CG1-CD2 3.86Å; V207-F211 HydrophobicContact CG1-CE1 4.24Å; V207-F211 HydrophobicContact CG1-CE2 3.39Å; V207-F211 HydrophobicContact CG1-CG 4.46Å; V207-F211 HydrophobicContact CG1-CZ 3.61Å; V207-F211 WeakPolarHBondContact O-CB 3.37Å; V207-F211 VanDerWaalsContact O-CG 3.3Å; V207-F211 WeakPolarHBondContact O-CG 2.78Å; V207-F211 PolarHBondContact O-N 3.44Å
208Q86.6Confident88.2Confident38 Ų3885.9 Ų85.918%0.17842%0.42CS..Hα-helixtrans-59.4-48.4175.5-61.8-175.131.300111.8Y203 P204 E205 F210 F211 Q212 M221Y203-Q208 PolarHBondContact O-NE2 3.49Å; P204-Q208 PolarHBondContact O-N 3.39Å; P204-Q208 VanDerWaalsContact O-N 3.07Å; E205-Q208 PolarHBondContact O-N 3.27Å; Q208-F210 PolarHBondContact O-N 3.42Å; Q208-F211 PolarHBondContact O-N 2.93Å; Q208-Q212 VanDerWaalsContact O-CG 3.25Å; Q208-Q212 WeakPolarHBondContact O-CG 2.84Å; Q208-Q212 PolarHBondContact O-N 2.85Å; Q208-M221 HydrophobicContact CB-CE 3.69Å; Q208-M221 HydrophobicContact CG-CE 3.97Å
209K89.3Confident88.5Confident100 Ų10086.3 Ų86.344%0.43542%0.422SS..Hα-helixtrans-63.3-39.4176.8-75-179.8-178168.90112.8E205 V207 Q212 R213E205-K209 WeakPolarHBondContact O-CG 3.35Å; E205-K209 PolarHBondContact O-N 3.32Å; E205-K209 WeakPolarHBondContact OE1-CE 3.28Å; E205-K209 IonicContact OE1-NZ 2.66Å; E205-K209 PolarHBondContact OE1-NZ 2.84Å; V207-K209 PolarHBondContact O-N 2.91Å; K209-Q212 PolarHBondContact O-N 2.84Å; K209-R213 WeakPolarHBondContact O-CG 3.05Å; K209-R213 PolarHBondContact O-N 3.48Å
210F88Confident89.1Confident113 Ų11387.8 Ų87.850%0.49642%0.423SS..Hα-helixtrans-60.7-48.6175.4175.1-109.2000110.6K206 V207 Q208 Q212 R213 L214K206-F210 VanDerWaalsContact O-CB 3.31Å; K206-F210 WeakPolarHBondContact O-CB 3.5Å; K206-F210 PolarHBondContact O-N 3.02Å; V207-F210 PolarHBondContact O-N 2.93Å; Q208-F210 PolarHBondContact O-N 3.42Å; F210-Q212 PolarHBondContact O-N 3.13Å; F210-R213 PolarHBondContact O-N 3.23Å; F210-L214 HydrophobicContact CD1-CD1 4.06Å; F210-L214 HydrophobicContact CE1-CD1 3.48Å; F210-L214 VanDerWaalsContact CE1-CD1 3.48Å; F210-L214 HydrophobicContact CE1-CG 4.4Å; F210-L214 HydrophobicContact CE2-CD1 4.35Å; F210-L214 HydrophobicContact CZ-CD1 3.66Å; F210-L214 HydrophobicContact CZ-CD2 4.49Å; F210-L214 HydrophobicContact CZ-CG 4.29Å; F210-L214 PolarHBondContact O-N 3.16Å
211F86.5Confident89.6Confident28 Ų2887.2 Ų87.212%0.12342%0.42CS..Hα-helixtrans-62.7-41.2177.4-73.8-18.5000114.1L194 Y203 V207 Q208 R213 L214 T215 L253L194-F211 HydrophobicContact CD1-CB 3.31Å; L194-F211 HydrophobicContact CD1-CD1 4.45Å; L194-F211 HydrophobicContact CD1-CD2 3.7Å; L194-F211 HydrophobicContact CD1-CG 3.6Å; L194-F211 HydrophobicContact CD2-CD2 4.3Å; Y203-F211 HydrophobicContact CD2-CE2 4.18Å; Y203-F211 HydrophobicContact CE2-CE2 4.18Å; V207-F211 HydrophobicContact CG1-CD2 3.86Å; V207-F211 HydrophobicContact CG1-CE1 4.24Å; V207-F211 HydrophobicContact CG1-CE2 3.39Å; V207-F211 HydrophobicContact CG1-CG 4.46Å; V207-F211 HydrophobicContact CG1-CZ 3.61Å; V207-F211 WeakPolarHBondContact O-CB 3.37Å; V207-F211 VanDerWaalsContact O-CG 3.3Å; V207-F211 WeakPolarHBondContact O-CG 2.78Å; V207-F211 PolarHBondContact O-N 3.44Å; Q208-F211 PolarHBondContact O-N 2.93Å; F211-R213 PolarHBondContact O-N 3.34Å; F211-L214 PolarHBondContact O-N 3.39Å; F211-T215 PolarHBondContact O-N 2.7Å; F211-L253 HydrophobicContact CD1-CD2 3.72Å; F211-L253 HydrophobicContact CE1-CD1 4.36Å; F211-L253 HydrophobicContact CE1-CD2 4Å
212Q89.6Confident90.2Very high54 Ų5484.2 Ų84.225%0.25240%0.401SS..Hα-helixtrans-57-37.9175.6-73.9167.52.300112.2Q208 K209 F210 L214 T215 P219 M221Q208-Q212 VanDerWaalsContact O-CG 3.25Å; Q208-Q212 WeakPolarHBondContact O-CG 2.84Å; Q208-Q212 PolarHBondContact O-N 2.85Å; K209-Q212 PolarHBondContact O-N 2.84Å; F210-Q212 PolarHBondContact O-N 3.13Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.49Å; Q212-T215 PolarHBondContact O-N 2.82Å; Q212-P219 CarbonylContact O-C 3.41Å; Q212-P219 VanDerWaalsContact O-C 3.29Å; Q212-M221 HydrophobicContact CG-CE 4.34Å; Q212-M221 HydrophobicContact CG-CG 3.9Å
213R90.2Very high90.8Very high207 Ų20780.9 Ų80.978%0.78138%0.384SS*.Hα-helixtrans-72-23177.2-68.8173.6-177.4-178.5-0.5113.6K209 F210 F211K209-R213 WeakPolarHBondContact O-CG 3.05Å; K209-R213 PolarHBondContact O-N 3.48Å; F210-R213 PolarHBondContact O-N 3.23Å; F211-R213 PolarHBondContact O-N 3.34Å
214L90.5Very high91.6Very high52 Ų5278.7 Ų78.727%0.27238%0.378SS..Hα-helixtrans-82.5-17.5177.5-69.4179.1000112.6F210 F211 Q212 P216 L251 L253 P254F210-L214 HydrophobicContact CD1-CD1 4.06Å; F210-L214 HydrophobicContact CE1-CD1 3.48Å; F210-L214 VanDerWaalsContact CE1-CD1 3.48Å; F210-L214 HydrophobicContact CE1-CG 4.4Å; F210-L214 HydrophobicContact CE2-CD1 4.35Å; F210-L214 HydrophobicContact CZ-CD1 3.66Å; F210-L214 HydrophobicContact CZ-CD2 4.49Å; F210-L214 HydrophobicContact CZ-CG 4.29Å; F210-L214 PolarHBondContact O-N 3.16Å; F211-L214 PolarHBondContact O-N 3.39Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.49Å; L214-P216 WeakPolarHBondContact O-CD 3.36Å; L214-L251 HydrophobicContact CB-CD1 3.76Å; L214-L251 WeakPolarHBondContact O-CD1 3.39Å; L214-L253 HydrophobicContact CB-CD2 4.29Å; L214-L253 HydrophobicContact CD1-CD2 3.54Å; L214-P254 HydrophobicContact CD1-CG 4.37Å
215T94Very high92.1Very high7 Ų778 Ų784%0.04338%0.375CS..  trans-72.7114.2171.6-52.80000109.2F211 Q212 P218 P219F211-T215 PolarHBondContact O-N 2.7Å; Q212-T215 PolarHBondContact O-N 2.82Å; T215-P218 WeakPolarHBondContact CG2-O 3.31Å; T215-P219 WeakPolarHBondContact O-CA 3.3Å
216P95Very high92.5Very high83 Ų8375.3 Ų75.354%0.53936%0.363SS..SBendtrans-59-50.4-177.9-28.736.8000114.2L214 G249 A250L214-P216 WeakPolarHBondContact O-CD 3.36Å; P216-G249 WeakPolarHBondContact CD-O 3.14Å; P216-A250 HydrophobicContact CB-CB 4.25Å; P216-A250 WeakPolarHBondContact CD-O 3.31Å; P216-A250 HydrophobicContact CG-CB 3.97Å; P216-A250 WeakPolarHBondContact CG-O 3.42Å
217Y95.8Very high93Very high189 Ų18966.4 Ų66.474%0.74132%0.324SS*.SBendtrans-159.9133.7175.3-173.9-95.3000113.1G249Y217-G249 PolarHBondContact N-O 3.02Å; Y217-G249 CarbonylContact O-C 3.43Å; Y217-G249 WeakPolarHBondContact O-CA 3.25Å
218P94.9Very high93.6Very high40 Ų4064 Ų6426%0.2631%0.31SS..SBendcis-69.9147-10.231.4-35.6000110.7T215 R220T215-P218 WeakPolarHBondContact CG2-O 3.31Å; P218-R220 HydrophobicContact CB-CG 4.01Å; P218-R220 HydrophobicContact CG-CG 4.05Å; P218-R220 PolarHBondContact O-N 3.31Å
219P93.5Very high94.1Very high85 Ų8567 Ų6755%0.55232%0.323SS*.SBendtrans-77.957.7-17633.9-37.7000112.4Q212 T215Q212-P219 CarbonylContact O-C 3.41Å; Q212-P219 VanDerWaalsContact O-C 3.29Å; T215-P219 WeakPolarHBondContact O-CA 3.3Å
220R94.5Very high94.6Very high93 Ų9364 Ų6435%0.35131%0.311SS..SBendtrans-150.6176179.258.5165173.683.4-0.9109.8P218 E226P218-R220 HydrophobicContact CB-CG 4.01Å; P218-R220 HydrophobicContact CG-CG 4.05Å; P218-R220 PolarHBondContact O-N 3.31Å; R220-E226 IonicContact CZ-OE1 2.69Å; R220-E226 IonicContact CZ-OE2 3.95Å; R220-E226 IonicContact NH1-OE1 3.89Å; R220-E226 PolarHBondContact NH1-OE1 3.3Å; R220-E226 IonicContact NH1-OE2 3.17Å; R220-E226 PolarHBondContact NH1-OE2 2.93Å; R220-E226 IonicContact NH2-OE1 2.72Å; R220-E226 PolarHBondContact NH2-OE1 3.07Å; R220-E226 IonicContact NH2-OE2 3.7Å
221M93.4Very high95.1Very high1 Ų158.7 Ų58.71%0.00529%0.288CS..PPolyproline II helixtrans-75.2152.9164.6-65-174-176.800110L194 N196 Q208 Q212L194-M221 HydrophobicContact CB-CG 4.07Å; L194-M221 CarbonylContact O-C 3.54Å; L194-M221 VanDerWaalsContact O-CA 3.27Å; L194-M221 WeakPolarHBondContact O-CA 3.45Å; L194-M221 WeakPolarHBondContact O-CB 3.5Å; N196-M221 WeakPolarHBondContact OD1-CB 3.41Å; N196-M221 PolarHBondContact OD1-SD 2.92Å; N196-M221 VanDerWaalsContact OD1-SD 3.37Å; Q208-M221 HydrophobicContact CB-CE 3.69Å; Q208-M221 HydrophobicContact CG-CE 3.97Å; Q212-M221 HydrophobicContact CG-CE 4.34Å; Q212-M221 HydrophobicContact CG-CG 3.9Å
222G96.3Very high95.6Very high13 Ų1357.8 Ų57.813%0.13428%0.284CS..BIsolated β-bridgetrans-70.3153.2169.500000111.5L194 F195 N196 E226L194-G222 PolarHBondContact O-N 3.41Å; F195-G222 CarbonylContact C-O 3.57Å; F195-G222 WeakPolarHBondContact CA-O 3.38Å; F195-G222 WeakPolarHBondContact CD1-O 3.48Å; N196-G222 PolarHBondContact N-O 3.48Å; G222-E226 WeakPolarHBondContact CA-OE2 3.23Å
223E96.9Very high96Very high75 Ų7557.1 Ų57.135%0.3529%0.285SS..PPolyproline II helixtrans-95.8148.7173.4-64.3-57.1149.700111.2F195 N196 S225 E226 F227F195-E223 WeakPolarHBondContact CD1-O 3.32Å; F195-E223 WeakPolarHBondContact CE1-O 3.48Å; N196-E223 PolarHBondContact ND2-OE1 3.3Å; E223-S225 PolarHBondContact O-N 2.97Å; E223-S225 VanDerWaalsContact O-N 3.1Å; E223-E226 HydrophobicContact CB-CG 4.24Å; E223-E226 PolarHBondContact N-OE2 2.99Å; E223-E226 WeakPolarHBondContact O-CB 3.33Å; E223-E226 PolarHBondContact O-N 3.49Å; E223-F227 PolarHBondContact O-N 3Å
224P97.6Very high96.4Very high26 Ų2647.2 Ų47.217%0.16925%0.248CC..Hα-helixtrans-52.9-31.2175-2936.3000114.4N196 F227 A228N196-P224 WeakPolarHBondContact O-CG 3.49Å; P224-F227 PolarHBondContact O-N 3.14Å; P224-A228 WeakPolarHBondContact O-CB 3.44Å; P224-A228 PolarHBondContact O-N 3.1Å
225S97.3Very high96.7Very high72 Ų7245 Ų4550%0.50324%0.236SC..Hα-helixtrans-68-32.6175.353.90000113.3E223 A228 H229E223-S225 PolarHBondContact O-N 2.97Å; E223-S225 VanDerWaalsContact O-N 3.1Å; S225-A228 PolarHBondContact O-N 3.01Å; S225-H229 WeakPolarHBondContact O-CB 3.5Å; S225-H229 PolarHBondContact O-N 3.09Å
226E98.2Very high96.8Very high69 Ų6947.6 Ų47.632%0.32225%0.248SC..Hα-helixtrans-72.2-36.7176.2-61.7176.712600111.1F195 R220 G222 E223 H229 M230F195-E226 HydrophobicContact CE1-CB 4.5Å; R220-E226 IonicContact CZ-OE1 2.69Å; R220-E226 IonicContact CZ-OE2 3.95Å; R220-E226 IonicContact NH1-OE1 3.89Å; R220-E226 PolarHBondContact NH1-OE1 3.3Å; R220-E226 IonicContact NH1-OE2 3.17Å; R220-E226 PolarHBondContact NH1-OE2 2.93Å; R220-E226 IonicContact NH2-OE1 2.72Å; R220-E226 PolarHBondContact NH2-OE1 3.07Å; R220-E226 IonicContact NH2-OE2 3.7Å; G222-E226 WeakPolarHBondContact CA-OE2 3.23Å; E223-E226 HydrophobicContact CB-CG 4.24Å; E223-E226 PolarHBondContact N-OE2 2.99Å; E223-E226 WeakPolarHBondContact O-CB 3.33Å; E223-E226 PolarHBondContact O-N 3.49Å; E226-H229 PolarHBondContact O-N 2.9Å; E226-M230 PolarHBondContact O-N 2.95Å; E226-M230 VanDerWaalsContact O-N 3.15Å
227F98.6Very high96.8Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-63.8-45.1169.5-179.8-88.5000111.3L18 C22 V147 I190 P192 F195 E223 P224 H229 M230 V231 I247L18-F227 HydrophobicContact CB-CD1 3.88Å; L18-F227 HydrophobicContact CB-CE1 4.11Å; L18-F227 HydrophobicContact CB-CG 4.28Å; L18-F227 HydrophobicContact CD1-CD1 4.43Å; L18-F227 HydrophobicContact CD1-CD2 3.94Å; L18-F227 HydrophobicContact CD1-CE2 4.03Å; L18-F227 HydrophobicContact CD1-CG 4.16Å; L18-F227 HydrophobicContact CD1-CZ 4.35Å; L18-F227 HydrophobicContact CD2-CB 3.78Å; L18-F227 HydrophobicContact CD2-CD1 4.27Å; L18-F227 HydrophobicContact CD2-CD2 4.3Å; L18-F227 HydrophobicContact CD2-CG 3.85Å; L18-F227 HydrophobicContact CG-CD1 4.41Å; L18-F227 HydrophobicContact CG-CG 4.31Å; C22-F227 VanDerWaalsContact SG-CD1 3.57Å; C22-F227 VanDerWaalsContact SG-CE1 3.58Å; V147-F227 HydrophobicContact CB-CZ 4.44Å; V147-F227 HydrophobicContact CG1-CE2 4.13Å; V147-F227 HydrophobicContact CG1-CZ 4.03Å; V147-F227 HydrophobicContact CG2-CE1 4.28Å; V147-F227 HydrophobicContact CG2-CE2 4.41Å; V147-F227 HydrophobicContact CG2-CZ 3.54Å; I190-F227 HydrophobicContact CB-CE2 3.95Å; I190-F227 HydrophobicContact CB-CZ 4.25Å; I190-F227 HydrophobicContact CD1-CE2 4.42Å; I190-F227 HydrophobicContact CD1-CZ 4.24Å; I190-F227 HydrophobicContact CG2-CD2 4.15Å; I190-F227 HydrophobicContact CG2-CE2 3.5Å; I190-F227 VanDerWaalsContact CG2-CE2 3.5Å; I190-F227 HydrophobicContact CG2-CZ 4.25Å; P192-F227 HydrophobicContact CB-CD2 4.31Å; P192-F227 HydrophobicContact CB-CE2 4.43Å; P192-F227 HydrophobicContact CG-CE2 4.35Å; F195-F227 HydrophobicContact CD1-CB 4.15Å; F195-F227 HydrophobicContact CE1-CB 3.71Å; F195-F227 HydrophobicContact CZ-CB 4.32Å; E223-F227 PolarHBondContact O-N 3Å; P224-F227 PolarHBondContact O-N 3.14Å; F227-H229 VanDerWaalsContact C-N 3.28Å; F227-H229 PolarHBondContact O-N 3.09Å; F227-M230 WeakPolarHBondContact O-CB 3.06Å; F227-M230 PolarHBondContact O-N 3.13Å; F227-M230 VanDerWaalsContact O-N 3.07Å; F227-V231 HydrophobicContact CD1-CG2 4.1Å; F227-V231 HydrophobicContact CE1-CG2 3.6Å; F227-V231 HydrophobicContact CZ-CG2 4.15Å; F227-V231 PolarHBondContact O-N 2.83Å; F227-I247 HydrophobicContact CD2-CG2 4.5Å
228A98.4Very high96.7Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-62.9-34177.800000112.8H25 P224 S225 V231 Q232H25-A228 HydrophobicContact CB-CB 3.53Å; P224-A228 WeakPolarHBondContact O-CB 3.44Å; P224-A228 PolarHBondContact O-N 3.1Å; S225-A228 PolarHBondContact O-N 3.01Å; A228-V231 WeakPolarHBondContact O-CB 3.33Å; A228-V231 PolarHBondContact O-N 2.64Å; A228-Q232 PolarHBondContact O-N 2.97Å
229H98.2Very high96.8Very high100 Ų10046.9 Ų46.946%0.46325%0.25SS..Hα-helixtrans-64.9-39.8171.4-178.5-107.1000112S225 E226 F227 V231 Q232 C233S225-H229 WeakPolarHBondContact O-CB 3.5Å; S225-H229 PolarHBondContact O-N 3.09Å; E226-H229 PolarHBondContact O-N 2.9Å; F227-H229 VanDerWaalsContact C-N 3.28Å; F227-H229 PolarHBondContact O-N 3.09Å; H229-V231 VanDerWaalsContact C-N 3.34Å; H229-V231 PolarHBondContact O-N 2.69Å; H229-Q232 WeakPolarHBondContact O-CB 3.4Å; H229-Q232 PolarHBondContact O-N 3.32Å; H229-C233 PolarHBondContact O-N 3.02Å; H229-C233 PolarHBondContact O-SG 3.49Å
230M98.6Very high97Very high37 Ų3744.5 Ų44.518%0.18223%0.232CC..Hα-helixtrans-61.4-43.4171.8-173.266.6-116.500111.4I190 E226 F227 Q232 C233 V234 I245 I247I190-M230 HydrophobicContact CD1-CG 3.98Å; I190-M230 HydrophobicContact CG2-CG 4.4Å; E226-M230 PolarHBondContact O-N 2.95Å; E226-M230 VanDerWaalsContact O-N 3.15Å; F227-M230 WeakPolarHBondContact O-CB 3.06Å; F227-M230 PolarHBondContact O-N 3.13Å; F227-M230 VanDerWaalsContact O-N 3.07Å; M230-Q232 VanDerWaalsContact C-N 3.29Å; M230-Q232 PolarHBondContact O-N 2.93Å; M230-C233 HydrophobicContact CE-CB 3.88Å; M230-C233 PolarHBondContact O-N 3.16Å; M230-C233 VanDerWaalsContact O-N 3.12Å; M230-V234 HydrophobicContact CE-CG2 3.44Å; M230-V234 VanDerWaalsContact CE-CG2 3.44Å; M230-V234 WeakPolarHBondContact O-CG2 3.18Å; M230-V234 PolarHBondContact O-N 3.12Å; M230-I245 HydrophobicContact CE-CD1 3.98Å; M230-I245 HydrophobicContact CE-CG2 4.39Å; M230-I245 HydrophobicContact SD-CG2 4.21Å; M230-I247 HydrophobicContact CB-CD1 4.14Å
231V98.6Very high97.2Very high1 Ų143.1 Ų43.11%0.00623%0.232CC..Hα-helixtrans-55-46.4173.51640000111.1I83 I145 I190 F227 A228 H229 V234 I235I83-V231 HydrophobicContact CD1-CG1 3.55Å; I83-V231 HydrophobicContact CG1-CG1 4.4Å; I145-V231 HydrophobicContact CD1-CG1 3.92Å; I145-V231 HydrophobicContact CG2-CG2 4.46Å; I190-V231 HydrophobicContact CD1-CG2 3.82Å; F227-V231 HydrophobicContact CD1-CG2 4.1Å; F227-V231 HydrophobicContact CE1-CG2 3.6Å; F227-V231 HydrophobicContact CZ-CG2 4.15Å; F227-V231 PolarHBondContact O-N 2.83Å; A228-V231 WeakPolarHBondContact O-CB 3.33Å; A228-V231 PolarHBondContact O-N 2.64Å; H229-V231 VanDerWaalsContact C-N 3.34Å; H229-V231 PolarHBondContact O-N 2.69Å; V231-V234 PolarHBondContact O-N 2.88Å; V231-I235 HydrophobicContact CG1-CD1 3.85Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.42Å; V231-I235 PolarHBondContact O-N 2.98Å
232Q98.1Very high97.4Very high9 Ų943.7 Ų43.74%0.04224%0.238CC..Hα-helixtrans-56.1-51.5173.3161.8175.76.800111.6M1 L4 H25 A228 H229 M230 V234 I235 E236M1-Q232 VanDerWaalsContact CE-NE2 3.31Å; M1-Q232 PolarHBondContact SD-NE2 3.34Å; L4-Q232 HydrophobicContact CD1-CG 3.94Å; H25-Q232 PolarHBondContact NE2-OE1 2.8Å; A228-Q232 PolarHBondContact O-N 2.97Å; H229-Q232 WeakPolarHBondContact O-CB 3.4Å; H229-Q232 PolarHBondContact O-N 3.32Å; M230-Q232 VanDerWaalsContact C-N 3.29Å; M230-Q232 PolarHBondContact O-N 2.93Å; Q232-V234 PolarHBondContact O-N 3.4Å; Q232-I235 WeakPolarHBondContact O-CB 3.36Å; Q232-I235 PolarHBondContact O-N 3.49Å; Q232-E236 HydrophobicContact CG-CG 4.18Å; Q232-E236 WeakPolarHBondContact CG-OE2 3.27Å; Q232-E236 PolarHBondContact NE2-OE1 3.36Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.08Å; Q232-E236 PolarHBondContact NE2-OE2 2.86Å; Q232-E236 WeakPolarHBondContact O-CG 3.45Å; Q232-E236 PolarHBondContact O-N 2.84Å
233C97.8Very high97.5Very high40 Ų4048.2 Ų48.227%0.2726%0.256SS..Hα-helixtrans-58.5-36.5-179.7-64.10000112.4H229 M230 N237H229-C233 PolarHBondContact O-N 3.02Å; H229-C233 PolarHBondContact O-SG 3.49Å; M230-C233 HydrophobicContact CE-CB 3.88Å; M230-C233 PolarHBondContact O-N 3.16Å; M230-C233 VanDerWaalsContact O-N 3.12Å; C233-N237 WeakPolarHBondContact O-CB 3.41Å; C233-N237 PolarHBondContact O-N 3.04Å; C233-N237 VanDerWaalsContact O-N 3.08Å
234V98Very high97.6Very high0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-67.5-40.5175.7175.70000111.6I143 I145 R186 V188 I190 M230 V231 Q232 I240 I245I143-V234 HydrophobicContact CD1-CG1 3.45Å; I143-V234 VanDerWaalsContact CD1-CG1 3.45Å; I145-V234 HydrophobicContact CD1-CB 4.28Å; I145-V234 HydrophobicContact CD1-CG1 4.01Å; I145-V234 HydrophobicContact CG1-CG1 4.16Å; R186-V234 PolarHBondContact NH1-O 3.15Å; R186-V234 PolarHBondContact NH2-O 3.3Å; V188-V234 HydrophobicContact CB-CG1 3.87Å; V188-V234 HydrophobicContact CG1-CG1 3.93Å; V188-V234 HydrophobicContact CG1-CG2 4.34Å; V188-V234 HydrophobicContact CG2-CG1 3.83Å; I190-V234 HydrophobicContact CD1-CG2 4.21Å; M230-V234 HydrophobicContact CE-CG2 3.44Å; M230-V234 VanDerWaalsContact CE-CG2 3.44Å; M230-V234 WeakPolarHBondContact O-CG2 3.18Å; M230-V234 PolarHBondContact O-N 3.12Å; V231-V234 PolarHBondContact O-N 2.88Å; Q232-V234 PolarHBondContact O-N 3.4Å; V234-I240 HydrophobicContact CG1-CG2 4.34Å; V234-I240 HydrophobicContact CG2-CG2 4.44Å; V234-I245 HydrophobicContact CG2-CD1 3.79Å
235I97Very high97.7Very high6 Ų646.1 Ų46.13%0.03125%0.246CC..Hα-helixtrans-63.1-46.5175.1-66.1163000110.2L4 L7 L26 V81 I143 I145 R186 V231 Q232L4-I235 HydrophobicContact CD2-CB 4.32Å; L4-I235 HydrophobicContact CD2-CD1 4.37Å; L4-I235 HydrophobicContact CD2-CG2 3.67Å; L7-I235 HydrophobicContact CD1-CG2 3.93Å; L26-I235 HydrophobicContact CD2-CD1 4.1Å; V81-I235 HydrophobicContact CG1-CD1 4.02Å; V81-I235 HydrophobicContact CG1-CG1 4.24Å; V81-I235 HydrophobicContact CG2-CD1 3.97Å; V81-I235 HydrophobicContact CG2-CG1 4.01Å; V81-I235 HydrophobicContact CG2-CG2 4.37Å; I143-I235 HydrophobicContact CG2-CG1 4.19Å; I145-I235 HydrophobicContact CD1-CG1 3.98Å; R186-I235 PolarHBondContact NH2-O 3Å; V231-I235 HydrophobicContact CG1-CD1 3.85Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.42Å; V231-I235 PolarHBondContact O-N 2.98Å; Q232-I235 WeakPolarHBondContact O-CB 3.36Å; Q232-I235 PolarHBondContact O-N 3.49Å
236E95.3Very high97.7Very high60 Ų6045.8 Ų45.828%0.2823%0.234SC..Hα-helixtrans-76.6-24.9-171.7-66.7-178.9148.400114.5I3 Q232 P238I3-E236 HydrophobicContact CG2-CG 3.78Å; Q232-E236 HydrophobicContact CG-CG 4.18Å; Q232-E236 WeakPolarHBondContact CG-OE2 3.27Å; Q232-E236 PolarHBondContact NE2-OE1 3.36Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.08Å; Q232-E236 PolarHBondContact NE2-OE2 2.86Å; Q232-E236 WeakPolarHBondContact O-CG 3.45Å; Q232-E236 PolarHBondContact O-N 2.84Å; E236-P238 VanDerWaalsContact O-CD 3.29Å; E236-P238 WeakPolarHBondContact O-CD 3.35Å
237N95.4Very high97.7Very high72 Ų7244.2 Ų44.239%0.38523%0.227SC..  trans-102.2101.8-177.3-172.9-17.5000111.7R186 C233 M239 I240R186-N237 PolarHBondContact NH1-O 3.43Å; C233-N237 WeakPolarHBondContact O-CB 3.41Å; C233-N237 PolarHBondContact O-N 3.04Å; C233-N237 VanDerWaalsContact O-N 3.08Å; N237-M239 PolarHBondContact O-N 2.83Å; N237-M239 VanDerWaalsContact O-N 3.17Å; N237-M239 WeakPolarHBondContact OD1-CB 3.42Å; N237-M239 PolarHBondContact OD1-N 3.46Å; N237-M239 VanDerWaalsContact OD1-N 3.09Å; N237-I240 HydrophobicContact CB-CD1 3.83Å; N237-I240 HydrophobicContact CB-CG1 3.96Å; N237-I240 PolarHBondContact O-N 2.95Å; N237-I240 VanDerWaalsContact O-N 3.13Å
238P94.2Very high97.6Very high61 Ų6145.3 Ų45.340%0.39623%0.233SC..THydrogen-bonded Turntrans-67.6-17-17628.2-36000113.6R186 E236 I240R186-P238 VanDerWaalsContact CD-O 3.28Å; R186-P238 WeakPolarHBondContact CD-O 3.2Å; E236-P238 VanDerWaalsContact O-CD 3.29Å; E236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-I240 VanDerWaalsContact C-N 3.26Å; P238-I240 PolarHBondContact O-N 3.37Å
239M96.1Very high97.5Very high164 Ų16446.5 Ų46.581%0.80825%0.245SC*.THydrogen-bonded Turntrans-77.2-11.1176.8-72.7-60.6-56.900113.3N237 N241N237-M239 PolarHBondContact O-N 2.83Å; N237-M239 VanDerWaalsContact O-N 3.17Å; N237-M239 WeakPolarHBondContact OD1-CB 3.42Å; N237-M239 PolarHBondContact OD1-N 3.46Å; N237-M239 VanDerWaalsContact OD1-N 3.09Å; M239-N241 PolarHBondContact O-N 3.06Å
240I97.9Very high97.4Very high35 Ų3544.5 Ų44.518%0.17925%0.246CC..  trans-84.7105.9175-58.7-178.6000108.8R186 V188 V234 N237 P238 I245R186-I240 PolarHBondContact NH1-O 3.46Å; V188-I240 HydrophobicContact CG1-CG2 4.14Å; V188-I240 HydrophobicContact CG2-CG2 3.89Å; V234-I240 HydrophobicContact CG1-CG2 4.34Å; V234-I240 HydrophobicContact CG2-CG2 4.44Å; N237-I240 HydrophobicContact CB-CD1 3.83Å; N237-I240 HydrophobicContact CB-CG1 3.96Å; N237-I240 PolarHBondContact O-N 2.95Å; N237-I240 VanDerWaalsContact O-N 3.13Å; P238-I240 VanDerWaalsContact C-N 3.26Å; P238-I240 PolarHBondContact O-N 3.37Å; I240-I245 HydrophobicContact CG2-CD1 3.67Å
241N98.6Very high97.2Very high64 Ų6442.9 Ų42.934%0.34224%0.238SC..  trans-152143.4177.7-16928.3000111.3A177 R186 A187 M239 E243A177-N241 WeakPolarHBondContact CB-OD1 3.34Å; R186-N241 VanDerWaalsContact CA-OD1 3.32Å; R186-N241 WeakPolarHBondContact CA-OD1 3.49Å; R186-N241 HydrophobicContact CB-CB 4.44Å; R186-N241 WeakPolarHBondContact CB-OD1 3.49Å; R186-N241 HydrophobicContact CG-CB 4.15Å; A187-N241 PolarHBondContact N-OD1 3.41Å; A187-N241 PolarHBondContact O-OD1 3.1Å; M239-N241 PolarHBondContact O-N 3.06Å; N241-E243 PolarHBondContact O-N 2.88Å
242G98.6Very high96.9Very high13 Ų1348.8 Ų48.813%0.13426%0.261CS..SBendtrans69.411.7176.500000115.3A177 A187A177-G242 VanDerWaalsContact CB-CA 3.46Å; A187-G242 WeakPolarHBondContact O-CA 3.33Å; A187-G242 PolarHBondContact O-N 3.35Å
243E98.6Very high96.2Very high108 Ų10849.6 Ų49.651%0.50527%0.265SS..  trans-103.3151.2-172.2-175.651.8-139.700112.6T173 V188 T189 N241 I245T173-E243 WeakPolarHBondContact CG2-O 3.44Å; V188-E243 WeakPolarHBondContact CG1-O 3.4Å; T189-E243 PolarHBondContact N-O 3.24Å; N241-E243 PolarHBondContact O-N 2.88Å; E243-I245 HydrophobicContact CB-CG1 4.36Å; E243-I245 HydrophobicContact CG-CG1 3.81Å
244V98.8Very high95.5Very high25 Ų2550.9 Ų50.915%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-10994.4171.4-173.20000109.5F153 N170 T173 T189 A191 R246F153-V244 HydrophobicContact CE2-CG1 4.05Å; F153-V244 HydrophobicContact CZ-CB 4.24Å; F153-V244 HydrophobicContact CZ-CG1 3.62Å; N170-V244 HydrophobicContact CB-CG1 4.37Å; N170-V244 HydrophobicContact CB-CG2 4.06Å; N170-V244 WeakPolarHBondContact OD1-CG1 3.31Å; T173-V244 HydrophobicContact CG2-CG2 4.32Å; T189-V244 HydrophobicContact CG2-CG1 4.03Å; T189-V244 CarbonylContact O-C 3.43Å; T189-V244 VanDerWaalsContact O-CA 3.31Å; T189-V244 WeakPolarHBondContact O-CA 3.37Å; A191-V244 HydrophobicContact CB-CG1 4.05Å; V244-R246 PolarHBondContact O-N 2.76Å
245I98.7Very high94.4Very high32 Ų3257.7 Ų57.716%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-83.9119.1-171.7-55.5173.8000110.3V188 T189 I190 A191 M230 V234 I240 E243V188-I245 HydrophobicContact CG1-CD1 3.86Å; V188-I245 HydrophobicContact CG1-CG1 4.24Å; T189-I245 PolarHBondContact O-N 3.34Å; I190-I245 CarbonylContact C-O 3.51Å; I190-I245 WeakPolarHBondContact CA-O 3.49Å; A191-I245 PolarHBondContact N-O 2.86Å; M230-I245 HydrophobicContact CE-CD1 3.98Å; M230-I245 HydrophobicContact CE-CG2 4.39Å; M230-I245 HydrophobicContact SD-CG2 4.21Å; V234-I245 HydrophobicContact CG2-CD1 3.79Å; I240-I245 HydrophobicContact CG2-CD1 3.67Å; E243-I245 HydrophobicContact CB-CG1 4.36Å; E243-I245 HydrophobicContact CG-CG1 3.81Å
246R98Very high94.3Very high65 Ų6560.3 Ų60.325%0.24533%0.331CS..EExtended strand (participates in β ladder)trans-79.4134.3171.3-64.4-179.567.6126.87.6111.1F153 D154 A191 V244 D248F153-R246 HydrophobicContact CD2-CG 4.34Å; F153-R246 HydrophobicContact CE2-CG 3.92Å; F153-R246 HydrophobicContact CZ-CG 4.48Å; D154-R246 IonicContact OD2-CZ 3.42Å; D154-R246 IonicContact OD2-NH1 3.64Å; D154-R246 PolarHBondContact OD2-NH1 3.46Å; D154-R246 IonicContact OD2-NH2 3.95Å; D154-R246 PolarHBondContact OD2-NH2 3.1Å; A191-R246 HydrophobicContact CB-CG 4.38Å; A191-R246 WeakPolarHBondContact O-CA 3.46Å; V244-R246 PolarHBondContact O-N 2.76Å; R246-D248 IonicContact CZ-OD2 3.9Å; R246-D248 IonicContact NE-OD2 3.11Å; R246-D248 PolarHBondContact NE-OD2 2.85Å; R246-D248 IonicContact NH2-OD2 2.73Å; R246-D248 PolarHBondContact NH2-OD2 3.2Å
247I97.8Very high94.2Very high36 Ų3660.3 Ų60.319%0.18533%0.334CS..EExtended strand (participates in β ladder)trans-133.290.4170.5172.9-178.9000107.4I190 A191 P192 G193 F195 F227 M230I190-I247 HydrophobicContact CG2-CG2 3.4Å; A191-I247 PolarHBondContact O-N 3.15Å; A191-I247 VanDerWaalsContact O-N 3.14Å; P192-I247 WeakPolarHBondContact CA-O 3.37Å; P192-I247 HydrophobicContact CB-CG2 4.37Å; G193-I247 PolarHBondContact N-O 2.84Å; F195-I247 HydrophobicContact CE1-CD1 4.33Å; F195-I247 HydrophobicContact CE2-CG1 4.34Å; F195-I247 WeakPolarHBondContact CE2-O 3.21Å; F195-I247 HydrophobicContact CZ-CD1 3.6Å; F195-I247 HydrophobicContact CZ-CG1 3.78Å; F195-I247 HydrophobicContact CZ-CG2 4.47Å; F227-I247 HydrophobicContact CD2-CG2 4.5Å; M230-I247 HydrophobicContact CB-CD1 4.14Å
248D96.7Very high94.2Very high23 Ų2359.7 Ų59.712%0.12333%0.331CS..SBendtrans-144.64.7-164.466.54.7000115.2T150 R246 A250 L251 R252T150-D248 HydrophobicContact CG2-CB 3.55Å; R246-D248 IonicContact CZ-OD2 3.9Å; R246-D248 IonicContact NE-OD2 3.11Å; R246-D248 PolarHBondContact NE-OD2 2.85Å; R246-D248 IonicContact NH2-OD2 2.73Å; R246-D248 PolarHBondContact NH2-OD2 3.2Å; D248-A250 PolarHBondContact O-N 2.77Å; D248-A250 WeakPolarHBondContact OD1-CA 3.45Å; D248-A250 PolarHBondContact OD1-N 2.73Å; D248-L251 HydrophobicContact CB-CB 4.43Å; D248-L251 WeakPolarHBondContact O-CB 3.38Å; D248-L251 PolarHBondContact O-N 2.66Å; D248-R252 IonicContact OD1-NH1 3.61Å; D248-R252 IonicContact OD2-CZ 3.14Å; D248-R252 IonicContact OD2-NH1 2.66Å; D248-R252 PolarHBondContact OD2-NH1 2.88Å
249G96.4Very high94.2Very high25 Ų2559.6 Ų59.626%0.25833%0.327SS..THydrogen-bonded Turntrans6028-178.400000114P216 Y217 L251P216-G249 WeakPolarHBondContact CD-O 3.14Å; Y217-G249 PolarHBondContact N-O 3.02Å; Y217-G249 CarbonylContact O-C 3.43Å; Y217-G249 WeakPolarHBondContact O-CA 3.25Å; G249-L251 VanDerWaalsContact C-N 3.28Å; G249-L251 PolarHBondContact O-N 3.11Å
250A96Very high94Very high58 Ų5853.1 Ų53.148%0.47930%0.297SS..THydrogen-bonded Turntrans66.919.3-173.300000115.1P216 D248 R252P216-A250 HydrophobicContact CB-CB 4.25Å; P216-A250 WeakPolarHBondContact CD-O 3.31Å; P216-A250 HydrophobicContact CG-CB 3.97Å; P216-A250 WeakPolarHBondContact CG-O 3.42Å; D248-A250 PolarHBondContact O-N 2.77Å; D248-A250 WeakPolarHBondContact OD1-CA 3.45Å; D248-A250 PolarHBondContact OD1-N 2.73Å; A250-R252 PolarHBondContact O-N 3.14Å
251L94.1Very high93.8Very high4 Ų454.3 Ų54.32%0.02131%0.305CS..  trans-60.1125177.8-179.367.3000111.7L194 L214 D248 G249 L253L194-L251 HydrophobicContact CB-CD2 4.48Å; L194-L251 HydrophobicContact CD1-CD2 3.66Å; L194-L251 HydrophobicContact CG-CD2 3.73Å; L214-L251 HydrophobicContact CB-CD1 3.76Å; L214-L251 WeakPolarHBondContact O-CD1 3.39Å; D248-L251 HydrophobicContact CB-CB 4.43Å; D248-L251 WeakPolarHBondContact O-CB 3.38Å; D248-L251 PolarHBondContact O-N 2.66Å; G249-L251 VanDerWaalsContact C-N 3.28Å; G249-L251 PolarHBondContact O-N 3.11Å; L251-L253 HydrophobicContact CD1-CD2 3.78Å; L251-L253 HydrophobicContact CD1-CG 4.11Å; L251-L253 HydrophobicContact CD2-CD2 4.34Å; L251-L253 HydrophobicContact CD2-CG 4.14Å; L251-L253 HydrophobicContact CG-CD2 4.3Å; L251-L253 HydrophobicContact CG-CG 4.1Å
252R93.1Very high93.5Very high125 Ų12553.6 Ų53.647%0.47230%0.303SS..  trans-131.898.9167.6-62.2-63.9179.2-80.62.3107.3D154 D248 A250D154-R252 WeakPolarHBondContact OD1-CD 3.5Å; D154-R252 IonicContact OD1-NE 2.79Å; D154-R252 WeakPolarHBondContact OD2-CD 3.32Å; D154-R252 IonicContact OD2-NE 3.6Å; D248-R252 IonicContact OD1-NH1 3.61Å; D248-R252 IonicContact OD2-CZ 3.14Å; D248-R252 IonicContact OD2-NH1 2.66Å; D248-R252 PolarHBondContact OD2-NH1 2.88Å; A250-R252 PolarHBondContact O-N 3.14Å
253L84.4Confident93.1Very high26 Ų2656.7 Ų56.714%0.13632%0.316CS..  trans-69.9125.9-175.9-71.4173000109.3Q156 F211 L214 L251Q156-L253 HydrophobicContact CG-CB 4.02Å; Q156-L253 HydrophobicContact CG-CD1 3.65Å; Q156-L253 HydrophobicContact CG-CG 4.49Å; Q156-L253 PolarHBondContact NE2-O 3.45Å; F211-L253 HydrophobicContact CD1-CD2 3.72Å; F211-L253 HydrophobicContact CE1-CD1 4.36Å; F211-L253 HydrophobicContact CE1-CD2 4Å; L214-L253 HydrophobicContact CB-CD2 4.29Å; L214-L253 HydrophobicContact CD1-CD2 3.54Å; L251-L253 HydrophobicContact CD1-CD2 3.78Å; L251-L253 HydrophobicContact CD1-CG 4.11Å; L251-L253 HydrophobicContact CD2-CD2 4.34Å; L251-L253 HydrophobicContact CD2-CG 4.14Å; L251-L253 HydrophobicContact CG-CD2 4.3Å; L251-L253 HydrophobicContact CG-CG 4.1Å
254P81.6Confident92.6Very high67 Ų6752.4 Ų52.444%0.43530%0.3SS..  trans-64.8155.9175.230.1-34.3000110.4Q156 L214Q156-P254 PolarHBondContact OE1-O 2.94Å; L214-P254 HydrophobicContact CD1-CG 4.37Å
255P75.7Confident92Very high143 Ų14354.9 Ų54.993%0.92931%0.313SS*.  trans-620-176.227-35.9000114.6Q157Q157-P255 WeakPolarHBondContact CG-OXT 3.41Å; Q157-P255 PolarHBondContact NE2-OXT 3.22Å

Retrieved 255 of 255 residues in 357 ms (Link to these results)

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