A0A077ZK80_TRITR Loading...

Aldo ket red domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 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
1M45.2Very low86.3Confident237 Ų23772 Ų72100%1.16741%0.413SS*.  0124.80-66.9179.2-169.500106.8
2S59.5Low87.2Confident59 Ų5971.1 Ų71.141%0.41341%0.414SS..  trans-64.1149.5170.445.10000109.2R15S2-R15 PolarHBondContact OG-NH1 2.98Å
3S76.1Confident88.1Confident70 Ų7065.6 Ų65.649%0.4938%0.382SS..  trans-60.3140.7170.9178.90000109.3T5 R15S3-T5 WeakPolarHBondContact CB-O 3.19Å; S3-T5 PolarHBondContact O-N 3.32Å; S3-T5 PolarHBondContact OG-N 3.43Å; S3-T5 VanDerWaalsContact OG-N 3.11Å; S3-T5 PolarHBondContact OG-O 3.17Å; S3-T5 PolarHBondContact OG-OG1 2.59Å; S3-R15 WeakPolarHBondContact O-CD 3.4Å
4N91.7Very high88.8Confident85 Ų8564.3 Ų64.346%0.45537%0.373SS..SBendtrans-75.9-3.5171.4-70.711.5000112.3N14 R15 E268N4-N14 WeakPolarHBondContact O-CA 3.4Å; N4-R15 WeakPolarHBondContact O-CB 3.29Å; N4-R15 WeakPolarHBondContact O-CG 3.46Å; N4-R15 PolarHBondContact O-N 2.98Å; N4-E268 WeakPolarHBondContact CB-OE1 3.25Å; N4-E268 VanDerWaalsContact CG-OE1 3.24Å; N4-E268 PolarHBondContact ND2-OE1 3.3Å
5T97.3Very high89.4Confident47 Ų4760.5 Ų60.529%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-119.8154.9177.257.60000111.3S3 S12 V13 N14S3-T5 WeakPolarHBondContact CB-O 3.19Å; S3-T5 PolarHBondContact O-N 3.32Å; S3-T5 PolarHBondContact OG-N 3.43Å; S3-T5 VanDerWaalsContact OG-N 3.11Å; S3-T5 PolarHBondContact OG-O 3.17Å; S3-T5 PolarHBondContact OG-OG1 2.59Å; T5-S12 WeakPolarHBondContact CB-OG 3.26Å; T5-S12 PolarHBondContact OG1-OG 3.47Å; T5-V13 CarbonylContact C-O 3.5Å; T5-V13 WeakPolarHBondContact CA-O 3.41Å; T5-V13 WeakPolarHBondContact CB-O 3.23Å; T5-N14 VanDerWaalsContact CG2-OD1 3.27Å; T5-N14 WeakPolarHBondContact CG2-OD1 3.23Å
6F98Very high89.9Confident34 Ų3456.8 Ų56.815%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-141.5153.3169.9-168.3-92.9000109.5V13 R15 A205 P247 N248 L250F6-V13 PolarHBondContact N-O 3.41Å; F6-V13 WeakPolarHBondContact O-CG2 3.32Å; F6-V13 PolarHBondContact O-N 2.61Å; F6-R15 HydrophobicContact CB-CG 4.13Å; F6-A205 HydrophobicContact CD1-CB 3.82Å; F6-A205 HydrophobicContact CE1-CB 3.75Å; F6-P247 VanDerWaalsContact CD2-O 3.28Å; F6-P247 WeakPolarHBondContact CD2-O 3.25Å; F6-N248 HydrophobicContact CD2-CB 4.22Å; F6-N248 HydrophobicContact CE1-CB 4.07Å; F6-N248 VanDerWaalsContact CE2-CA 3.49Å; F6-N248 HydrophobicContact CE2-CB 3.55Å; F6-N248 HydrophobicContact CZ-CB 3.46Å; F6-N248 VanDerWaalsContact CZ-CB 3.46Å; F6-L250 HydrophobicContact CB-CD2 3.85Å
7T97.6Very high90.4Very high78 Ų7853.6 Ų53.648%0.47931%0.31SS..EExtended strand (participates in β ladder)trans-77.3128.8-179.3-57.50000110.6G9 K11T7-G9 WeakPolarHBondContact CG2-O 3.17Å; T7-K11 WeakPolarHBondContact CA-O 3.35Å
8L98.1Very high90.8Very high2 Ų250.7 Ų50.71%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-122.6102.1171.4-177.859.9000109T10 K11 V13 T80 V82 V122 V179 C180 A205 L250L8-T10 PolarHBondContact O-N 3.06Å; L8-K11 PolarHBondContact N-O 3.16Å; L8-K11 PolarHBondContact O-N 2.67Å; L8-V13 HydrophobicContact CB-CG1 4.24Å; L8-V13 HydrophobicContact CB-CG2 3.78Å; L8-V13 HydrophobicContact CD2-CG2 4.38Å; L8-T80 HydrophobicContact CD2-CG2 3.96Å; L8-T80 HydrophobicContact CG-CG2 4.45Å; L8-V82 HydrophobicContact CD2-CG2 3.68Å; L8-V122 HydrophobicContact CD1-CG2 4.47Å; L8-V122 HydrophobicContact CD2-CG2 4.37Å; L8-V122 HydrophobicContact CG-CG2 4.11Å; L8-V179 HydrophobicContact CD1-CG2 3.96Å; L8-C180 HydrophobicContact CD1-CB 3.7Å; L8-A205 HydrophobicContact CD1-CB 4.32Å; L8-L250 HydrophobicContact CB-CD1 4.18Å; L8-L250 HydrophobicContact CD1-CD1 4.38Å; L8-L250 HydrophobicContact CD2-CD1 4.12Å; L8-L250 HydrophobicContact CG-CD1 4.47Å
9G95.6Very high91.2Very high16 Ų1648.3 Ų48.317%0.16528%0.281CS..THydrogen-bonded Turntrans64.4-115-167.300000110.9T7T7-G9 WeakPolarHBondContact CG2-O 3.17Å
10T94.2Very high91.6Very high117 Ų11745.9 Ų45.972%0.71827%0.267SS*.THydrogen-bonded Turntrans-103-0.5-179.8510000113.8L8 H158L8-T10 PolarHBondContact O-N 3.06Å; T10-H158 PolarHBondContact N-NE2 3Å; T10-H158 PolarHBondContact OG1-NE2 2.98Å
11K96.2Very high91.8Very high47 Ų4745.1 Ų45.120%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-108144.9-177.3-71179.2171.7179.90110.7T7 L8 D77 L79 T80 D121T7-K11 WeakPolarHBondContact CA-O 3.35Å; L8-K11 PolarHBondContact N-O 3.16Å; L8-K11 PolarHBondContact O-N 2.67Å; K11-D77 WeakPolarHBondContact CE-O 3.27Å; K11-D77 PolarHBondContact NZ-O 3.34Å; K11-L79 PolarHBondContact NZ-O 2.98Å; K11-T80 WeakPolarHBondContact CD-OG1 3.46Å; K11-D121 IonicContact NZ-OD1 3.64Å; K11-D121 IonicContact NZ-OD2 3.38Å
12S97Very high94.2Very high61 Ų6137.5 Ų37.543%0.42722%0.223SC..EExtended strand (participates in β ladder)trans-86.7120.9167.9-172.30000108.4T5 N51T5-S12 WeakPolarHBondContact CB-OG 3.26Å; T5-S12 PolarHBondContact OG1-OG 3.47Å; S12-N51 PolarHBondContact O-ND2 2.89Å
13V98.4Very high96.1Very high0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans-116.2146.3-179.7-61.20000110.8T5 F6 L8 N51 H52 T80 L250T5-V13 CarbonylContact C-O 3.5Å; T5-V13 WeakPolarHBondContact CA-O 3.41Å; T5-V13 WeakPolarHBondContact CB-O 3.23Å; F6-V13 PolarHBondContact N-O 3.41Å; F6-V13 WeakPolarHBondContact O-CG2 3.32Å; F6-V13 PolarHBondContact O-N 2.61Å; L8-V13 HydrophobicContact CB-CG1 4.24Å; L8-V13 HydrophobicContact CB-CG2 3.78Å; L8-V13 HydrophobicContact CD2-CG2 4.38Å; V13-N51 WeakPolarHBondContact CA-OD1 3.49Å; V13-H52 HydrophobicContact CB-CB 3.92Å; V13-H52 HydrophobicContact CG1-CB 4.11Å; V13-H52 HydrophobicContact CG2-CB 4.28Å; V13-T80 WeakPolarHBondContact CG1-OG1 3.39Å; V13-L250 HydrophobicContact CG2-CD1 3.72Å; V13-L250 HydrophobicContact CG2-CD2 3.77Å; V13-L250 HydrophobicContact CG2-CG 4.43Å
14N98Very high97.1Very high47 Ų4732 Ų3225%0.25118%0.184SC..EExtended strand (participates in β ladder)trans-62.6139.1170.4-70.9-38.8000109.7N4 T5 L16 G49 N51N4-N14 WeakPolarHBondContact O-CA 3.4Å; T5-N14 VanDerWaalsContact CG2-OD1 3.27Å; T5-N14 WeakPolarHBondContact CG2-OD1 3.23Å; N14-L16 PolarHBondContact O-N 3.35Å; N14-G49 PolarHBondContact ND2-O 3.49Å; N14-N51 PolarHBondContact N-OD1 3.01Å
15R97.9Very high97.3Very high7 Ų728.2 Ų28.23%0.02617%0.166CC..SBendtrans-69.8-12.2-175.8-68.3177.565.1-146.5-5.5113.4S2 S3 N4 F6 L243 S246 P247 I249 L250 L251S2-R15 PolarHBondContact OG-NH1 2.98Å; S3-R15 WeakPolarHBondContact O-CD 3.4Å; N4-R15 WeakPolarHBondContact O-CB 3.29Å; N4-R15 WeakPolarHBondContact O-CG 3.46Å; N4-R15 PolarHBondContact O-N 2.98Å; F6-R15 HydrophobicContact CB-CG 4.13Å; R15-L243 HydrophobicContact CB-CD2 3.84Å; R15-L243 VanDerWaalsContact CZ-O 3.26Å; R15-L243 PolarHBondContact NH1-O 2.99Å; R15-L243 PolarHBondContact NH2-O 3.43Å; R15-S246 PolarHBondContact NH2-O 3.02Å; R15-P247 PolarHBondContact NE-O 3.04Å; R15-P247 VanDerWaalsContact NE-O 3.13Å; R15-I249 PolarHBondContact NE-O 3.13Å; R15-I249 VanDerWaalsContact NE-O 3.09Å; R15-I249 PolarHBondContact NH2-O 2.97Å; R15-L250 HydrophobicContact CB-CD2 4.28Å; R15-L250 HydrophobicContact CG-CD2 4Å; R15-L250 CarbonylContact O-C 3.56Å; R15-L251 PolarHBondContact O-N 3.03Å
16L97.6Very high97.1Very high2 Ų232 Ų321%0.0119%0.191CC..BIsolated β-bridgetrans-110.193.4170.9-162.657.3000109.2N14 L251 P253 N264 M265 E268N14-L16 PolarHBondContact O-N 3.35Å; L16-L251 HydrophobicContact CD1-CB 3.69Å; L16-L251 HydrophobicContact CD1-CD1 4.13Å; L16-L251 HydrophobicContact CD1-CG 4.49Å; L16-P253 HydrophobicContact CD1-CG 3.84Å; L16-N264 WeakPolarHBondContact CD2-O 3.34Å; L16-M265 HydrophobicContact CB-CE 4.18Å; L16-M265 HydrophobicContact CD2-CE 3.88Å; L16-M265 HydrophobicContact CD2-SD 3.81Å; L16-M265 HydrophobicContact CG-CE 3.97Å; L16-M265 HydrophobicContact CG-SD 3.83Å; L16-E268 HydrophobicContact CD2-CB 4.18Å
17G98.2Very high96.9Very high2 Ų233 Ų332%0.02121%0.212CC..  trans-91.5-161.817400000112.7H52 L251G17-H52 CarbonylContact C-O 3.49Å; G17-H52 WeakPolarHBondContact CA-O 3.44Å; G17-L251 CarbonylContact C-O 3.49Å; G17-L251 VanDerWaalsContact CA-O 3.29Å; G17-L251 WeakPolarHBondContact CA-O 3.49Å; G17-L251 PolarHBondContact N-O 2.98Å
18Y98.6Very high96.8Very high1 Ų129.8 Ų29.80%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-133.8124.7-179.4178.8-98.3000112.3A20 L23 V41 L42 A45 H52 I53 D54 T255 L261Y18-A20 HydrophobicContact CD1-CB 4.35Å; Y18-A20 HydrophobicContact CE1-CB 3.97Å; Y18-L23 HydrophobicContact CE1-CD1 3.88Å; Y18-L23 HydrophobicContact CE1-CG 4.32Å; Y18-L23 WeakPolarHBondContact OH-CD1 3.39Å; Y18-L23 WeakPolarHBondContact OH-CD2 3.32Å; Y18-L23 WeakPolarHBondContact OH-CG 3.47Å; Y18-V41 HydrophobicContact CE2-CG1 3.81Å; Y18-V41 WeakPolarHBondContact OH-CG1 2.99Å; Y18-L42 HydrophobicContact CD1-CD2 3.87Å; Y18-L42 HydrophobicContact CE1-CD2 3.59Å; Y18-A45 HydrophobicContact CD2-CB 4.41Å; Y18-A45 HydrophobicContact CG-CB 4.4Å; Y18-H52 PolarHBondContact N-O 2.83Å; Y18-I53 WeakPolarHBondContact O-CA 3.49Å; Y18-D54 PolarHBondContact O-N 3.27Å; Y18-T255 HydrophobicContact CE2-CG2 4.46Å; Y18-T255 PolarHBondContact OH-O 2.86Å; Y18-L261 HydrophobicContact CD2-CD1 4.02Å; Y18-L261 HydrophobicContact CE2-CD1 4.33Å
19G98.3Very high96.7Very high6 Ų633 Ų336%0.06221%0.206CC..EExtended strand (participates in β ladder)trans-91.4117.3173.800000111.5M21 I252 G254G19-M21 VanDerWaalsContact C-N 3.3Å; G19-M21 PolarHBondContact O-N 3.22Å; G19-I252 VanDerWaalsContact CA-O 3.32Å; G19-I252 WeakPolarHBondContact CA-O 3.41Å; G19-I252 PolarHBondContact N-O 2.98Å; G19-G254 WeakPolarHBondContact O-CA 3.21Å
20A98.3Very high96.8Very high0 Ų033 Ų330%021%0.207CC..G310 helixtrans-84.72.8-170.600000114.6Y18 Q22 L23 I53 D54 T64 I68Y18-A20 HydrophobicContact CD1-CB 4.35Å; Y18-A20 HydrophobicContact CE1-CB 3.97Å; A20-Q22 VanDerWaalsContact C-N 3.25Å; A20-Q22 PolarHBondContact O-N 3.46Å; A20-L23 HydrophobicContact CB-CD1 4.34Å; A20-L23 WeakPolarHBondContact O-CB 3.39Å; A20-L23 PolarHBondContact O-N 2.79Å; A20-I53 HydrophobicContact CB-CG2 4.4Å; A20-D54 WeakPolarHBondContact CB-O 3.29Å; A20-D54 PolarHBondContact N-O 3.4Å; A20-T64 HydrophobicContact CB-CG2 3.32Å; A20-T64 VanDerWaalsContact O-CG2 3.24Å; A20-T64 WeakPolarHBondContact O-CG2 3.49Å; A20-I68 HydrophobicContact CB-CD1 3.9Å
21M96.9Very high96.9Very high30 Ų3031.9 Ų31.915%0.14820%0.201CC..G310 helixtrans-55.1-38.8-178.4-171.4-177.67300113.1G19 L23 A24 V28 Y59 F210 F215G19-M21 VanDerWaalsContact C-N 3.3Å; G19-M21 PolarHBondContact O-N 3.22Å; M21-L23 PolarHBondContact O-N 2.94Å; M21-A24 PolarHBondContact O-N 2.87Å; M21-V28 HydrophobicContact CG-CB 4.47Å; M21-V28 HydrophobicContact CG-CG1 3.55Å; M21-V28 HydrophobicContact CG-CG2 3.96Å; M21-V28 HydrophobicContact SD-CG1 4.46Å; M21-V28 HydrophobicContact SD-CG2 4.14Å; M21-Y59 HydrophobicContact CB-CD1 4.45Å; M21-Y59 HydrophobicContact CB-CD2 4.25Å; M21-Y59 HydrophobicContact CB-CE1 4.07Å; M21-Y59 HydrophobicContact CB-CE2 3.84Å; M21-Y59 HydrophobicContact CG-CD1 3.97Å; M21-Y59 HydrophobicContact CG-CE1 3.67Å; M21-Y59 HydrophobicContact CG-CE2 4.36Å; M21-Y59 HydrophobicContact CG-CG 4.45Å; M21-Y59 HydrophobicContact SD-CE1 4.3Å; M21-F210 HydrophobicContact CE-CE1 3.91Å; M21-F210 HydrophobicContact SD-CE1 4.19Å; M21-F215 HydrophobicContact CE-CZ 4.46Å
22Q95.6Very high97Very high77 Ų7730.8 Ų30.836%0.3620%0.198SC..G310 helixtrans-74-3.1-178.1-60.6-60.6-22.600113.7A20 A24A20-Q22 VanDerWaalsContact C-N 3.25Å; A20-Q22 PolarHBondContact O-N 3.46Å; Q22-A24 VanDerWaalsContact C-N 3.34Å
23L98Very high96.9Very high1 Ų140.1 Ų40.11%0.00523%0.225CC..G310 helixtrans-87.5-3.8173.8-57.9-174.3000113.2Y18 A20 M21 P32 A38 L42 T64Y18-L23 HydrophobicContact CE1-CD1 3.88Å; Y18-L23 HydrophobicContact CE1-CG 4.32Å; Y18-L23 WeakPolarHBondContact OH-CD1 3.39Å; Y18-L23 WeakPolarHBondContact OH-CD2 3.32Å; Y18-L23 WeakPolarHBondContact OH-CG 3.47Å; A20-L23 HydrophobicContact CB-CD1 4.34Å; A20-L23 WeakPolarHBondContact O-CB 3.39Å; A20-L23 PolarHBondContact O-N 2.79Å; M21-L23 PolarHBondContact O-N 2.94Å; L23-P32 VanDerWaalsContact O-CB 3.32Å; L23-P32 WeakPolarHBondContact O-CB 3.47Å; L23-P32 VanDerWaalsContact O-CD 3.26Å; L23-P32 WeakPolarHBondContact O-CD 3.24Å; L23-P32 VanDerWaalsContact O-CG 3.23Å; L23-P32 WeakPolarHBondContact O-CG 3.49Å; L23-A38 HydrophobicContact CB-CB 4.37Å; L23-A38 HydrophobicContact CD1-CB 4.49Å; L23-A38 HydrophobicContact CD2-CB 3.81Å; L23-A38 HydrophobicContact CG-CB 4.45Å; L23-L42 HydrophobicContact CD1-CD1 3.74Å; L23-L42 HydrophobicContact CD1-CD2 3.79Å; L23-L42 HydrophobicContact CD1-CG 3.63Å; L23-T64 HydrophobicContact CB-CG2 4.3Å
24A97.4Very high96.8Very high11 Ų1144 Ų449%0.09125%0.245CC..SBendtrans-81.9171.7168.500000111.5M21 Q22 V28M21-A24 PolarHBondContact O-N 2.87Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; A24-V28 HydrophobicContact CB-CG1 4.03Å
25G96Very high96.8Very high7 Ų746.8 Ų46.87%0.07225%0.252CS..  trans-71.217917200000113.9V28 F29 G30 P31G25-V28 VanDerWaalsContact O-CA 3.29Å; G25-V28 WeakPolarHBondContact O-CA 3.48Å; G25-V28 PolarHBondContact O-N 3.42Å; G25-F29 CarbonylContact C-O 3.52Å; G25-F29 VanDerWaalsContact CA-O 3.27Å; G25-F29 WeakPolarHBondContact CA-O 3.35Å; G25-F29 PolarHBondContact O-N 3.36Å; G25-G30 PolarHBondContact N-O 3.21Å; G25-P31 VanDerWaalsContact CA-O 3.25Å; G25-P31 WeakPolarHBondContact CA-O 3.33Å
26P93.3Very high96.8Very high125 Ų12552.3 Ų52.381%0.81228%0.278SS*.G310 helixtrans-50.8139.7176.3-25.734.8000112.6V28 F29P26-V28 PolarHBondContact O-N 2.92Å; P26-F29 PolarHBondContact O-N 3.27Å
27G92.9Very high96.8Very high57 Ų5755.1 Ų55.159%0.58830%0.295SS*.G310 helixtrans68.318.8-173.500000113.8F29 R89G27-F29 PolarHBondContact O-N 2.9Å; G27-R89 PolarHBondContact O-NH2 2.96Å
28V95.7Very high96.8Very high10 Ų1055.1 Ų55.16%0.06130%0.295CS..G310 helixtrans5832.7-175.5-162.70000110.9M21 A24 G25 P26 Y59 G60 R89 W95 F215M21-V28 HydrophobicContact CG-CB 4.47Å; M21-V28 HydrophobicContact CG-CG1 3.55Å; M21-V28 HydrophobicContact CG-CG2 3.96Å; M21-V28 HydrophobicContact SD-CG1 4.46Å; M21-V28 HydrophobicContact SD-CG2 4.14Å; A24-V28 HydrophobicContact CB-CG1 4.03Å; G25-V28 VanDerWaalsContact O-CA 3.29Å; G25-V28 WeakPolarHBondContact O-CA 3.48Å; G25-V28 PolarHBondContact O-N 3.42Å; P26-V28 PolarHBondContact O-N 2.92Å; V28-Y59 HydrophobicContact CG1-CD1 3.44Å; V28-Y59 VanDerWaalsContact CG1-CD1 3.44Å; V28-Y59 HydrophobicContact CG1-CE1 4.16Å; V28-Y59 HydrophobicContact CG1-CG 4.08Å; V28-G60 PolarHBondContact O-N 3.14Å; V28-G60 VanDerWaalsContact O-N 3.08Å; V28-R89 PolarHBondContact O-NH1 2.97Å; V28-W95 HydrophobicContact CB-CZ2 4.35Å; V28-W95 HydrophobicContact CG1-CZ2 4.34Å; V28-F215 HydrophobicContact CG2-CE1 4.48Å; V28-F215 HydrophobicContact CG2-CZ 4.09Å
29F97.3Very high96.8Very high69 Ų6955.6 Ų55.630%0.30330%0.297SS..BIsolated β-bridgetrans-134.4141.9-172.5-163.4-101.1000111.4G25 P26 G27 P61 R89 A93G25-F29 CarbonylContact C-O 3.52Å; G25-F29 VanDerWaalsContact CA-O 3.27Å; G25-F29 WeakPolarHBondContact CA-O 3.35Å; G25-F29 PolarHBondContact O-N 3.36Å; P26-F29 PolarHBondContact O-N 3.27Å; G27-F29 PolarHBondContact O-N 2.9Å; F29-P61 HydrophobicContact CD2-CG 4.45Å; F29-P61 HydrophobicContact CE2-CG 4.05Å; F29-R89 HydrophobicContact CD2-CB 4.41Å; F29-R89 HydrophobicContact CE2-CB 4.02Å; F29-A93 HydrophobicContact CB-CB 3.86Å; F29-A93 HydrophobicContact CD1-CB 3.82Å; F29-A93 HydrophobicContact CD2-CB 3.51Å; F29-A93 HydrophobicContact CE1-CB 4.2Å; F29-A93 HydrophobicContact CE2-CB 3.92Å; F29-A93 HydrophobicContact CG-CB 3.45Å; F29-A93 VanDerWaalsContact CG-CB 3.45Å; F29-A93 HydrophobicContact CZ-CB 4.24Å
30G96.7Very high96.8Very high17 Ų1757.9 Ų57.918%0.17531%0.311CS..SBendtrans64.9-172.7-171.700000115G25 G60G25-G30 PolarHBondContact N-O 3.21Å; G30-G60 PolarHBondContact N-O 3.1Å; G30-G60 WeakPolarHBondContact O-CA 3.39Å
31P97.2Very high96.8Very high93 Ų9357.9 Ų57.960%0.60431%0.311SS*.  trans-72153.2-179.330-34.8000113.1G25 V63G25-P31 VanDerWaalsContact CA-O 3.25Å; G25-P31 WeakPolarHBondContact CA-O 3.33Å; P31-V63 HydrophobicContact CB-CG1 4.46Å
32P97.2Very high96.9Very high23 Ų2356.5 Ų56.515%0.14930%0.304CS..  trans-64.7160.1168.630.2-34.4000110.4L23 D34 A38 I67L23-P32 VanDerWaalsContact O-CB 3.32Å; L23-P32 WeakPolarHBondContact O-CB 3.47Å; L23-P32 VanDerWaalsContact O-CD 3.26Å; L23-P32 WeakPolarHBondContact O-CD 3.24Å; L23-P32 VanDerWaalsContact O-CG 3.23Å; L23-P32 WeakPolarHBondContact O-CG 3.49Å; P32-D34 PolarHBondContact O-N 2.89Å; P32-A38 HydrophobicContact CG-CB 4.24Å; P32-I67 HydrophobicContact CG-CD1 3.74Å
33R94.7Very high97.1Very high258 Ų25859.3 Ų59.397%0.97431%0.311SS*.SBendtrans-55.7-38.5176.5-179.2179.3175.8-178.3-0.8112.4
34D96.6Very high97.1Very high81 Ų8161.2 Ų61.243%0.43332%0.32SS..  trans-137.2108.5178.6-170.1-28.8000110P32 H36 V37 A38P32-D34 PolarHBondContact O-N 2.89Å; D34-H36 VanDerWaalsContact C-N 3.31Å; D34-H36 PolarHBondContact O-N 3.42Å; D34-H36 WeakPolarHBondContact OD1-CA 3.44Å; D34-H36 VanDerWaalsContact OD1-CB 3.29Å; D34-H36 WeakPolarHBondContact OD1-CB 2.99Å; D34-H36 PolarHBondContact OD1-N 3.28Å; D34-V37 HydrophobicContact CB-CB 4.13Å; D34-V37 HydrophobicContact CB-CG2 3.9Å; D34-V37 PolarHBondContact O-N 3.02Å; D34-V37 PolarHBondContact OD1-N 3.05Å; D34-A38 PolarHBondContact O-N 2.84Å
35R97.9Very high97.2Very high105 Ų10560.7 Ų60.740%0.39632%0.315SS..Hα-helixtrans-66.3-32.2178.3-172.2175.7-174140.72.3112.4A38 I39 I67 E70R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 3.29Å; R35-I39 HydrophobicContact CG-CD1 4.32Å; R35-I39 WeakPolarHBondContact O-CG1 3.31Å; R35-I39 PolarHBondContact O-N 2.76Å; R35-I67 HydrophobicContact CG-CD1 4.23Å; R35-I67 HydrophobicContact CG-CG1 4.06Å; R35-E70 IonicContact CZ-OE2 3.42Å; R35-E70 IonicContact NE-OE2 3.4Å; R35-E70 PolarHBondContact NE-OE2 2.85Å; R35-E70 IonicContact NH2-OE2 2.67Å; R35-E70 PolarHBondContact NH2-OE2 3.18Å
36H98.1Very high97.3Very high123 Ų12362.9 Ų62.957%0.56933%0.325SS*.Hα-helixtrans-69.6-36.1179.7-173.973.3000111.7D34 I39 T40D34-H36 VanDerWaalsContact C-N 3.31Å; D34-H36 PolarHBondContact O-N 3.42Å; D34-H36 WeakPolarHBondContact OD1-CA 3.44Å; D34-H36 VanDerWaalsContact OD1-CB 3.29Å; D34-H36 WeakPolarHBondContact OD1-CB 2.99Å; D34-H36 PolarHBondContact OD1-N 3.28Å; H36-I39 PolarHBondContact O-N 3.41Å; H36-T40 WeakPolarHBondContact O-CB 3.46Å; H36-T40 PolarHBondContact O-N 3.3Å; H36-T40 PolarHBondContact O-OG1 2.67Å
37V97.8Very high97.5Very high61 Ų6160.8 Ų60.837%0.3732%0.319SS..Hα-helixtrans-63.5-44.1171.7174.50000110.6D34 I39 T40 V41 S256D34-V37 HydrophobicContact CB-CB 4.13Å; D34-V37 HydrophobicContact CB-CG2 3.9Å; D34-V37 PolarHBondContact O-N 3.02Å; D34-V37 PolarHBondContact OD1-N 3.05Å; V37-I39 VanDerWaalsContact C-N 3.34Å; V37-I39 PolarHBondContact O-N 2.85Å; V37-T40 WeakPolarHBondContact O-CB 2.89Å; V37-T40 PolarHBondContact O-N 3.03Å; V37-T40 VanDerWaalsContact O-N 3.14Å; V37-V41 HydrophobicContact CG1-CG2 4.49Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 2.79Å; V37-S256 WeakPolarHBondContact CG1-O 3.38Å
38A98.4Very high97.7Very high3 Ų361.3 Ų61.33%0.02531%0.307CS..Hα-helixtrans-59.4-42.9176.400000112.7L23 P32 D34 R35 V41 L42 I67L23-A38 HydrophobicContact CB-CB 4.37Å; L23-A38 HydrophobicContact CD1-CB 4.49Å; L23-A38 HydrophobicContact CD2-CB 3.81Å; L23-A38 HydrophobicContact CG-CB 4.45Å; P32-A38 HydrophobicContact CG-CB 4.24Å; D34-A38 PolarHBondContact O-N 2.84Å; R35-A38 WeakPolarHBondContact O-CB 3.43Å; R35-A38 PolarHBondContact O-N 3.29Å; A38-V41 PolarHBondContact O-N 3.27Å; A38-L42 PolarHBondContact O-N 3.06Å; A38-L42 VanDerWaalsContact O-N 3.15Å; A38-I67 HydrophobicContact CB-CD1 4.28Å; A38-I67 HydrophobicContact CB-CG2 3.92Å
39I98.8Very high97.8Very high10 Ų1062.5 Ų62.55%0.05132%0.322CS..Hα-helixtrans-61.5-44174.1-69.6166.1000111.1R35 H36 V37 V41 L42 R43 I67 E70 A71R35-I39 HydrophobicContact CG-CD1 4.32Å; R35-I39 WeakPolarHBondContact O-CG1 3.31Å; R35-I39 PolarHBondContact O-N 2.76Å; H36-I39 PolarHBondContact O-N 3.41Å; V37-I39 VanDerWaalsContact C-N 3.34Å; V37-I39 PolarHBondContact O-N 2.85Å; I39-V41 VanDerWaalsContact C-N 3.34Å; I39-V41 PolarHBondContact O-N 3.24Å; I39-L42 PolarHBondContact O-N 3.1Å; I39-R43 WeakPolarHBondContact O-CG 3.36Å; I39-R43 PolarHBondContact O-N 3.43Å; I39-R43 VanDerWaalsContact O-N 3.08Å; I39-I67 HydrophobicContact CG1-CG2 4.14Å; I39-E70 HydrophobicContact CD1-CG 3.95Å; I39-E70 WeakPolarHBondContact CD1-OE1 3.29Å; I39-A71 HydrophobicContact CB-CB 4.24Å; I39-A71 HydrophobicContact CG1-CB 4.15Å; I39-A71 HydrophobicContact CG2-CB 3.9Å
40T98.6Very high97.8Very high55 Ų5559.3 Ų59.334%0.33731%0.308SS..Hα-helixtrans-61.4-42.7178.4-59.30000111.5H36 V37 R43 E44 V258H36-T40 WeakPolarHBondContact O-CB 3.46Å; H36-T40 PolarHBondContact O-N 3.3Å; H36-T40 PolarHBondContact O-OG1 2.67Å; V37-T40 WeakPolarHBondContact O-CB 2.89Å; V37-T40 PolarHBondContact O-N 3.03Å; V37-T40 VanDerWaalsContact O-N 3.14Å; T40-R43 PolarHBondContact O-N 2.8Å; T40-E44 WeakPolarHBondContact O-CB 3.43Å; T40-E44 PolarHBondContact O-N 3.4Å; T40-V258 HydrophobicContact CG2-CG2 3.98Å
41V98.7Very high97.9Very high0 Ų059.1 Ų59.10%030%0.303CS..Hα-helixtrans-60.7-45.6176.9170.70000111.6Y18 V37 A38 I39 R43 E44 A45 V258 L261Y18-V41 HydrophobicContact CE2-CG1 3.81Å; Y18-V41 WeakPolarHBondContact OH-CG1 2.99Å; V37-V41 HydrophobicContact CG1-CG2 4.49Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 2.79Å; A38-V41 PolarHBondContact O-N 3.27Å; I39-V41 VanDerWaalsContact C-N 3.34Å; I39-V41 PolarHBondContact O-N 3.24Å; V41-R43 PolarHBondContact O-N 2.86Å; V41-E44 PolarHBondContact O-N 3.38Å; V41-A45 WeakPolarHBondContact O-CB 3.27Å; V41-A45 PolarHBondContact O-N 3.31Å; V41-V258 HydrophobicContact CG2-CG2 3.87Å; V41-L261 HydrophobicContact CG1-CD2 4.25Å; V41-L261 WeakPolarHBondContact O-CD2 3.48Å
42L98.8Very high98Very high0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-63.2-42.4178.9-73.6166.5000112.5Y18 L23 A38 I39 A45 L46 I53 I67 I68 A71 L72Y18-L42 HydrophobicContact CD1-CD2 3.87Å; Y18-L42 HydrophobicContact CE1-CD2 3.59Å; L23-L42 HydrophobicContact CD1-CD1 3.74Å; L23-L42 HydrophobicContact CD1-CD2 3.79Å; L23-L42 HydrophobicContact CD1-CG 3.63Å; A38-L42 PolarHBondContact O-N 3.06Å; A38-L42 VanDerWaalsContact O-N 3.15Å; I39-L42 PolarHBondContact O-N 3.1Å; L42-A45 WeakPolarHBondContact O-CB 3.31Å; L42-A45 PolarHBondContact O-N 3.27Å; L42-L46 WeakPolarHBondContact O-CD1 3.46Å; L42-L46 PolarHBondContact O-N 3.26Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L42-I67 HydrophobicContact CD1-CG2 3.76Å; L42-I68 HydrophobicContact CD1-CG1 3.96Å; L42-I68 HydrophobicContact CD2-CG1 4.11Å; L42-A71 HydrophobicContact CB-CB 4.04Å; L42-A71 HydrophobicContact CD1-CB 3.78Å; L42-L72 HydrophobicContact CB-CD1 4.46Å; L42-L72 HydrophobicContact CB-CD2 4.38Å; L42-L72 HydrophobicContact CB-CG 4.49Å
43R98.7Very high98Very high137 Ų13753.6 Ų53.652%0.51727%0.267SS..Hα-helixtrans-66.2-41.4177.6-72.1177.4175.4168.80.4111.8I39 T40 V41 A45 L46 A47 A71 L72I39-R43 WeakPolarHBondContact O-CG 3.36Å; I39-R43 PolarHBondContact O-N 3.43Å; I39-R43 VanDerWaalsContact O-N 3.08Å; T40-R43 PolarHBondContact O-N 2.8Å; V41-R43 PolarHBondContact O-N 2.86Å; R43-A45 VanDerWaalsContact C-N 3.32Å; R43-L46 PolarHBondContact O-N 3.18Å; R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.48Å; R43-A71 PolarHBondContact NE-O 3.38Å; R43-A71 VanDerWaalsContact NE-O 3.13Å; R43-L72 HydrophobicContact CG-CD2 4.16Å
44E98.6Very high98.2Very high40 Ų4041.4 Ų41.419%0.18722%0.221CC..Hα-helixtrans-64.2-37.9174.6-175.574.3173.600111.4T40 V41 L46 A47 L48 V258 L261 R262T40-E44 WeakPolarHBondContact O-CB 3.43Å; T40-E44 PolarHBondContact O-N 3.4Å; V41-E44 PolarHBondContact O-N 3.38Å; E44-L46 PolarHBondContact O-N 3.35Å; E44-A47 PolarHBondContact O-N 3.24Å; E44-A47 VanDerWaalsContact O-N 3.15Å; E44-L48 HydrophobicContact CG-CD1 3.87Å; E44-L48 HydrophobicContact CG-CG 4.27Å; E44-L48 WeakPolarHBondContact O-CB 3.41Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.19Å; E44-L48 PolarHBondContact O-N 3.38Å; E44-V258 HydrophobicContact CG-CG1 4.1Å; E44-L261 HydrophobicContact CB-CD2 3.83Å; E44-L261 HydrophobicContact CG-CD2 3.77Å; E44-R262 IonicContact OE1-CZ 3.65Å; E44-R262 IonicContact OE1-NE 3.84Å; E44-R262 PolarHBondContact OE1-NE 3.04Å; E44-R262 IonicContact OE1-NH2 2.75Å; E44-R262 PolarHBondContact OE1-NH2 3.12Å; E44-R262 IonicContact OE2-NH2 2.82Å
45A98.6Very high98.3Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-58.3-48.3177.600000110.9Y18 V41 L42 R43 A47 L48 G49 V50 L261Y18-A45 HydrophobicContact CD2-CB 4.41Å; Y18-A45 HydrophobicContact CG-CB 4.4Å; V41-A45 WeakPolarHBondContact O-CB 3.27Å; V41-A45 PolarHBondContact O-N 3.31Å; L42-A45 WeakPolarHBondContact O-CB 3.31Å; L42-A45 PolarHBondContact O-N 3.27Å; R43-A45 VanDerWaalsContact C-N 3.32Å; A45-A47 PolarHBondContact O-N 2.73Å; A45-L48 PolarHBondContact O-N 3.08Å; A45-G49 PolarHBondContact O-N 3.09Å; A45-V50 HydrophobicContact CB-CB 4.12Å; A45-V50 HydrophobicContact CB-CG2 4.06Å; A45-V50 VanDerWaalsContact O-CB 3.23Å; A45-V50 WeakPolarHBondContact O-CB 3.3Å; A45-V50 WeakPolarHBondContact O-CG2 3.47Å; A45-V50 PolarHBondContact O-N 3.21Å; A45-L261 HydrophobicContact CB-CD1 4.17Å; A45-L261 HydrophobicContact CB-CD2 4.01Å
46L98.4Very high98.4Very high54 Ų5432.6 Ų32.628%0.28318%0.182SC..Hα-helixtrans-62.8-41.2174.5-91.270.1000112.1L42 R43 E44 L48 G49 I53 L72 L79L42-L46 WeakPolarHBondContact O-CD1 3.46Å; L42-L46 PolarHBondContact O-N 3.26Å; R43-L46 PolarHBondContact O-N 3.18Å; E44-L46 PolarHBondContact O-N 3.35Å; L46-L48 PolarHBondContact O-N 3.13Å; L46-G49 PolarHBondContact O-N 3.12Å; L46-I53 HydrophobicContact CD1-CD1 3.91Å; L46-L72 HydrophobicContact CD1-CD1 3.76Å; L46-L72 HydrophobicContact CD1-CD2 4.2Å; L46-L72 HydrophobicContact CD2-CD1 4.31Å; L46-L72 HydrophobicContact CD2-CD2 3.96Å; L46-L79 HydrophobicContact CD1-CD1 4.39Å
47A98.1Very high98.3Very high81 Ų8127.1 Ų27.167%0.66916%0.157SC*.Hα-helixtrans-62.7-28.1177.300000113R43 E44 A45 G49R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.48Å; E44-A47 PolarHBondContact O-N 3.24Å; E44-A47 VanDerWaalsContact O-N 3.15Å; A45-A47 PolarHBondContact O-N 2.73Å; A47-G49 VanDerWaalsContact C-N 3.29Å
48L97.7Very high98.3Very high67 Ų6724.9 Ų24.935%0.35114%0.142SC..THydrogen-bonded Turntrans-85.53.8174.1-66.3171.2000113.3E44 A45 L46 L261 R262 M265E44-L48 HydrophobicContact CG-CD1 3.87Å; E44-L48 HydrophobicContact CG-CG 4.27Å; E44-L48 WeakPolarHBondContact O-CB 3.41Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.19Å; E44-L48 PolarHBondContact O-N 3.38Å; A45-L48 PolarHBondContact O-N 3.08Å; L46-L48 PolarHBondContact O-N 3.13Å; L48-L261 HydrophobicContact CD1-CD2 4.15Å; L48-L261 HydrophobicContact CD1-CG 4.07Å; L48-R262 HydrophobicContact CD1-CG 3.89Å; L48-M265 HydrophobicContact CB-CG 4.13Å; L48-M265 HydrophobicContact CD1-CB 4.35Å; L48-M265 HydrophobicContact CD1-CG 3.81Å
49G96.8Very high98.2Very high35 Ų3525.7 Ų25.736%0.36115%0.145SC..THydrogen-bonded Turntrans98.54.1175.200000115.1N14 A45 L46 A47 N51N14-G49 PolarHBondContact ND2-O 3.49Å; A45-G49 PolarHBondContact O-N 3.09Å; L46-G49 PolarHBondContact O-N 3.12Å; A47-G49 VanDerWaalsContact C-N 3.29Å; G49-N51 PolarHBondContact O-N 3.26Å
50V98.3Very high98Very high3 Ų325.7 Ų25.72%0.01815%0.147CC..  trans-63.9120.8174.3172.70000110A45 H52 I53 M265A45-V50 HydrophobicContact CB-CB 4.12Å; A45-V50 HydrophobicContact CB-CG2 4.06Å; A45-V50 VanDerWaalsContact O-CB 3.23Å; A45-V50 WeakPolarHBondContact O-CB 3.3Å; A45-V50 WeakPolarHBondContact O-CG2 3.47Å; A45-V50 PolarHBondContact O-N 3.21Å; V50-H52 VanDerWaalsContact CG1-O 3.3Å; V50-H52 WeakPolarHBondContact CG1-O 3.29Å; V50-I53 HydrophobicContact CG1-CG1 4.38Å; V50-M265 HydrophobicContact CG2-CE 3.76Å; V50-M265 HydrophobicContact CG2-SD 3.89Å
51N98.3Very high97.9Very high12 Ų1224.6 Ų24.66%0.06414%0.141CC..  trans-122.215171.972-14.6000112.9S12 V13 N14 G49 D78 T80S12-N51 PolarHBondContact O-ND2 2.89Å; V13-N51 WeakPolarHBondContact CA-OD1 3.49Å; N14-N51 PolarHBondContact N-OD1 3.01Å; G49-N51 PolarHBondContact O-N 3.26Å; N51-D78 WeakPolarHBondContact CB-OD2 3.48Å; N51-D78 PolarHBondContact ND2-OD2 2.79Å; N51-T80 PolarHBondContact O-N 3.45Å
52H98.6Very high97.8Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-132.2112.4171.8168-149.6000109.7V13 G17 Y18 V50 T80 V82V13-H52 HydrophobicContact CB-CB 3.92Å; V13-H52 HydrophobicContact CG1-CB 4.11Å; V13-H52 HydrophobicContact CG2-CB 4.28Å; G17-H52 CarbonylContact C-O 3.49Å; G17-H52 WeakPolarHBondContact CA-O 3.44Å; Y18-H52 PolarHBondContact N-O 2.83Å; V50-H52 VanDerWaalsContact CG1-O 3.3Å; V50-H52 WeakPolarHBondContact CG1-O 3.29Å; H52-T80 WeakPolarHBondContact CA-O 3.37Å; H52-V82 VanDerWaalsContact NE2-CG2 3.27Å; H52-V82 WeakPolarHBondContact NE2-CG2 3.34Å
53I98.8Very high97.8Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-108.6121.7172.5-67.8173.2000108.7Y18 A20 L42 L46 V50 I68 L72 L79 T80 V82Y18-I53 WeakPolarHBondContact O-CA 3.49Å; A20-I53 HydrophobicContact CB-CG2 4.4Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L46-I53 HydrophobicContact CD1-CD1 3.91Å; V50-I53 HydrophobicContact CG1-CG1 4.38Å; I53-I68 HydrophobicContact CG2-CD1 3.85Å; I53-I68 HydrophobicContact CG2-CG1 4.48Å; I53-L72 HydrophobicContact CD1-CD1 3.4Å; I53-L72 VanDerWaalsContact CD1-CD1 3.4Å; I53-L79 HydrophobicContact CD1-CD1 4.02Å; I53-L79 HydrophobicContact CD1-CD2 4.36Å; I53-L79 HydrophobicContact CG1-CD1 4.06Å; I53-T80 PolarHBondContact N-O 2.94Å; I53-V82 PolarHBondContact O-N 3.04Å
54D98.8Very high97.8Very high3 Ų322 Ų222%0.01614%0.136CC..EExtended strand (participates in β ladder)trans-97.6124.8169.6178.2-90.2000109.9Y18 A20 K84 Q182 I252Y18-D54 PolarHBondContact O-N 3.27Å; A20-D54 WeakPolarHBondContact CB-O 3.29Å; A20-D54 PolarHBondContact N-O 3.4Å; D54-K84 IonicContact OD1-NZ 3.92Å; D54-K84 PolarHBondContact OD1-NZ 3.47Å; D54-K84 IonicContact OD2-NZ 3.25Å; D54-K84 PolarHBondContact OD2-NZ 3.37Å; D54-Q182 PolarHBondContact OD2-NE2 2.89Å; D54-Q182 PolarHBondContact OD2-OE1 3.43Å; D54-I252 HydrophobicContact CB-CB 4.18Å; D54-I252 HydrophobicContact CB-CD1 3.71Å; D54-I252 HydrophobicContact CB-CG2 3.7Å; D54-I252 WeakPolarHBondContact OD1-CD1 3.33Å
55T98.7Very high97.8Very high0 Ų020.1 Ų20.10%013%0.127CC..  trans-135.4-177.4-178.9-170.80000110.2T64 N65 I68 I81 V82 T83 K84T55-T64 WeakPolarHBondContact OG1-CG2 3.29Å; T55-N65 WeakPolarHBondContact CG2-OD1 2.79Å; T55-N65 PolarHBondContact OG1-OD1 3.33Å; T55-I68 HydrophobicContact CG2-CD1 3.89Å; T55-I68 WeakPolarHBondContact OG1-CD1 3.4Å; T55-I81 HydrophobicContact CG2-CG2 4.06Å; T55-V82 WeakPolarHBondContact CG2-O 3.47Å; T55-V82 PolarHBondContact N-O 3.08Å; T55-T83 WeakPolarHBondContact O-CA 3.24Å; T55-K84 PolarHBondContact O-NZ 3.42Å
56S98.2Very high97.8Very high0 Ų023.6 Ų23.60%014%0.143CC..  trans-156.9142.5166.3177.70000109.1F58 Y59S56-F58 PolarHBondContact O-N 3.22Å; S56-F58 VanDerWaalsContact O-N 3.09Å; S56-F58 WeakPolarHBondContact OG-CB 3.25Å; S56-F58 WeakPolarHBondContact OG-CD2 3.45Å; S56-F58 VanDerWaalsContact OG-CE2 3.25Å; S56-F58 WeakPolarHBondContact OG-CE2 3.36Å; S56-F58 WeakPolarHBondContact OG-CG 3.27Å; S56-F58 PolarHBondContact OG-N 2.84Å; S56-F58 VanDerWaalsContact OG-N 3.13Å; S56-Y59 WeakPolarHBondContact O-CB 3.09Å; S56-Y59 WeakPolarHBondContact O-CD2 3.44Å; S56-Y59 PolarHBondContact O-N 2.84Å; S56-Y59 VanDerWaalsContact O-N 3.15Å
57D97.1Very high97.8Very high8 Ų821 Ų214%0.04313%0.13CC..THydrogen-bonded Turntrans-65.1-9.6172-144.645.8000112.6Y59 P61 H62 N65 D110 N114D57-Y59 VanDerWaalsContact C-N 3.3Å; D57-P61 CarbonylContact O-C 3.59Å; D57-P61 WeakPolarHBondContact O-CA 3.48Å; D57-H62 PolarHBondContact O-N 3.41Å; D57-H62 IonicContact OD1-ND1 2.61Å; D57-H62 PolarHBondContact OD1-ND1 2.92Å; D57-H62 IonicContact OD2-CE1 3.68Å; D57-H62 PolarHBondContact OD2-CE1 3.05Å; D57-H62 IonicContact OD2-CG 2.9Å; D57-H62 IonicContact OD2-ND1 3.68Å; D57-H62 PolarHBondContact OD2-ND1 3.35Å; D57-N65 WeakPolarHBondContact CA-ND2 3.26Å; D57-N65 WeakPolarHBondContact CB-ND2 3.46Å; D57-N65 PolarHBondContact OD1-ND2 3.41Å; D57-D110 WeakPolarHBondContact OD2-CB 3.32Å; D57-N114 PolarHBondContact OD1-ND2 2.84Å; D57-N114 PolarHBondContact OD2-ND2 3.27Å
58F97Very high97.8Very high14 Ų1417.1 Ų17.16%0.06110%0.098CC..THydrogen-bonded Turntrans-77.4-16.5176-40.6-31.8000112.9S56 G60 K84 A87 R89 W95 R126S56-F58 PolarHBondContact O-N 3.22Å; S56-F58 VanDerWaalsContact O-N 3.09Å; S56-F58 WeakPolarHBondContact OG-CB 3.25Å; S56-F58 WeakPolarHBondContact OG-CD2 3.45Å; S56-F58 VanDerWaalsContact OG-CE2 3.25Å; S56-F58 WeakPolarHBondContact OG-CE2 3.36Å; S56-F58 WeakPolarHBondContact OG-CG 3.27Å; S56-F58 PolarHBondContact OG-N 2.84Å; S56-F58 VanDerWaalsContact OG-N 3.13Å; F58-G60 PolarHBondContact O-N 2.81Å; F58-K84 HydrophobicContact CE2-CB 3.83Å; F58-K84 HydrophobicContact CZ-CB 4.18Å; F58-K84 VanDerWaalsContact CZ-O 3.3Å; F58-K84 WeakPolarHBondContact CZ-O 3.31Å; F58-A87 HydrophobicContact CD1-CB 4.47Å; F58-A87 WeakPolarHBondContact CD1-O 3.22Å; F58-A87 HydrophobicContact CD2-CB 3.93Å; F58-A87 HydrophobicContact CE1-CB 4.17Å; F58-A87 WeakPolarHBondContact CE1-O 3.26Å; F58-A87 HydrophobicContact CE2-CB 3.56Å; F58-A87 HydrophobicContact CG-CB 4.38Å; F58-A87 HydrophobicContact CZ-CB 3.69Å; F58-A87 WeakPolarHBondContact CZ-O 3.27Å; F58-R89 HydrophobicContact CB-CG 4.25Å; F58-R89 VanDerWaalsContact O-CG 3.31Å; F58-R89 WeakPolarHBondContact O-CG 3.23Å; F58-R89 PolarHBondContact O-NH1 2.96Å; F58-W95 HydrophobicContact CB-CE3 4.38Å; F58-W95 HydrophobicContact CB-CH2 3.79Å; F58-W95 HydrophobicContact CB-CZ3 3.39Å; F58-W95 AromaticContact CD2-CZ3 3.67Å; F58-W95 HydrophobicContact CD2-CZ3 3.67Å; F58-W95 AromaticContact CG-CZ3 3.88Å; F58-W95 HydrophobicContact CG-CZ3 3.88Å; F58-R126 HydrophobicContact CE2-CB 4.46Å
59Y97.6Very high97.9Very high21 Ų2118.8 Ų18.88%0.08210%0.099CC..THydrogen-bonded Turntrans-79.7114.2-175.9-57.1-27.8000110.5M21 V28 S56 D57 P61 V63 T64 K84 W95M21-Y59 HydrophobicContact CB-CD1 4.45Å; M21-Y59 HydrophobicContact CB-CD2 4.25Å; M21-Y59 HydrophobicContact CB-CE1 4.07Å; M21-Y59 HydrophobicContact CB-CE2 3.84Å; M21-Y59 HydrophobicContact CG-CD1 3.97Å; M21-Y59 HydrophobicContact CG-CE1 3.67Å; M21-Y59 HydrophobicContact CG-CE2 4.36Å; M21-Y59 HydrophobicContact CG-CG 4.45Å; M21-Y59 HydrophobicContact SD-CE1 4.3Å; V28-Y59 HydrophobicContact CG1-CD1 3.44Å; V28-Y59 VanDerWaalsContact CG1-CD1 3.44Å; V28-Y59 HydrophobicContact CG1-CE1 4.16Å; V28-Y59 HydrophobicContact CG1-CG 4.08Å; S56-Y59 WeakPolarHBondContact O-CB 3.09Å; S56-Y59 WeakPolarHBondContact O-CD2 3.44Å; S56-Y59 PolarHBondContact O-N 2.84Å; S56-Y59 VanDerWaalsContact O-N 3.15Å; D57-Y59 VanDerWaalsContact C-N 3.3Å; Y59-P61 VanDerWaalsContact C-N 3.26Å; Y59-P61 CarbonylContact O-C 3.16Å; Y59-V63 PolarHBondContact O-N 3.15Å; Y59-T64 VanDerWaalsContact CB-OG1 3.22Å; Y59-T64 WeakPolarHBondContact CB-OG1 3.5Å; Y59-T64 HydrophobicContact CD2-CG2 4.24Å; Y59-T64 PolarHBondContact O-N 2.77Å; Y59-K84 PolarHBondContact OH-NZ 2.96Å; Y59-W95 HydrophobicContact CD1-CH2 4.11Å; Y59-W95 HydrophobicContact CE1-CH2 4.08Å
60G94.4Very high98Very high9 Ų921.8 Ų21.89%0.09310%0.104CC..BIsolated β-bridgetrans76.55.2-174.400000115.7V28 G30 F58 V63V28-G60 PolarHBondContact O-N 3.14Å; V28-G60 VanDerWaalsContact O-N 3.08Å; G30-G60 PolarHBondContact N-O 3.1Å; G30-G60 WeakPolarHBondContact O-CA 3.39Å; F58-G60 PolarHBondContact O-N 2.81Å; G60-V63 WeakPolarHBondContact O-CG2 3.36Å
61P95Very high98Very high33 Ų3322 Ų2221%0.21411%0.106CC..THydrogen-bonded Turn8.2134.1-116.6-37.236.2000118.1F29 D57 Y59 V63 R89F29-P61 HydrophobicContact CD2-CG 4.45Å; F29-P61 HydrophobicContact CE2-CG 4.05Å; D57-P61 CarbonylContact O-C 3.59Å; D57-P61 WeakPolarHBondContact O-CA 3.48Å; Y59-P61 VanDerWaalsContact C-N 3.26Å; Y59-P61 CarbonylContact O-C 3.16Å; P61-V63 PolarHBondContact O-N 2.83Å; P61-R89 HydrophobicContact CG-CB 3.53Å; P61-R89 HydrophobicContact CG-CG 3.68Å
62H97.5Very high98Very high65 Ų6522.5 Ų22.530%0.30111%0.108SC..THydrogen-bonded Turntrans63.6-27.4176.3-43.2-56.1000115.6D57 T64 N65 Q66 N114D57-H62 PolarHBondContact O-N 3.41Å; D57-H62 IonicContact OD1-ND1 2.61Å; D57-H62 PolarHBondContact OD1-ND1 2.92Å; D57-H62 IonicContact OD2-CE1 3.68Å; D57-H62 PolarHBondContact OD2-CE1 3.05Å; D57-H62 IonicContact OD2-CG 2.9Å; D57-H62 IonicContact OD2-ND1 3.68Å; D57-H62 PolarHBondContact OD2-ND1 3.35Å; H62-T64 PolarHBondContact O-N 2.9Å; H62-N65 PolarHBondContact O-N 3.32Å; H62-Q66 VanDerWaalsContact O-CG 3.29Å; H62-Q66 WeakPolarHBondContact O-CG 3.25Å; H62-Q66 PolarHBondContact O-N 3.38Å; H62-N114 WeakPolarHBondContact CB-ND2 3.41Å; H62-N114 PolarHBondContact ND1-ND2 2.84Å
63V98Very high98Very high18 Ų1828.7 Ų28.711%0.10913%0.133CC..Hα-helixtrans-51.5-53.8-175.9168.30000111.5P31 Y59 G60 P61 N65 Q66 I67P31-V63 HydrophobicContact CB-CG1 4.46Å; Y59-V63 PolarHBondContact O-N 3.15Å; G60-V63 WeakPolarHBondContact O-CG2 3.36Å; P61-V63 PolarHBondContact O-N 2.83Å; V63-N65 VanDerWaalsContact C-N 3.32Å; V63-N65 PolarHBondContact O-N 2.84Å; V63-Q66 WeakPolarHBondContact O-CB 3.49Å; V63-Q66 PolarHBondContact O-N 2.98Å; V63-Q66 VanDerWaalsContact O-N 3.16Å; V63-I67 HydrophobicContact CG1-CD1 3.67Å; V63-I67 HydrophobicContact CG1-CG1 4.36Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.31Å
64T98.5Very high98Very high0 Ų033.7 Ų33.70%017%0.165CC..Hα-helixtrans-63.2-40.7-175.3-62.50000111.4A20 L23 T55 Y59 H62 Q66 I67 I68A20-T64 HydrophobicContact CB-CG2 3.32Å; A20-T64 VanDerWaalsContact O-CG2 3.24Å; A20-T64 WeakPolarHBondContact O-CG2 3.49Å; L23-T64 HydrophobicContact CB-CG2 4.3Å; T55-T64 WeakPolarHBondContact OG1-CG2 3.29Å; Y59-T64 VanDerWaalsContact CB-OG1 3.22Å; Y59-T64 WeakPolarHBondContact CB-OG1 3.5Å; Y59-T64 HydrophobicContact CD2-CG2 4.24Å; Y59-T64 PolarHBondContact O-N 2.77Å; H62-T64 PolarHBondContact O-N 2.9Å; T64-Q66 PolarHBondContact O-N 2.65Å; T64-I67 PolarHBondContact O-N 3.25Å; T64-I68 HydrophobicContact CG2-CD1 4Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.29Å; T64-I68 PolarHBondContact O-N 2.88Å
65N98.8Very high97.9Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-63.1-41.5175.2-76.7-0.7000112T55 D57 H62 V63 I67 I68 R69 N111 N114 L115T55-N65 WeakPolarHBondContact CG2-OD1 2.79Å; T55-N65 PolarHBondContact OG1-OD1 3.33Å; D57-N65 WeakPolarHBondContact CA-ND2 3.26Å; D57-N65 WeakPolarHBondContact CB-ND2 3.46Å; D57-N65 PolarHBondContact OD1-ND2 3.41Å; H62-N65 PolarHBondContact O-N 3.32Å; V63-N65 VanDerWaalsContact C-N 3.32Å; V63-N65 PolarHBondContact O-N 2.84Å; N65-I67 VanDerWaalsContact C-N 3.34Å; N65-I67 PolarHBondContact O-N 2.85Å; N65-I68 PolarHBondContact O-N 3.24Å; N65-R69 PolarHBondContact O-N 2.86Å; N65-N111 PolarHBondContact ND2-OD1 3.48Å; N65-N114 HydrophobicContact CB-CB 3.88Å; N65-L115 HydrophobicContact CB-CD2 3.83Å; N65-L115 HydrophobicContact CB-CG 4.08Å
66Q98.7Very high97.8Very high72 Ų7238.4 Ų38.434%0.33619%0.193SC..Hα-helixtrans-65.1-36.9175.8-68.6168.27.900112.3H62 V63 T64 R69 E70 N114H62-Q66 VanDerWaalsContact O-CG 3.29Å; H62-Q66 WeakPolarHBondContact O-CG 3.25Å; H62-Q66 PolarHBondContact O-N 3.38Å; V63-Q66 WeakPolarHBondContact O-CB 3.49Å; V63-Q66 PolarHBondContact O-N 2.98Å; V63-Q66 VanDerWaalsContact O-N 3.16Å; T64-Q66 PolarHBondContact O-N 2.65Å; Q66-R69 PolarHBondContact O-N 3.38Å; Q66-E70 WeakPolarHBondContact O-CB 3.16Å; Q66-E70 PolarHBondContact O-N 3.37Å; Q66-N114 HydrophobicContact CG-CB 4.41Å
67I98.8Very high97.7Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-67.9-43.2174.8-67.8172.4000110.5P32 R35 A38 I39 L42 V63 T64 N65 R69 E70 A71P32-I67 HydrophobicContact CG-CD1 3.74Å; R35-I67 HydrophobicContact CG-CD1 4.23Å; R35-I67 HydrophobicContact CG-CG1 4.06Å; A38-I67 HydrophobicContact CB-CD1 4.28Å; A38-I67 HydrophobicContact CB-CG2 3.92Å; I39-I67 HydrophobicContact CG1-CG2 4.14Å; L42-I67 HydrophobicContact CD1-CG2 3.76Å; V63-I67 HydrophobicContact CG1-CD1 3.67Å; V63-I67 HydrophobicContact CG1-CG1 4.36Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.31Å; T64-I67 PolarHBondContact O-N 3.25Å; N65-I67 VanDerWaalsContact C-N 3.34Å; N65-I67 PolarHBondContact O-N 2.85Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.75Å; I67-E70 PolarHBondContact O-N 3.29Å; I67-A71 VanDerWaalsContact O-CB 3.25Å; I67-A71 WeakPolarHBondContact O-CB 3.3Å; I67-A71 PolarHBondContact O-N 2.93Å
68I98.9Very high97.6Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-57.7-46.8174.7-71.7164.1000110.5A20 L42 I53 T55 T64 N65 A71 L72 Y75 I81 L115A20-I68 HydrophobicContact CB-CD1 3.9Å; L42-I68 HydrophobicContact CD1-CG1 3.96Å; L42-I68 HydrophobicContact CD2-CG1 4.11Å; I53-I68 HydrophobicContact CG2-CD1 3.85Å; I53-I68 HydrophobicContact CG2-CG1 4.48Å; T55-I68 HydrophobicContact CG2-CD1 3.89Å; T55-I68 WeakPolarHBondContact OG1-CD1 3.4Å; T64-I68 HydrophobicContact CG2-CD1 4Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.29Å; T64-I68 PolarHBondContact O-N 2.88Å; N65-I68 PolarHBondContact O-N 3.24Å; I68-A71 PolarHBondContact O-N 3.34Å; I68-L72 HydrophobicContact CG2-CD1 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.1Å; I68-L72 PolarHBondContact O-N 2.96Å; I68-Y75 HydrophobicContact CG2-CE1 3.98Å; I68-I81 HydrophobicContact CG2-CD1 4.25Å; I68-L115 HydrophobicContact CB-CD2 4.32Å; I68-L115 HydrophobicContact CG2-CD2 4.05Å
69R98.8Very high97.7Very high102 Ų10249.1 Ų49.139%0.38525%0.251SS..Hα-helixtrans-59.5-50.9175.6-176.3-178.4177.7173-0.1112.1N65 Q66 I67 A71 L72 Y73 Y75 R113 N114 L115N65-R69 PolarHBondContact O-N 2.86Å; Q66-R69 PolarHBondContact O-N 3.38Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.75Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.16Å; R69-L72 PolarHBondContact O-N 2.93Å; R69-Y73 HydrophobicContact CG-CG 4.4Å; R69-Y73 WeakPolarHBondContact O-CB 3.38Å; R69-Y73 PolarHBondContact O-N 3.49Å; R69-Y75 VanDerWaalsContact CA-OH 3.26Å; R69-Y75 WeakPolarHBondContact CA-OH 3.4Å; R69-R113 PolarHBondContact NH1-O 3.22Å; R69-N114 VanDerWaalsContact CD-O 3.31Å; R69-N114 WeakPolarHBondContact CD-O 3.28Å; R69-L115 WeakPolarHBondContact CG-O 3.3Å
70E98.6Very high97.8Very high97 Ų9748.2 Ų48.245%0.45325%0.248SC..Hα-helixtrans-61.8-37-180-177.2-179.9170.100112.9R35 I39 Q66 I67R35-E70 IonicContact CZ-OE2 3.42Å; R35-E70 IonicContact NE-OE2 3.4Å; R35-E70 PolarHBondContact NE-OE2 2.85Å; R35-E70 IonicContact NH2-OE2 2.67Å; R35-E70 PolarHBondContact NH2-OE2 3.18Å; I39-E70 HydrophobicContact CD1-CG 3.95Å; I39-E70 WeakPolarHBondContact CD1-OE1 3.29Å; Q66-E70 WeakPolarHBondContact O-CB 3.16Å; Q66-E70 PolarHBondContact O-N 3.37Å; I67-E70 PolarHBondContact O-N 3.29Å
71A98.6Very high98Very high8 Ų848 Ų487%0.06625%0.245CC..Hα-helixtrans-73.1-40.3-17800000112.7I39 L42 R43 I67 I68 R69I39-A71 HydrophobicContact CB-CB 4.24Å; I39-A71 HydrophobicContact CG1-CB 4.15Å; I39-A71 HydrophobicContact CG2-CB 3.9Å; L42-A71 HydrophobicContact CB-CB 4.04Å; L42-A71 HydrophobicContact CD1-CB 3.78Å; R43-A71 PolarHBondContact NE-O 3.38Å; R43-A71 VanDerWaalsContact NE-O 3.13Å; I67-A71 VanDerWaalsContact O-CB 3.25Å; I67-A71 WeakPolarHBondContact O-CB 3.3Å; I67-A71 PolarHBondContact O-N 2.93Å; I68-A71 PolarHBondContact O-N 3.34Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.16Å
72L98.7Very high98.1Very high22 Ų2246.5 Ų46.512%0.11524%0.235CC..Hα-helixtrans-126.6-8.5-159.5-52.5-178.4000115.3L42 R43 L46 I53 I68 R69 P74 Y75 L79L42-L72 HydrophobicContact CB-CD1 4.46Å; L42-L72 HydrophobicContact CB-CD2 4.38Å; L42-L72 HydrophobicContact CB-CG 4.49Å; R43-L72 HydrophobicContact CG-CD2 4.16Å; L46-L72 HydrophobicContact CD1-CD1 3.76Å; L46-L72 HydrophobicContact CD1-CD2 4.2Å; L46-L72 HydrophobicContact CD2-CD1 4.31Å; L46-L72 HydrophobicContact CD2-CD2 3.96Å; I53-L72 HydrophobicContact CD1-CD1 3.4Å; I53-L72 VanDerWaalsContact CD1-CD1 3.4Å; I68-L72 HydrophobicContact CG2-CD1 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.1Å; I68-L72 PolarHBondContact O-N 2.96Å; R69-L72 PolarHBondContact O-N 2.93Å; L72-P74 CarbonylContact O-C 3.5Å; L72-Y75 HydrophobicContact CB-CD1 3.85Å; L72-Y75 HydrophobicContact CB-CE1 3.93Å; L72-Y75 WeakPolarHBondContact O-CA 3.48Å; L72-Y75 PolarHBondContact O-N 2.97Å; L72-L79 HydrophobicContact CD1-CD2 4.07Å
73Y98.5Very high98.2Very high131 Ų13143.4 Ų43.451%0.51422%0.22SC..PPolyproline II helixtrans-77.1138.7177.3-174.6-88.1000111.5R69 Y75 G116R69-Y73 HydrophobicContact CG-CG 4.4Å; R69-Y73 WeakPolarHBondContact O-CB 3.38Å; R69-Y73 PolarHBondContact O-N 3.49Å; Y73-Y75 AromaticContact CD2-CD2 3.97Å; Y73-Y75 HydrophobicContact CD2-CD2 3.97Å; Y73-Y75 AromaticContact CD2-CE2 3.83Å; Y73-Y75 HydrophobicContact CD2-CE2 3.83Å; Y73-G116 VanDerWaalsContact CE2-O 3.3Å; Y73-G116 WeakPolarHBondContact CE2-O 3.37Å
74P98.1Very high98.2Very high105 Ų10543 Ų4368%0.68222%0.217SC*.SBendcis-68.4135.9-5.129.5-35000111.8L72L72-P74 CarbonylContact O-C 3.5Å
75Y98.3Very high98.2Very high35 Ų3543 Ų4314%0.13722%0.217CC..PPolyproline II helixtrans-69.9144.7-174.3-56.2-65.4000111.9I68 R69 L72 Y73 L79 I81 L115 L117I68-Y75 HydrophobicContact CG2-CE1 3.98Å; R69-Y75 VanDerWaalsContact CA-OH 3.26Å; R69-Y75 WeakPolarHBondContact CA-OH 3.4Å; L72-Y75 HydrophobicContact CB-CD1 3.85Å; L72-Y75 HydrophobicContact CB-CE1 3.93Å; L72-Y75 WeakPolarHBondContact O-CA 3.48Å; L72-Y75 PolarHBondContact O-N 2.97Å; Y73-Y75 AromaticContact CD2-CD2 3.97Å; Y73-Y75 HydrophobicContact CD2-CD2 3.97Å; Y73-Y75 AromaticContact CD2-CE2 3.83Å; Y73-Y75 HydrophobicContact CD2-CE2 3.83Å; Y75-L79 HydrophobicContact CD1-CD2 3.93Å; Y75-I81 HydrophobicContact CD1-CD1 3.77Å; Y75-I81 HydrophobicContact CD2-CD1 4.16Å; Y75-I81 HydrophobicContact CE1-CD1 3.58Å; Y75-I81 HydrophobicContact CE2-CD1 3.99Å; Y75-I81 HydrophobicContact CG-CD1 4.04Å; Y75-L115 VanDerWaalsContact CE2-O 3.27Å; Y75-L115 WeakPolarHBondContact CE2-O 3.29Å; Y75-L115 PolarHBondContact OH-O 3.21Å; Y75-L117 HydrophobicContact CD2-CD2 3.59Å; Y75-L117 HydrophobicContact CD2-CG 4.29Å; Y75-L117 HydrophobicContact CE2-CD1 4.35Å; Y75-L117 HydrophobicContact CE2-CD2 3.7Å; Y75-L117 HydrophobicContact CE2-CG 3.88Å
76S96.4Very high98.2Very high67 Ų6743.1 Ų43.147%0.46922%0.218SC..PPolyproline II helixtrans-62.2141.6169.6179.50000110.6D78 L79S76-D78 PolarHBondContact O-N 3.46Å; S76-D78 PolarHBondContact OG-N 2.78Å; S76-L79 WeakPolarHBondContact O-CB 3.47Å; S76-L79 PolarHBondContact O-N 2.94Å
77D95.3Very high98.1Very high152 Ų15239.9 Ų39.981%0.81320%0.204SC*.THydrogen-bonded Turntrans-59.1-28.8175.6-71.6-29.1000112.7K11K11-D77 WeakPolarHBondContact CE-O 3.27Å; K11-D77 PolarHBondContact NZ-O 3.34Å
78D95.9Very high98Very high89 Ų8945.4 Ų45.448%0.47623%0.225SC..THydrogen-bonded Turntrans-78.6-17.8177.8-170.954.2000113.2N51 S76 T80N51-D78 WeakPolarHBondContact CB-OD2 3.48Å; N51-D78 PolarHBondContact ND2-OD2 2.79Å; S76-D78 PolarHBondContact O-N 3.46Å; S76-D78 PolarHBondContact OG-N 2.78Å; D78-T80 PolarHBondContact O-N 2.59Å
79L98.4Very high97.9Very high5 Ų546.7 Ų46.73%0.02623%0.229CC..  trans-73.9129.3178.9-178.762.1000110.1K11 L46 I53 L72 Y75 S76 I81K11-L79 PolarHBondContact NZ-O 2.98Å; L46-L79 HydrophobicContact CD1-CD1 4.39Å; I53-L79 HydrophobicContact CD1-CD1 4.02Å; I53-L79 HydrophobicContact CD1-CD2 4.36Å; I53-L79 HydrophobicContact CG1-CD1 4.06Å; L72-L79 HydrophobicContact CD1-CD2 4.07Å; Y75-L79 HydrophobicContact CD1-CD2 3.93Å; S76-L79 WeakPolarHBondContact O-CB 3.47Å; S76-L79 PolarHBondContact O-N 2.94Å; L79-I81 HydrophobicContact CD2-CD1 4.15Å; L79-I81 HydrophobicContact CD2-CG1 4.07Å; L79-I81 HydrophobicContact CG-CG1 4.06Å
80T98.7Very high97.7Very high2 Ų242.3 Ų42.31%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-105.5119.7169.9-55.30000109.4L8 K11 V13 N51 H52 I53 D78 V82 D121 V122L8-T80 HydrophobicContact CD2-CG2 3.96Å; L8-T80 HydrophobicContact CG-CG2 4.45Å; K11-T80 WeakPolarHBondContact CD-OG1 3.46Å; V13-T80 WeakPolarHBondContact CG1-OG1 3.39Å; N51-T80 PolarHBondContact O-N 3.45Å; H52-T80 WeakPolarHBondContact CA-O 3.37Å; I53-T80 PolarHBondContact N-O 2.94Å; D78-T80 PolarHBondContact O-N 2.59Å; T80-V82 HydrophobicContact CG2-CG2 4.32Å; T80-D121 HydrophobicContact CG2-CB 4.13Å; T80-V122 HydrophobicContact CG2-CG2 4.11Å
81I98.8Very high97.4Very high6 Ų647.2 Ų47.23%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-103.2118.1175.7-57.9177000109.7T55 I68 Y75 L79 L115 D121 V122T55-I81 HydrophobicContact CG2-CG2 4.06Å; I68-I81 HydrophobicContact CG2-CD1 4.25Å; Y75-I81 HydrophobicContact CD1-CD1 3.77Å; Y75-I81 HydrophobicContact CD2-CD1 4.16Å; Y75-I81 HydrophobicContact CE1-CD1 3.58Å; Y75-I81 HydrophobicContact CE2-CD1 3.99Å; Y75-I81 HydrophobicContact CG-CD1 4.04Å; L79-I81 HydrophobicContact CD2-CD1 4.15Å; L79-I81 HydrophobicContact CD2-CG1 4.07Å; L79-I81 HydrophobicContact CG-CG1 4.06Å; I81-L115 HydrophobicContact CG2-CD1 4Å; I81-L115 HydrophobicContact CG2-CD2 4.36Å; I81-D121 PolarHBondContact N-OD2 2.8Å; I81-V122 PolarHBondContact O-N 3.48Å
82V98.9Very high97.3Very high0 Ų052.8 Ų52.80%027%0.268CS..EExtended strand (participates in β ladder)trans-102.8126.1176.9-177.50000108.9L8 H52 I53 T55 T80 V122 N124L8-V82 HydrophobicContact CD2-CG2 3.68Å; H52-V82 VanDerWaalsContact NE2-CG2 3.27Å; H52-V82 WeakPolarHBondContact NE2-CG2 3.34Å; I53-V82 PolarHBondContact O-N 3.04Å; T55-V82 WeakPolarHBondContact CG2-O 3.47Å; T55-V82 PolarHBondContact N-O 3.08Å; T80-V82 HydrophobicContact CG2-CG2 4.32Å; V82-V122 HydrophobicContact CB-CB 4.37Å; V82-V122 HydrophobicContact CG1-CB 4.17Å; V82-V122 HydrophobicContact CG1-CG1 4.27Å; V82-V122 HydrophobicContact CG2-CB 3.94Å; V82-V122 HydrophobicContact CG2-CG2 4.06Å; V82-N124 WeakPolarHBondContact CG1-ND2 3.04Å
83T98.8Very high97.1Very high0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-124-177.7174.8-166.10000111.7T55 N111 L120 V122 V123 N124T55-T83 WeakPolarHBondContact O-CA 3.24Å; T83-N111 WeakPolarHBondContact CB-OD1 3.5Å; T83-N111 HydrophobicContact CG2-CB 4.2Å; T83-N111 WeakPolarHBondContact CG2-OD1 3.43Å; T83-N111 PolarHBondContact OG1-OD1 3.5Å; T83-L120 HydrophobicContact CG2-CD1 4.12Å; T83-L120 HydrophobicContact CG2-CD2 4.44Å; T83-V122 PolarHBondContact N-O 3.41Å; T83-V123 HydrophobicContact CG2-CG2 4.11Å; T83-N124 PolarHBondContact O-N 2.95Å; T83-N124 PolarHBondContact O-ND2 3.3Å
84K98.6Very high96.9Very high11 Ų1148.4 Ų48.45%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-135.1143.6-175.9-46.6-173.6-179.2670111.4D54 T55 F58 Y59 N124D54-K84 IonicContact OD1-NZ 3.92Å; D54-K84 PolarHBondContact OD1-NZ 3.47Å; D54-K84 IonicContact OD2-NZ 3.25Å; D54-K84 PolarHBondContact OD2-NZ 3.37Å; T55-K84 PolarHBondContact O-NZ 3.42Å; F58-K84 HydrophobicContact CE2-CB 3.83Å; F58-K84 HydrophobicContact CZ-CB 4.18Å; F58-K84 VanDerWaalsContact CZ-O 3.3Å; F58-K84 WeakPolarHBondContact CZ-O 3.31Å; Y59-K84 PolarHBondContact OH-NZ 2.96Å; K84-N124 VanDerWaalsContact CA-O 3.29Å; K84-N124 WeakPolarHBondContact CA-O 3.3Å; K84-N124 HydrophobicContact CG-CB 4.24Å
85I98.6Very high96.7Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-126.1175.7167.767.8173.7000109.9L104 A107 V108 V123 N124 L125 R126 L147 M150I85-L104 HydrophobicContact CB-CD2 4.38Å; I85-L104 HydrophobicContact CD1-CB 4.26Å; I85-L104 HydrophobicContact CD1-CD2 3.75Å; I85-L104 HydrophobicContact CG1-CD2 3.98Å; I85-A107 HydrophobicContact CB-CB 3.95Å; I85-A107 HydrophobicContact CG2-CB 3.64Å; I85-V108 HydrophobicContact CD1-CG2 4.09Å; I85-V108 HydrophobicContact CG2-CG2 4.12Å; I85-V123 HydrophobicContact CB-CG1 4.37Å; I85-V123 HydrophobicContact CD1-CG1 3.94Å; I85-V123 HydrophobicContact CG1-CG1 3.77Å; I85-V123 HydrophobicContact CG2-CG1 3.89Å; I85-N124 PolarHBondContact N-O 2.96Å; I85-L125 HydrophobicContact CG1-CD1 4.25Å; I85-R126 VanDerWaalsContact O-CB 3.27Å; I85-R126 WeakPolarHBondContact O-CB 3.42Å; I85-R126 PolarHBondContact O-N 3.15Å; I85-L147 HydrophobicContact CD1-CD1 3.86Å; I85-L147 HydrophobicContact CD1-CD2 4.16Å; I85-L147 HydrophobicContact CD1-CG 4.4Å; I85-M150 HydrophobicContact CD1-CE 4.24Å
86G97.7Very high96.5Very high1 Ų149.2 Ų49.21%0.0125%0.253CS..SBendtrans97-2-18000000114.5A98 F99G86-A98 WeakPolarHBondContact CA-O 3.45Å; G86-A98 PolarHBondContact O-N 2.83Å; G86-F99 WeakPolarHBondContact O-CD1 3.47Å; G86-F99 WeakPolarHBondContact O-CE1 3.37Å
87A96.7Very high96.4Very high5 Ų549.1 Ų49.14%0.04125%0.25CS..EExtended strand (participates in β ladder)trans-134.5167.5171.900000111.2F58 L96 M128F58-A87 HydrophobicContact CD1-CB 4.47Å; F58-A87 WeakPolarHBondContact CD1-O 3.22Å; F58-A87 HydrophobicContact CD2-CB 3.93Å; F58-A87 HydrophobicContact CE1-CB 4.17Å; F58-A87 WeakPolarHBondContact CE1-O 3.26Å; F58-A87 HydrophobicContact CE2-CB 3.56Å; F58-A87 HydrophobicContact CG-CB 4.38Å; F58-A87 HydrophobicContact CZ-CB 3.69Å; F58-A87 WeakPolarHBondContact CZ-O 3.27Å; A87-L96 CarbonylContact C-O 3.59Å; A87-L96 VanDerWaalsContact CA-O 3.29Å; A87-L96 WeakPolarHBondContact CA-O 3.24Å; A87-M128 HydrophobicContact CB-SD 3.43Å; A87-M128 WeakPolarHBondContact CB-SD 3.25Å
88R96.2Very high96.5Very high116 Ų11642.2 Ų42.244%0.43821%0.214SC..EExtended strand (participates in β ladder)trans-146167.4167.264.4-174.5174.975.35.9109.7L96 A98 E103R88-L96 HydrophobicContact CG-CB 3.98Å; R88-L96 PolarHBondContact N-O 3.15Å; R88-L96 PolarHBondContact O-N 2.94Å; R88-A98 HydrophobicContact CB-CB 4.28Å; R88-A98 HydrophobicContact CG-CB 4.09Å; R88-E103 IonicContact NE-OE1 3.57Å
89R96.7Very high96.5Very high26 Ų2640.6 Ų40.610%0.09820%0.203CC..EExtended strand (participates in β ladder)trans-104.2138.6172.6-57.3-66.2-69.8-81.85.7111.1G27 V28 F29 F58 P61 A93 S94 W95G27-R89 PolarHBondContact O-NH2 2.96Å; V28-R89 PolarHBondContact O-NH1 2.97Å; F29-R89 HydrophobicContact CD2-CB 4.41Å; F29-R89 HydrophobicContact CE2-CB 4.02Å; F58-R89 HydrophobicContact CB-CG 4.25Å; F58-R89 VanDerWaalsContact O-CG 3.31Å; F58-R89 WeakPolarHBondContact O-CG 3.23Å; F58-R89 PolarHBondContact O-NH1 2.96Å; P61-R89 HydrophobicContact CG-CB 3.53Å; P61-R89 HydrophobicContact CG-CG 3.68Å; R89-A93 VanDerWaalsContact CZ-O 3.28Å; R89-A93 PolarHBondContact NE-O 3.11Å; R89-A93 PolarHBondContact NH2-O 2.87Å; R89-S94 CarbonylContact C-O 3.29Å; R89-S94 VanDerWaalsContact CA-O 3.23Å; R89-S94 WeakPolarHBondContact CA-O 3.21Å; R89-S94 PolarHBondContact NE-O 3.08Å; R89-W95 VanDerWaalsContact NH1-CZ2 3.34Å
90G95.4Very high96.4Very high11 Ų1142.7 Ų42.711%0.11322%0.218CC..  trans-76.5168.6169.400000112.5D92 A93 S94G90-D92 PolarHBondContact O-N 3.27Å; G90-A93 PolarHBondContact O-N 3.02Å; G90-S94 PolarHBondContact N-O 3.23Å
91E93.2Very high96.4Very high200 Ų20046.1 Ų46.194%0.93524%0.24SC*.THydrogen-bonded Turntrans-62.3-27.5173.9-64.6-176.6170.700112.3A93E91-A93 PolarHBondContact O-N 2.93Å
92D94.6Very high96.4Very high124 Ų12449 Ų4966%0.66327%0.265SS*.THydrogen-bonded Turntrans-86.114.1174.568.4-17.8000113.3G90 S94G90-D92 PolarHBondContact O-N 3.27Å; D92-S94 PolarHBondContact O-N 3.01Å; D92-S94 WeakPolarHBondContact OD1-CB 3.32Å; D92-S94 PolarHBondContact OD1-N 3.03Å; D92-S94 PolarHBondContact OD1-OG 2.87Å
93A95.1Very high96.3Very high27 Ų2752.2 Ų52.222%0.22328%0.28CS..  trans6411.1-175.200000115.6F29 R89 G90 E91F29-A93 HydrophobicContact CB-CB 3.86Å; F29-A93 HydrophobicContact CD1-CB 3.82Å; F29-A93 HydrophobicContact CD2-CB 3.51Å; F29-A93 HydrophobicContact CE1-CB 4.2Å; F29-A93 HydrophobicContact CE2-CB 3.92Å; F29-A93 HydrophobicContact CG-CB 3.45Å; F29-A93 VanDerWaalsContact CG-CB 3.45Å; F29-A93 HydrophobicContact CZ-CB 4.24Å; R89-A93 VanDerWaalsContact CZ-O 3.28Å; R89-A93 PolarHBondContact NE-O 3.11Å; R89-A93 PolarHBondContact NH2-O 2.87Å; G90-A93 PolarHBondContact O-N 3.02Å; E91-A93 PolarHBondContact O-N 2.93Å
94S94.5Very high96.3Very high34 Ų3452.2 Ų52.224%0.23828%0.28CS..  trans-60.9151.9174.557.70000112.5R89 G90 D92R89-S94 CarbonylContact C-O 3.29Å; R89-S94 VanDerWaalsContact CA-O 3.23Å; R89-S94 WeakPolarHBondContact CA-O 3.21Å; R89-S94 PolarHBondContact NE-O 3.08Å; G90-S94 PolarHBondContact N-O 3.23Å; D92-S94 PolarHBondContact O-N 3.01Å; D92-S94 WeakPolarHBondContact OD1-CB 3.32Å; D92-S94 PolarHBondContact OD1-N 3.03Å; D92-S94 PolarHBondContact OD1-OG 2.87Å
95W93.2Very high96.3Very high108 Ų10855.5 Ų55.541%0.40930%0.296SS..EExtended strand (participates in β ladder)trans-94.6119171.7-68.492.7000109V28 F58 Y59 R89 M128V28-W95 HydrophobicContact CB-CZ2 4.35Å; V28-W95 HydrophobicContact CG1-CZ2 4.34Å; F58-W95 HydrophobicContact CB-CE3 4.38Å; F58-W95 HydrophobicContact CB-CH2 3.79Å; F58-W95 HydrophobicContact CB-CZ3 3.39Å; F58-W95 AromaticContact CD2-CZ3 3.67Å; F58-W95 HydrophobicContact CD2-CZ3 3.67Å; F58-W95 AromaticContact CG-CZ3 3.88Å; F58-W95 HydrophobicContact CG-CZ3 3.88Å; Y59-W95 HydrophobicContact CD1-CH2 4.11Å; Y59-W95 HydrophobicContact CE1-CH2 4.08Å; R89-W95 VanDerWaalsContact NH1-CZ2 3.34Å; W95-M128 HydrophobicContact CB-CE 3.84Å
96L94.8Very high96.3Very high50 Ų5061.5 Ų61.526%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-122.5137.5-173-60.3171.4000110.5A87 R88A87-L96 CarbonylContact C-O 3.59Å; A87-L96 VanDerWaalsContact CA-O 3.29Å; A87-L96 WeakPolarHBondContact CA-O 3.24Å; R88-L96 HydrophobicContact CG-CB 3.98Å; R88-L96 PolarHBondContact N-O 3.15Å; R88-L96 PolarHBondContact O-N 2.94Å
97P95.4Very high96.4Very high65 Ų6562.2 Ų62.242%0.42233%0.327SS..EExtended strand (participates in β ladder)trans-63.8145.1173.327.4-33.7000110.8F99 M128P97-F99 HydrophobicContact CB-CD2 3.93Å; P97-F99 HydrophobicContact CB-CE1 4.48Å; P97-F99 HydrophobicContact CB-CE2 3.32Å; P97-F99 HydrophobicContact CB-CZ 3.61Å; P97-M128 HydrophobicContact CB-CB 4.45Å
98A96.2Very high96.5Very high6 Ų662 Ų625%0.0533%0.325CS..  trans-145.668.3-178.100000110.4G86 R88 E103G86-A98 WeakPolarHBondContact CA-O 3.45Å; G86-A98 PolarHBondContact O-N 2.83Å; R88-A98 HydrophobicContact CB-CB 4.28Å; R88-A98 HydrophobicContact CG-CB 4.09Å; A98-E103 WeakPolarHBondContact CA-OE2 3.41Å; A98-E103 HydrophobicContact CB-CB 4.05Å; A98-E103 HydrophobicContact CB-CG 4.33Å
99F95.2Very high96.6Very high56 Ų5660.8 Ų60.825%0.24633%0.325CS..  trans-100.6-6.6-170.2-54.6-46.7000114.6G86 P97 E103 L104 R126 M128 S143G86-F99 WeakPolarHBondContact O-CD1 3.47Å; G86-F99 WeakPolarHBondContact O-CE1 3.37Å; P97-F99 HydrophobicContact CB-CD2 3.93Å; P97-F99 HydrophobicContact CB-CE1 4.48Å; P97-F99 HydrophobicContact CB-CE2 3.32Å; P97-F99 HydrophobicContact CB-CZ 3.61Å; F99-E103 PolarHBondContact N-OE2 3Å; F99-L104 WeakPolarHBondContact O-CD1 3.2Å; F99-R126 WeakPolarHBondContact CE1-O 3.43Å; F99-M128 HydrophobicContact CZ-CB 3.82Å; F99-M128 VanDerWaalsContact CZ-N 3.29Å; F99-S143 PolarHBondContact O-OG 2.9Å
100S96.9Very high96.7Very high49 Ų4960.7 Ų60.734%0.34333%0.326SS..SBendtrans-65150.1179.668.50000110.3A102 E103 L104S100-A102 PolarHBondContact O-N 2.86Å; S100-A102 VanDerWaalsContact O-N 3.17Å; S100-E103 WeakPolarHBondContact CB-OE2 3.5Å; S100-E103 PolarHBondContact N-OE2 3.45Å; S100-E103 VanDerWaalsContact N-OE2 3.16Å; S100-E103 PolarHBondContact O-N 3.42Å; S100-E103 WeakPolarHBondContact OG-CB 3.35Å; S100-E103 VanDerWaalsContact OG-CD 3.27Å; S100-E103 WeakPolarHBondContact OG-CG 3.3Å; S100-E103 PolarHBondContact OG-N 3.37Å; S100-E103 PolarHBondContact OG-OE2 3.3Å; S100-L104 WeakPolarHBondContact O-CG 3.47Å; S100-L104 PolarHBondContact O-N 3.09Å
101P98.5Very high96.9Very high73 Ų7360.1 Ų60.147%0.47432%0.321SS..Hα-helixtrans-52.2-41.4179.2-28.734.4000113.3L104 Q105 V146P101-L104 PolarHBondContact O-N 3.34Å; P101-Q105 WeakPolarHBondContact O-CB 2.91Å; P101-Q105 VanDerWaalsContact O-CG 3.23Å; P101-Q105 WeakPolarHBondContact O-CG 3.35Å; P101-Q105 PolarHBondContact O-N 2.94Å; P101-V146 HydrophobicContact CB-CG1 4.35Å; P101-V146 HydrophobicContact CB-CG2 3.82Å; P101-V146 HydrophobicContact CG-CG2 3.93Å
102A98.5Very high97.1Very high68 Ų6851.3 Ų51.356%0.56228%0.28SS*.Hα-helixtrans-65.6-39.2178.400000112.8S100 K106S100-A102 PolarHBondContact O-N 2.86Å; S100-A102 VanDerWaalsContact O-N 3.17Å; A102-K106 VanDerWaalsContact O-CB 3.26Å; A102-K106 WeakPolarHBondContact O-CB 3.19Å; A102-K106 PolarHBondContact O-N 3.2Å
103E98.4Very high97.3Very high66 Ų6653.4 Ų53.431%0.30828%0.278SS..Hα-helixtrans-68.1-42176.6-74.7169.8128.700111.8R88 A98 F99 S100 K106 A107R88-E103 IonicContact NE-OE1 3.57Å; A98-E103 WeakPolarHBondContact CA-OE2 3.41Å; A98-E103 HydrophobicContact CB-CB 4.05Å; A98-E103 HydrophobicContact CB-CG 4.33Å; F99-E103 PolarHBondContact N-OE2 3Å; S100-E103 WeakPolarHBondContact CB-OE2 3.5Å; S100-E103 PolarHBondContact N-OE2 3.45Å; S100-E103 VanDerWaalsContact N-OE2 3.16Å; S100-E103 PolarHBondContact O-N 3.42Å; S100-E103 WeakPolarHBondContact OG-CB 3.35Å; S100-E103 VanDerWaalsContact OG-CD 3.27Å; S100-E103 WeakPolarHBondContact OG-CG 3.3Å; S100-E103 PolarHBondContact OG-N 3.37Å; S100-E103 PolarHBondContact OG-OE2 3.3Å; E103-K106 PolarHBondContact O-N 3.48Å; E103-A107 VanDerWaalsContact O-CB 3.32Å; E103-A107 WeakPolarHBondContact O-CB 3.4Å; E103-A107 PolarHBondContact O-N 3.12Å
104L98.8Very high97.5Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-64.7-45.1178.1-65.4171.8000111.5I85 F99 S100 P101 A107 V108 L125 V146 M150I85-L104 HydrophobicContact CB-CD2 4.38Å; I85-L104 HydrophobicContact CD1-CB 4.26Å; I85-L104 HydrophobicContact CD1-CD2 3.75Å; I85-L104 HydrophobicContact CG1-CD2 3.98Å; F99-L104 WeakPolarHBondContact O-CD1 3.2Å; S100-L104 WeakPolarHBondContact O-CG 3.47Å; S100-L104 PolarHBondContact O-N 3.09Å; P101-L104 PolarHBondContact O-N 3.34Å; L104-A107 PolarHBondContact O-N 3.24Å; L104-V108 PolarHBondContact O-N 2.94Å; L104-L125 HydrophobicContact CD2-CD1 3.97Å; L104-V146 HydrophobicContact CB-CG1 4.15Å; L104-V146 HydrophobicContact CD1-CB 4.17Å; L104-V146 HydrophobicContact CD1-CG1 4.32Å; L104-M150 HydrophobicContact CB-CE 4.38Å
105Q98.7Very high97.7Very high80 Ų8051.4 Ų51.437%0.37426%0.261SS..Hα-helixtrans-60.5-47.2174.9-73171.26.600111.5P101 A107 V108 H109 V146 M150P101-Q105 WeakPolarHBondContact O-CB 2.91Å; P101-Q105 VanDerWaalsContact O-CG 3.23Å; P101-Q105 WeakPolarHBondContact O-CG 3.35Å; P101-Q105 PolarHBondContact O-N 2.94Å; Q105-A107 VanDerWaalsContact C-N 3.31Å; Q105-A107 PolarHBondContact O-N 3.23Å; Q105-V108 PolarHBondContact O-N 3.31Å; Q105-H109 PolarHBondContact O-CD2 3.2Å; Q105-H109 PolarHBondContact O-N 3.46Å; Q105-H109 VanDerWaalsContact O-N 3.1Å; Q105-V146 HydrophobicContact CG-CG1 4.21Å; Q105-M150 HydrophobicContact CB-SD 4.32Å; Q105-M150 HydrophobicContact CG-SD 3.93Å
106K98.4Very high98Very high127 Ų12747.2 Ų47.255%0.55225%0.251SS*.Hα-helixtrans-58.3-45175.7-175.1-177.6-176.8-60.90111.2A102 E103 V108 H109 D110A102-K106 VanDerWaalsContact O-CB 3.26Å; A102-K106 WeakPolarHBondContact O-CB 3.19Å; A102-K106 PolarHBondContact O-N 3.2Å; E103-K106 PolarHBondContact O-N 3.48Å; K106-V108 VanDerWaalsContact C-N 3.35Å; K106-V108 PolarHBondContact O-N 2.91Å; K106-H109 PolarHBondContact O-N 3.36Å; K106-D110 IonicContact NZ-OD1 3.23Å; K106-D110 IonicContact NZ-OD2 2.95Å; K106-D110 PolarHBondContact NZ-OD2 3.32Å; K106-D110 WeakPolarHBondContact O-CB 3.38Å; K106-D110 VanDerWaalsContact O-CG 3.28Å; K106-D110 PolarHBondContact O-N 2.82Å
107A98.7Very high98.2Very high15 Ų1546.5 Ų46.512%0.12425%0.248CC..Hα-helixtrans-62.8-38.4-179.400000112.6I85 E103 L104 Q105 N111I85-A107 HydrophobicContact CB-CB 3.95Å; I85-A107 HydrophobicContact CG2-CB 3.64Å; E103-A107 VanDerWaalsContact O-CB 3.32Å; E103-A107 WeakPolarHBondContact O-CB 3.4Å; E103-A107 PolarHBondContact O-N 3.12Å; L104-A107 PolarHBondContact O-N 3.24Å; Q105-A107 VanDerWaalsContact C-N 3.31Å; Q105-A107 PolarHBondContact O-N 3.23Å; A107-N111 PolarHBondContact O-N 3.45Å; A107-N111 PolarHBondContact O-ND2 2.69Å
108V98.9Very high98.3Very high0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-63.7-47.5173.4168.60000111I85 L104 Q105 K106 D110 N111 L112 L120 L147 M150 L155 V156I85-V108 HydrophobicContact CD1-CG2 4.09Å; I85-V108 HydrophobicContact CG2-CG2 4.12Å; L104-V108 PolarHBondContact O-N 2.94Å; Q105-V108 PolarHBondContact O-N 3.31Å; K106-V108 VanDerWaalsContact C-N 3.35Å; K106-V108 PolarHBondContact O-N 2.91Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3.49Å; V108-N111 PolarHBondContact O-N 3.45Å; V108-L112 HydrophobicContact CG1-CD1 4.02Å; V108-L112 HydrophobicContact CG1-CG 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 2.94Å; V108-L120 HydrophobicContact CG1-CD1 4.16Å; V108-L147 HydrophobicContact CG2-CD1 4.41Å; V108-M150 HydrophobicContact CB-CE 4.32Å; V108-M150 HydrophobicContact CB-SD 3.75Å; V108-M150 HydrophobicContact CG1-SD 4.15Å; V108-M150 HydrophobicContact CG2-CE 3.48Å; V108-M150 VanDerWaalsContact CG2-CE 3.48Å; V108-M150 HydrophobicContact CG2-SD 3.57Å; V108-M150 VanDerWaalsContact CG2-SD 3.57Å; V108-L155 HydrophobicContact CG1-CB 4.09Å; V108-L155 HydrophobicContact CG1-CD1 4.43Å; V108-V156 HydrophobicContact CG1-CG2 4.22Å; V108-V156 HydrophobicContact CG2-CG2 4.43Å
109H98.8Very high98.4Very high92 Ų9252.6 Ų52.643%0.42628%0.278SS..Hα-helixtrans-64.5-35178.1-73.9-60.6000113.8Q105 K106 R113Q105-H109 PolarHBondContact O-CD2 3.2Å; Q105-H109 PolarHBondContact O-N 3.46Å; Q105-H109 VanDerWaalsContact O-N 3.1Å; K106-H109 PolarHBondContact O-N 3.36Å; H109-R113 WeakPolarHBondContact O-CB 3.2Å; H109-R113 PolarHBondContact O-N 3.21Å
110D98.7Very high98.6Very high23 Ų2350 Ų5012%0.12327%0.266CS..Hα-helixtrans-66.4-43.9174.8-71.1-20000111D57 K106 V108 R113 N114D57-D110 WeakPolarHBondContact OD2-CB 3.32Å; K106-D110 IonicContact NZ-OD1 3.23Å; K106-D110 IonicContact NZ-OD2 2.95Å; K106-D110 PolarHBondContact NZ-OD2 3.32Å; K106-D110 WeakPolarHBondContact O-CB 3.38Å; K106-D110 VanDerWaalsContact O-CG 3.28Å; K106-D110 PolarHBondContact O-N 2.82Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3.49Å; D110-R113 PolarHBondContact O-N 3.01Å; D110-N114 WeakPolarHBondContact O-CB 3.15Å; D110-N114 VanDerWaalsContact O-CG 3.26Å; D110-N114 PolarHBondContact O-N 3.29Å; D110-N114 PolarHBondContact O-ND2 3.2Å; D110-N114 VanDerWaalsContact O-ND2 3.1Å
111N98.8Very high98.7Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-59.8-47.7174.4-85.2-82.4000112.2N65 T83 A107 V108 R113 N114 L115 L120N65-N111 PolarHBondContact ND2-OD1 3.48Å; T83-N111 WeakPolarHBondContact CB-OD1 3.5Å; T83-N111 HydrophobicContact CG2-CB 4.2Å; T83-N111 WeakPolarHBondContact CG2-OD1 3.43Å; T83-N111 PolarHBondContact OG1-OD1 3.5Å; A107-N111 PolarHBondContact O-N 3.45Å; A107-N111 PolarHBondContact O-ND2 2.69Å; V108-N111 PolarHBondContact O-N 3.45Å; N111-R113 VanDerWaalsContact C-N 3.31Å; N111-R113 PolarHBondContact O-N 3.27Å; N111-N114 PolarHBondContact O-N 2.89Å; N111-L115 WeakPolarHBondContact O-CB 3.2Å; N111-L115 PolarHBondContact O-N 3.03Å; N111-L120 HydrophobicContact CB-CD1 3.78Å; N111-L120 HydrophobicContact CB-CD2 4.02Å
112L98.9Very high98.7Very high15 Ų1545 Ų458%0.07923%0.232CC..Hα-helixtrans-54.4-47.6175.8-72.7168.5000111.1V108 G116 L117 D118 L120 L155V108-L112 HydrophobicContact CG1-CD1 4.02Å; V108-L112 HydrophobicContact CG1-CG 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 2.94Å; L112-G116 WeakPolarHBondContact O-CA 3.03Å; L112-G116 PolarHBondContact O-N 3.31Å; L112-L117 WeakPolarHBondContact CB-O 3.5Å; L112-L117 HydrophobicContact CD2-CB 4.32Å; L112-L117 VanDerWaalsContact CD2-O 3.24Å; L112-L117 WeakPolarHBondContact CD2-O 3.2Å; L112-L117 PolarHBondContact O-N 3.32Å; L112-D118 VanDerWaalsContact CD2-C 3.48Å; L112-D118 WeakPolarHBondContact CD2-O 3.36Å; L112-L120 HydrophobicContact CD2-CD1 4.5Å; L112-L120 HydrophobicContact CD2-CD2 4.06Å; L112-L120 HydrophobicContact CD2-CG 3.72Å; L112-L120 HydrophobicContact CG-CD1 4.35Å; L112-L120 HydrophobicContact CG-CD2 4.41Å; L112-L120 HydrophobicContact CG-CG 4.07Å; L112-L155 HydrophobicContact CD1-CB 4.36Å; L112-L155 HydrophobicContact CD1-CD2 4.02Å
113R98.8Very high98.7Very high167 Ų16741.8 Ų41.863%0.6321%0.205SC*.Hα-helixtrans-65-47.9178.9-172.4-165.1-47.5-123-1112.8R69 H109 D110 N111 G116R69-R113 PolarHBondContact NH1-O 3.22Å; H109-R113 WeakPolarHBondContact O-CB 3.2Å; H109-R113 PolarHBondContact O-N 3.21Å; D110-R113 PolarHBondContact O-N 3.01Å; N111-R113 VanDerWaalsContact C-N 3.31Å; N111-R113 PolarHBondContact O-N 3.27Å; R113-G116 PolarHBondContact O-N 2.93Å
114N98.8Very high98.7Very high19 Ų1938.7 Ų38.710%0.10219%0.19CC..Hα-helixtrans-72.9-33.6-172.9-70.7-36.5000112.1D57 H62 N65 Q66 R69 D110 N111D57-N114 PolarHBondContact OD1-ND2 2.84Å; D57-N114 PolarHBondContact OD2-ND2 3.27Å; H62-N114 WeakPolarHBondContact CB-ND2 3.41Å; H62-N114 PolarHBondContact ND1-ND2 2.84Å; N65-N114 HydrophobicContact CB-CB 3.88Å; Q66-N114 HydrophobicContact CG-CB 4.41Å; R69-N114 VanDerWaalsContact CD-O 3.31Å; R69-N114 WeakPolarHBondContact CD-O 3.28Å; D110-N114 WeakPolarHBondContact O-CB 3.15Å; D110-N114 VanDerWaalsContact O-CG 3.26Å; D110-N114 PolarHBondContact O-N 3.29Å; D110-N114 PolarHBondContact O-ND2 3.2Å; D110-N114 VanDerWaalsContact O-ND2 3.1Å; N111-N114 PolarHBondContact O-N 2.89Å
115L98.7Very high98.7Very high1 Ų138.8 Ų38.81%0.00519%0.191CC..Hα-helixtrans-83.2-19.4171.7-65.3168000112.3N65 I68 R69 Y75 I81 N111 L117 L120N65-L115 HydrophobicContact CB-CD2 3.83Å; N65-L115 HydrophobicContact CB-CG 4.08Å; I68-L115 HydrophobicContact CB-CD2 4.32Å; I68-L115 HydrophobicContact CG2-CD2 4.05Å; R69-L115 WeakPolarHBondContact CG-O 3.3Å; Y75-L115 VanDerWaalsContact CE2-O 3.27Å; Y75-L115 WeakPolarHBondContact CE2-O 3.29Å; Y75-L115 PolarHBondContact OH-O 3.21Å; I81-L115 HydrophobicContact CG2-CD1 4Å; I81-L115 HydrophobicContact CG2-CD2 4.36Å; N111-L115 WeakPolarHBondContact O-CB 3.2Å; N111-L115 PolarHBondContact O-N 3.03Å; L115-L117 HydrophobicContact CB-CD1 3.82Å; L115-L117 HydrophobicContact CB-CG 4.03Å; L115-L117 HydrophobicContact CD1-CD1 4.11Å; L115-L120 HydrophobicContact CD1-CD2 3.92Å
116G98.6Very high98.7Very high19 Ų1937.6 Ų37.620%0.19618%0.183CC..THydrogen-bonded Turntrans70.141.4-17700000112.3Y73 L112 R113Y73-G116 VanDerWaalsContact CE2-O 3.3Å; Y73-G116 WeakPolarHBondContact CE2-O 3.37Å; L112-G116 WeakPolarHBondContact O-CA 3.03Å; L112-G116 PolarHBondContact O-N 3.31Å; R113-G116 PolarHBondContact O-N 2.93Å
117L98.6Very high98.6Very high36 Ų3631.6 Ų31.619%0.18816%0.157CC..  trans-113.6146.9179.4-69.5169.9000109.8Y75 L112 L115 L120Y75-L117 HydrophobicContact CD2-CD2 3.59Å; Y75-L117 HydrophobicContact CD2-CG 4.29Å; Y75-L117 HydrophobicContact CE2-CD1 4.35Å; Y75-L117 HydrophobicContact CE2-CD2 3.7Å; Y75-L117 HydrophobicContact CE2-CG 3.88Å; L112-L117 WeakPolarHBondContact CB-O 3.5Å; L112-L117 HydrophobicContact CD2-CB 4.32Å; L112-L117 VanDerWaalsContact CD2-O 3.24Å; L112-L117 WeakPolarHBondContact CD2-O 3.2Å; L112-L117 PolarHBondContact O-N 3.32Å; L115-L117 HydrophobicContact CB-CD1 3.82Å; L115-L117 HydrophobicContact CB-CG 4.03Å; L115-L117 HydrophobicContact CD1-CD1 4.11Å; L117-L120 HydrophobicContact CD1-CD2 4.06Å
118D98.3Very high98.3Very high152 Ų15233.3 Ų33.381%0.81316%0.163SC*.SBendtrans-84.6-25.3168.4-61.8-43000111.8L112L112-D118 VanDerWaalsContact CD2-C 3.48Å; L112-D118 WeakPolarHBondContact CD2-O 3.36Å
119V98.7Very high97.9Very high47 Ų4735.3 Ų35.329%0.28517%0.173SC..SBendtrans-141.7132.8178.7-169.20000109.9G154 K157V119-G154 VanDerWaalsContact CG1-O 3.31Å; V119-G154 WeakPolarHBondContact CG1-O 3.42Å; V119-G154 WeakPolarHBondContact CG2-O 3.46Å; V119-K157 HydrophobicContact CG1-CD 4.47Å; V119-K157 HydrophobicContact CG1-CG 3.59Å
120L98.8Very high97.3Very high2 Ų234.2 Ų34.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-81.2137.4174.7-61.2172.1000111T83 V108 N111 L112 L115 L117 V123 L155 K157T83-L120 HydrophobicContact CG2-CD1 4.12Å; T83-L120 HydrophobicContact CG2-CD2 4.44Å; V108-L120 HydrophobicContact CG1-CD1 4.16Å; N111-L120 HydrophobicContact CB-CD1 3.78Å; N111-L120 HydrophobicContact CB-CD2 4.02Å; L112-L120 HydrophobicContact CD2-CD1 4.5Å; L112-L120 HydrophobicContact CD2-CD2 4.06Å; L112-L120 HydrophobicContact CD2-CG 3.72Å; L112-L120 HydrophobicContact CG-CD1 4.35Å; L112-L120 HydrophobicContact CG-CD2 4.41Å; L112-L120 HydrophobicContact CG-CG 4.07Å; L115-L120 HydrophobicContact CD1-CD2 3.92Å; L117-L120 HydrophobicContact CD1-CD2 4.06Å; L120-V123 HydrophobicContact CB-CG2 3.81Å; L120-V123 HydrophobicContact CD1-CG2 3.5Å; L120-V123 VanDerWaalsContact CD1-CG2 3.5Å; L120-V123 HydrophobicContact CG-CG2 4.29Å; L120-L155 PolarHBondContact N-O 2.99Å; L120-K157 PolarHBondContact O-N 2.8Å
121D98.6Very high96.3Very high16 Ų1639.3 Ų39.39%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-69-55.4179.8-71.3-38.6000112.1K11 T80 I81 K157 H158K11-D121 IonicContact NZ-OD1 3.64Å; K11-D121 IonicContact NZ-OD2 3.38Å; T80-D121 HydrophobicContact CG2-CB 4.13Å; I81-D121 PolarHBondContact N-OD2 2.8Å; D121-K157 WeakPolarHBondContact O-CB 3.24Å; D121-K157 IonicContact OD1-NZ 3.83Å; D121-K157 PolarHBondContact OD1-NZ 3.29Å; D121-H158 WeakPolarHBondContact O-CB 3.41Å; D121-H158 PolarHBondContact O-N 2.99Å
122V98.9Very high95Very high1 Ų142.3 Ų42.31%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-136.6130.6176.4-169.40000110.1L8 T80 I81 V82 T83 H158 V179L8-V122 HydrophobicContact CD1-CG2 4.47Å; L8-V122 HydrophobicContact CD2-CG2 4.37Å; L8-V122 HydrophobicContact CG-CG2 4.11Å; T80-V122 HydrophobicContact CG2-CG2 4.11Å; I81-V122 PolarHBondContact O-N 3.48Å; V82-V122 HydrophobicContact CB-CB 4.37Å; V82-V122 HydrophobicContact CG1-CB 4.17Å; V82-V122 HydrophobicContact CG1-CG1 4.27Å; V82-V122 HydrophobicContact CG2-CB 3.94Å; V82-V122 HydrophobicContact CG2-CG2 4.06Å; T83-V122 PolarHBondContact N-O 3.41Å; V122-H158 WeakPolarHBondContact CA-O 3.32Å; V122-H158 HydrophobicContact CG1-CB 4.42Å; V122-H158 HydrophobicContact CG2-CB 4.15Å; V122-V179 HydrophobicContact CG1-CG2 3.88Å; V122-V179 HydrophobicContact CG2-CG2 4.48Å
123V98.9Very high93.7Very high0 Ų049.3 Ų49.30%028%0.277CS..EExtended strand (participates in β ladder)trans-115.1118.6172177.90000109.6T83 I85 L120 L147 V156 H158 G160T83-V123 HydrophobicContact CG2-CG2 4.11Å; I85-V123 HydrophobicContact CB-CG1 4.37Å; I85-V123 HydrophobicContact CD1-CG1 3.94Å; I85-V123 HydrophobicContact CG1-CG1 3.77Å; I85-V123 HydrophobicContact CG2-CG1 3.89Å; L120-V123 HydrophobicContact CB-CG2 3.81Å; L120-V123 HydrophobicContact CD1-CG2 3.5Å; L120-V123 VanDerWaalsContact CD1-CG2 3.5Å; L120-V123 HydrophobicContact CG-CG2 4.29Å; V123-L147 HydrophobicContact CB-CD1 4.14Å; V123-L147 HydrophobicContact CB-CD2 4.43Å; V123-L147 HydrophobicContact CG1-CD1 3.86Å; V123-L147 HydrophobicContact CG1-CD2 4.01Å; V123-V156 HydrophobicContact CB-CG1 3.91Å; V123-V156 HydrophobicContact CB-CG2 4.35Å; V123-V156 HydrophobicContact CG2-CB 4.33Å; V123-V156 HydrophobicContact CG2-CG1 3.73Å; V123-V156 HydrophobicContact CG2-CG2 3.67Å; V123-H158 PolarHBondContact N-O 2.87Å; V123-G160 PolarHBondContact O-N 3.01Å
124N98.9Very high93.1Very high0 Ų042.2 Ų42.20%026%0.255CS..EExtended strand (participates in β ladder)trans-85.5128.5169.1-65.4-71.5000111V82 T83 K84 I85 R126 G160 L161 C180 Q182V82-N124 WeakPolarHBondContact CG1-ND2 3.04Å; T83-N124 PolarHBondContact O-N 2.95Å; T83-N124 PolarHBondContact O-ND2 3.3Å; K84-N124 VanDerWaalsContact CA-O 3.29Å; K84-N124 WeakPolarHBondContact CA-O 3.3Å; K84-N124 HydrophobicContact CG-CB 4.24Å; I85-N124 PolarHBondContact N-O 2.96Å; N124-R126 PolarHBondContact O-N 2.84Å; N124-G160 VanDerWaalsContact CA-O 3.3Å; N124-G160 WeakPolarHBondContact CA-O 3.29Å; N124-G160 WeakPolarHBondContact OD1-CA 3.16Å; N124-L161 PolarHBondContact OD1-N 3Å; N124-C180 PolarHBondContact OD1-SG 3.44Å; N124-Q182 PolarHBondContact ND2-NE2 3.25Å
125L98.7Very high92.8Very high2 Ų243.9 Ų43.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-76106.7163.3-179.162.7000108.6I85 L104 V127 L144 L147 G160 L161 S162I85-L125 HydrophobicContact CG1-CD1 4.25Å; L104-L125 HydrophobicContact CD2-CD1 3.97Å; L125-V127 HydrophobicContact CG-CG2 4.33Å; L125-V127 PolarHBondContact O-N 2.62Å; L125-L144 HydrophobicContact CB-CD1 4.5Å; L125-L144 HydrophobicContact CD2-CB 4.14Å; L125-L144 HydrophobicContact CD2-CD1 4.03Å; L125-L147 HydrophobicContact CB-CD2 4.24Å; L125-G160 PolarHBondContact N-O 3Å; L125-L161 HydrophobicContact CB-CD2 4.37Å; L125-S162 PolarHBondContact O-N 2.84Å
126R97.5Very high92.6Very high55 Ų5545.1 Ų45.121%0.20828%0.278CS..EExtended strand (participates in β ladder)trans-79111.3173.9176.866.9-174.2-177.59.1109.2F58 I85 F99 N124 M128 S162 N163F58-R126 HydrophobicContact CE2-CB 4.46Å; I85-R126 VanDerWaalsContact O-CB 3.27Å; I85-R126 WeakPolarHBondContact O-CB 3.42Å; I85-R126 PolarHBondContact O-N 3.15Å; F99-R126 WeakPolarHBondContact CE1-O 3.43Å; N124-R126 PolarHBondContact O-N 2.84Å; R126-M128 HydrophobicContact CG-CG 4.1Å; R126-S162 VanDerWaalsContact CD-OG 3.28Å; R126-S162 WeakPolarHBondContact CD-OG 3.36Å; R126-S162 PolarHBondContact NH1-OG 3.44Å; R126-N163 VanDerWaalsContact CZ-CB 3.42Å
127V96.8Very high92.4Very high2 Ų249.7 Ų49.71%0.01229%0.294CS..  trans-89.2110.8-179.4-179.60000109.6L125 M129 I140 S162 N163 V164L125-V127 HydrophobicContact CG-CG2 4.33Å; L125-V127 PolarHBondContact O-N 2.62Å; V127-M129 HydrophobicContact CG1-CB 4.27Å; V127-M129 HydrophobicContact CG1-CE 4.08Å; V127-M129 HydrophobicContact CG1-CG 3.75Å; V127-M129 HydrophobicContact CG1-SD 3.91Å; V127-I140 HydrophobicContact CG1-CG2 3.93Å; V127-I140 HydrophobicContact CG2-CG2 3.72Å; V127-S162 PolarHBondContact N-O 3.03Å; V127-N163 VanDerWaalsContact O-CB 3.3Å; V127-N163 WeakPolarHBondContact O-CB 3.48Å; V127-N163 PolarHBondContact O-ND2 3.4Å; V127-V164 HydrophobicContact CB-CG1 4.06Å; V127-V164 HydrophobicContact CG2-CG1 3.55Å
128M93.6Very high92.3Very high50 Ų5049.6 Ų49.625%0.24630%0.302CS..  trans-110.665.5175.2-59.4-179.85900110.2A87 W95 P97 F99 R126A87-M128 HydrophobicContact CB-SD 3.43Å; A87-M128 WeakPolarHBondContact CB-SD 3.25Å; W95-M128 HydrophobicContact CB-CE 3.84Å; P97-M128 HydrophobicContact CB-CB 4.45Å; F99-M128 HydrophobicContact CZ-CB 3.82Å; F99-M128 VanDerWaalsContact CZ-N 3.29Å; R126-M128 HydrophobicContact CG-CG 4.1Å
129M89.6Confident92.2Very high43 Ų4345.7 Ų45.721%0.21229%0.286CS..  trans-93157.5169.6-65.5178.6-174.600109.7V127 A136 S139 I140V127-M129 HydrophobicContact CG1-CB 4.27Å; V127-M129 HydrophobicContact CG1-CE 4.08Å; V127-M129 HydrophobicContact CG1-CG 3.75Å; V127-M129 HydrophobicContact CG1-SD 3.91Å; M129-A136 HydrophobicContact CB-CB 4.12Å; M129-S139 WeakPolarHBondContact CE-O 3.46Å; M129-I140 HydrophobicContact CE-CG2 3.56Å; M129-I140 HydrophobicContact SD-CG2 4.46Å
130G85.5Confident92.2Very high69 Ų6943.6 Ų43.671%0.71127%0.273SS*.THydrogen-bonded Turntrans77.3-152.1179.100000113.9
131D78.1Confident92.2Very high129 Ų12948.6 Ų48.669%0.6930%0.297SS*.THydrogen-bonded Turntrans-95.1-1.4-171.170.1-9.5000114.3H133D131-H133 IonicContact OD1-CG 3.18Å; D131-H133 PolarHBondContact OD1-N 3.27Å; D131-H133 VanDerWaalsContact OD1-N 3.15Å; D131-H133 IonicContact OD1-ND1 3.98Å; D131-H133 PolarHBondContact OD1-ND1 3.18Å; D131-H133 IonicContact OD2-CE1 2.67Å; D131-H133 IonicContact OD2-CG 3.63Å; D131-H133 IonicContact OD2-ND1 3.64Å; D131-H133 PolarHBondContact OD2-ND1 2.89Å
132G72.5Confident92.2Very high63 Ų6351.6 Ų51.665%0.64932%0.324SS*.SBendtrans97.2-1.4176.900000116.1G134G132-G134 VanDerWaalsContact C-N 3.27Å; G132-G134 PolarHBondContact O-N 2.77Å
133H71Confident92.1Very high162 Ų16252.3 Ų52.375%0.7533%0.329SS*.SBendtrans-83.18.5-180-65.899.7000115.1D131D131-H133 IonicContact OD1-CG 3.18Å; D131-H133 PolarHBondContact OD1-N 3.27Å; D131-H133 VanDerWaalsContact OD1-N 3.15Å; D131-H133 IonicContact OD1-ND1 3.98Å; D131-H133 PolarHBondContact OD1-ND1 3.18Å; D131-H133 IonicContact OD2-CE1 2.67Å; D131-H133 IonicContact OD2-CG 3.63Å; D131-H133 IonicContact OD2-ND1 3.64Å; D131-H133 PolarHBondContact OD2-ND1 2.89Å
134G85.8Confident92.1Very high18 Ų1852.3 Ų52.319%0.18633%0.329CS..SBendtrans151.9-165.7178.800000112.4G132 N163G132-G134 VanDerWaalsContact C-N 3.27Å; G132-G134 PolarHBondContact O-N 2.77Å; G134-N163 PolarHBondContact O-ND2 2.96Å
135P93Very high92.1Very high55 Ų5554.5 Ų54.536%0.35734%0.342SS..  trans-62.3136.1169.9-2133.4000111.1T165P135-T165 HydrophobicContact CB-CG2 3.83Å
136A94.4Very high92.1Very high27 Ų2754.9 Ų54.922%0.22335%0.345CS..  trans-126145.2172.600000109.4M129 Q168M129-A136 HydrophobicContact CB-CB 4.12Å; A136-Q168 PolarHBondContact O-NE2 3.48Å
137E95.1Very high92.2Very high115 Ų11552.3 Ų52.354%0.53734%0.335SS..  trans-66.1149.5-179.6-66.6-64.8175.200112.2T165 T167E137-T165 VanDerWaalsContact CD-OG1 3.29Å; E137-T165 HydrophobicContact CG-CG2 4.23Å; E137-T165 VanDerWaalsContact OE1-CB 3.27Å; E137-T165 WeakPolarHBondContact OE1-CB 3.45Å; E137-T165 WeakPolarHBondContact OE1-CG2 3.22Å; E137-T165 PolarHBondContact OE1-OG1 3.46Å; E137-T165 PolarHBondContact OE2-OG1 3.07Å; E137-T167 PolarHBondContact OE1-OG1 2.91Å; E137-T167 WeakPolarHBondContact OE2-CB 3.45Å
138G95.2Very high92.3Very high33 Ų3352.4 Ų52.434%0.3434%0.336SS..  trans153.1149.9-177.500000109.9Q168G138-Q168 WeakPolarHBondContact O-CG 3.39Å; G138-Q168 PolarHBondContact O-NE2 3.11Å
139S97.3Very high92.5Very high71 Ų7154.1 Ų54.150%0.49734%0.344SS..  trans-73.1132.4-179-179.70000110.9M129 E141 E171M129-S139 WeakPolarHBondContact CE-O 3.46Å; S139-E141 WeakPolarHBondContact OG-CB 3.41Å; S139-E141 PolarHBondContact OG-N 2.96Å; S139-E171 WeakPolarHBondContact CA-OE2 3.5Å; S139-E171 WeakPolarHBondContact CB-OE1 3.49Å; S139-E171 VanDerWaalsContact OG-CD 3.31Å; S139-E171 PolarHBondContact OG-OE1 2.76Å; S139-E171 PolarHBondContact OG-OE2 3.32Å
140I97.9Very high92.9Very high2 Ų252.1 Ų52.11%0.0133%0.334CS..  trans-103.7-1.9175.859.9162.1000111.9V127 M129 A142 S143 L144 L161 Q168 E171 A172V127-I140 HydrophobicContact CG1-CG2 3.93Å; V127-I140 HydrophobicContact CG2-CG2 3.72Å; M129-I140 HydrophobicContact CE-CG2 3.56Å; M129-I140 HydrophobicContact SD-CG2 4.46Å; I140-A142 VanDerWaalsContact C-N 3.35Å; I140-A142 PolarHBondContact O-N 3.41Å; I140-S143 PolarHBondContact O-N 3.04Å; I140-S143 VanDerWaalsContact O-N 3.14Å; I140-L144 WeakPolarHBondContact O-CB 3.45Å; I140-L144 PolarHBondContact O-N 2.62Å; I140-L161 HydrophobicContact CD1-CD2 4.01Å; I140-Q168 HydrophobicContact CD1-CB 3.97Å; I140-Q168 HydrophobicContact CG1-CB 4.23Å; I140-Q168 HydrophobicContact CG1-CG 4.32Å; I140-Q168 HydrophobicContact CG2-CG 4.04Å; I140-E171 WeakPolarHBondContact CG1-OE2 3.4Å; I140-E171 PolarHBondContact N-OE2 3.43Å; I140-A172 HydrophobicContact CD1-CB 4.03Å
141E98.4Very high93.6Very high107 Ų10751.1 Ų51.150%0.531%0.311SS..Hα-helixtrans-49.5-50.3-175.2173.5173.6-171.400112.6S139 S143 L144 T145 E171 I175S139-E141 WeakPolarHBondContact OG-CB 3.41Å; S139-E141 PolarHBondContact OG-N 2.96Å; E141-S143 PolarHBondContact O-N 3.39Å; E141-L144 PolarHBondContact O-N 3.02Å; E141-T145 VanDerWaalsContact O-CB 3.31Å; E141-T145 WeakPolarHBondContact O-CB 3.11Å; E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.13Å; E141-E171 HydrophobicContact CB-CG 4.48Å; E141-E171 PolarHBondContact N-OE2 3.11Å; E141-I175 HydrophobicContact CB-CD1 3.94Å; E141-I175 HydrophobicContact CG-CD1 3.77Å
142A98.1Very high94.5Very high79 Ų7952.9 Ų52.965%0.65332%0.315SS*.Hα-helixtrans-61.1-42.3-177.100000112.7I140 V146I140-A142 VanDerWaalsContact C-N 3.35Å; I140-A142 PolarHBondContact O-N 3.41Å; A142-V146 WeakPolarHBondContact O-CG2 3.49Å
143S98.4Very high95.8Very high16 Ų1655.8 Ų55.811%0.11231%0.312CS..Hα-helixtrans-73-39.7178.8-61.60000112.1F99 I140 E141 V146 L147F99-S143 PolarHBondContact O-OG 2.9Å; I140-S143 PolarHBondContact O-N 3.04Å; I140-S143 VanDerWaalsContact O-N 3.14Å; E141-S143 PolarHBondContact O-N 3.39Å; S143-V146 PolarHBondContact O-N 2.79Å; S143-L147 PolarHBondContact O-N 2.88Å
144L98.6Very high97.1Very high0 Ų049.9 Ų49.90%029%0.294CS..Hα-helixtrans-70.7-36.8-179.5-167.172.8000111.9L125 I140 E141 V146 L147 A148 I159 L161 A172 I175 I178L125-L144 HydrophobicContact CB-CD1 4.5Å; L125-L144 HydrophobicContact CD2-CB 4.14Å; L125-L144 HydrophobicContact CD2-CD1 4.03Å; I140-L144 WeakPolarHBondContact O-CB 3.45Å; I140-L144 PolarHBondContact O-N 2.62Å; E141-L144 PolarHBondContact O-N 3.02Å; L144-V146 VanDerWaalsContact C-N 3.3Å; L144-V146 PolarHBondContact O-N 3.42Å; L144-L147 CarbonylContact O-C 3.51Å; L144-L147 PolarHBondContact O-N 3.44Å; L144-L147 VanDerWaalsContact O-N 3.08Å; L144-A148 PolarHBondContact O-N 3.28Å; L144-I159 HydrophobicContact CD1-CG2 3.83Å; L144-L161 HydrophobicContact CD1-CD2 3.97Å; L144-A172 HydrophobicContact CD2-CB 3.33Å; L144-I175 HydrophobicContact CB-CD1 4.43Å; L144-I175 HydrophobicContact CD2-CB 4.05Å; L144-I175 HydrophobicContact CD2-CD1 4.02Å; L144-I175 HydrophobicContact CD2-CG2 4.33Å; L144-I175 HydrophobicContact CG-CG2 4.43Å; L144-I178 HydrophobicContact CD2-CD1 4.48Å
145T98.7Very high97.7Very high47 Ų4750.5 Ų50.529%0.28829%0.293SS..Hα-helixtrans-58.2-42.7174.1-66.10000111.2E141 L147 A148 E149E141-T145 VanDerWaalsContact O-CB 3.31Å; E141-T145 WeakPolarHBondContact O-CB 3.11Å; E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.13Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.14Å; T145-A148 PolarHBondContact O-N 3.04Å; T145-E149 WeakPolarHBondContact O-CG 3.27Å; T145-E149 PolarHBondContact O-N 2.95Å
146V98.7Very high98Very high10 Ų1048 Ų486%0.06128%0.277CS..Hα-helixtrans-61.2-40.6174.5177.50000111.4P101 L104 Q105 A142 S143 L144 E149 M150P101-V146 HydrophobicContact CB-CG1 4.35Å; P101-V146 HydrophobicContact CB-CG2 3.82Å; P101-V146 HydrophobicContact CG-CG2 3.93Å; L104-V146 HydrophobicContact CB-CG1 4.15Å; L104-V146 HydrophobicContact CD1-CB 4.17Å; L104-V146 HydrophobicContact CD1-CG1 4.32Å; Q105-V146 HydrophobicContact CG-CG1 4.21Å; A142-V146 WeakPolarHBondContact O-CG2 3.49Å; S143-V146 PolarHBondContact O-N 2.79Å; L144-V146 VanDerWaalsContact C-N 3.3Å; L144-V146 PolarHBondContact O-N 3.42Å; V146-E149 PolarHBondContact O-N 3.41Å; V146-M150 HydrophobicContact CG1-CE 4.12Å; V146-M150 WeakPolarHBondContact O-CG 2.99Å; V146-M150 PolarHBondContact O-N 2.93Å; V146-M150 VanDerWaalsContact O-N 3.12Å
147L98.7Very high98.2Very high0 Ų051.1 Ų51.10%029%0.285CS..Hα-helixtrans-68.2-38.6176.3-177.555.7000112.5I85 V108 V123 L125 S143 L144 T145 E149 M150 Q151 V156 I159I85-L147 HydrophobicContact CD1-CD1 3.86Å; I85-L147 HydrophobicContact CD1-CD2 4.16Å; I85-L147 HydrophobicContact CD1-CG 4.4Å; V108-L147 HydrophobicContact CG2-CD1 4.41Å; V123-L147 HydrophobicContact CB-CD1 4.14Å; V123-L147 HydrophobicContact CB-CD2 4.43Å; V123-L147 HydrophobicContact CG1-CD1 3.86Å; V123-L147 HydrophobicContact CG1-CD2 4.01Å; L125-L147 HydrophobicContact CB-CD2 4.24Å; S143-L147 PolarHBondContact O-N 2.88Å; L144-L147 CarbonylContact O-C 3.51Å; L144-L147 PolarHBondContact O-N 3.44Å; L144-L147 VanDerWaalsContact O-N 3.08Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.14Å; L147-E149 VanDerWaalsContact C-N 3.35Å; L147-M150 HydrophobicContact CB-CE 4.3Å; L147-M150 HydrophobicContact CD1-CE 3.83Å; L147-M150 PolarHBondContact O-N 2.88Å; L147-Q151 PolarHBondContact O-N 3.34Å; L147-V156 HydrophobicContact CD1-CG2 4.04Å; L147-I159 HydrophobicContact CD2-CD1 4.42Å; L147-I159 HydrophobicContact CD2-CG1 4.17Å; L147-I159 HydrophobicContact CD2-CG2 3.78Å; L147-I159 HydrophobicContact CG-CD1 3.89Å; L147-I159 HydrophobicContact CG-CG1 4Å; L147-I159 HydrophobicContact CG-CG2 4.41Å
148A98.8Very high98.4Very high5 Ų546.7 Ų46.74%0.04127%0.265CS..Hα-helixtrans-63.9-38.7174.400000111.9L144 T145 M150 Q151 Q152 I159 I175 A176L144-A148 PolarHBondContact O-N 3.28Å; T145-A148 PolarHBondContact O-N 3.04Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 3.08Å; A148-Q151 WeakPolarHBondContact O-CB 3.32Å; A148-Q151 PolarHBondContact O-N 3.47Å; A148-Q152 WeakPolarHBondContact O-CG 3.44Å; A148-Q152 PolarHBondContact O-N 3.15Å; A148-I159 HydrophobicContact CB-CD1 4.35Å; A148-I175 HydrophobicContact CB-CG2 4.12Å; A148-A176 HydrophobicContact CB-CB 4.27Å
149E98.7Very high98.5Very high85 Ų8545.1 Ų45.140%0.39725%0.248SC..Hα-helixtrans-61.9-41172.1-72.3171.4179.300111.7T145 V146 L147 Q151 Q152 Q153T145-E149 WeakPolarHBondContact O-CG 3.27Å; T145-E149 PolarHBondContact O-N 2.95Å; V146-E149 PolarHBondContact O-N 3.41Å; L147-E149 VanDerWaalsContact C-N 3.35Å; E149-Q151 VanDerWaalsContact C-N 3.34Å; E149-Q152 PolarHBondContact O-N 3.42Å; E149-Q153 VanDerWaalsContact O-CG 3.24Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.37Å; E149-Q153 PolarHBondContact O-NE2 3.17Å
150M98.8Very high98.6Very high2 Ų241.8 Ų41.81%0.0123%0.225CC..Hα-helixtrans-68.3-31.2175.1-68.5-175.9-67.900112.9I85 L104 Q105 V108 V146 L147 A148 Q153 G154 L155I85-M150 HydrophobicContact CD1-CE 4.24Å; L104-M150 HydrophobicContact CB-CE 4.38Å; Q105-M150 HydrophobicContact CB-SD 4.32Å; Q105-M150 HydrophobicContact CG-SD 3.93Å; V108-M150 HydrophobicContact CB-CE 4.32Å; V108-M150 HydrophobicContact CB-SD 3.75Å; V108-M150 HydrophobicContact CG1-SD 4.15Å; V108-M150 HydrophobicContact CG2-CE 3.48Å; V108-M150 VanDerWaalsContact CG2-CE 3.48Å; V108-M150 HydrophobicContact CG2-SD 3.57Å; V108-M150 VanDerWaalsContact CG2-SD 3.57Å; V146-M150 HydrophobicContact CG1-CE 4.12Å; V146-M150 WeakPolarHBondContact O-CG 2.99Å; V146-M150 PolarHBondContact O-N 2.93Å; V146-M150 VanDerWaalsContact O-N 3.12Å; L147-M150 HydrophobicContact CB-CE 4.3Å; L147-M150 HydrophobicContact CD1-CE 3.83Å; L147-M150 PolarHBondContact O-N 2.88Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 3.08Å; M150-Q153 PolarHBondContact O-N 3.23Å; M150-G154 PolarHBondContact O-N 2.72Å; M150-L155 WeakPolarHBondContact O-CB 3.41Å; M150-L155 PolarHBondContact O-N 2.86Å
151Q98.7Very high98.7Very high47 Ų4741.7 Ų41.722%0.2222%0.224CC..Hα-helixtrans-64-45.7169.8-175.5-173.241.200110.8L147 A148 E149 Q153 G154 V156 K157 I159L147-Q151 PolarHBondContact O-N 3.34Å; A148-Q151 WeakPolarHBondContact O-CB 3.32Å; A148-Q151 PolarHBondContact O-N 3.47Å; E149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 2.75Å; Q151-G154 WeakPolarHBondContact O-CA 3.44Å; Q151-G154 PolarHBondContact O-N 2.86Å; Q151-V156 WeakPolarHBondContact CA-O 3.44Å; Q151-V156 HydrophobicContact CB-CB 4.39Å; Q151-V156 WeakPolarHBondContact CG-O 3.46Å; Q151-K157 PolarHBondContact NE2-O 3.21Å; Q151-I159 HydrophobicContact CB-CD1 4.1Å
152Q98.5Very high98.6Very high166 Ų16636.6 Ų36.678%0.77620%0.2SC*.Hα-helixtrans-63.8-32.1176.6-68.71721700113.1A148 E149 G154A148-Q152 WeakPolarHBondContact O-CG 3.44Å; A148-Q152 PolarHBondContact O-N 3.15Å; E149-Q152 PolarHBondContact O-N 3.42Å; Q152-G154 PolarHBondContact O-N 3.19Å
153Q98.4Very high98.6Very high125 Ų12533 Ų3358%0.58417%0.171SC*.THydrogen-bonded Turntrans-71.7-6.7172.7-69.1165.83300113.2E149 M150 Q151 L155E149-Q153 VanDerWaalsContact O-CG 3.24Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.37Å; E149-Q153 PolarHBondContact O-NE2 3.17Å; M150-Q153 PolarHBondContact O-N 3.23Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 2.75Å; Q153-L155 HydrophobicContact CB-CG 4.33Å
154G98.5Very high98.6Very high37 Ų3732.3 Ų32.338%0.38117%0.165SC..THydrogen-bonded Turntrans8017.2179.300000114.3V119 M150 Q151 Q152V119-G154 VanDerWaalsContact CG1-O 3.31Å; V119-G154 WeakPolarHBondContact CG1-O 3.42Å; V119-G154 WeakPolarHBondContact CG2-O 3.46Å; M150-G154 PolarHBondContact O-N 2.72Å; Q151-G154 WeakPolarHBondContact O-CA 3.44Å; Q151-G154 PolarHBondContact O-N 2.86Å; Q152-G154 PolarHBondContact O-N 3.19Å
155L98.8Very high98.5Very high31 Ų3132.9 Ų32.916%0.16217%0.169CC..SBendtrans-85.9-22.1177.4-59.9177.7000112.7V108 L112 L120 M150 Q153V108-L155 HydrophobicContact CG1-CB 4.09Å; V108-L155 HydrophobicContact CG1-CD1 4.43Å; L112-L155 HydrophobicContact CD1-CB 4.36Å; L112-L155 HydrophobicContact CD1-CD2 4.02Å; L120-L155 PolarHBondContact N-O 2.99Å; M150-L155 WeakPolarHBondContact O-CB 3.41Å; M150-L155 PolarHBondContact O-N 2.86Å; Q153-L155 HydrophobicContact CB-CG 4.33Å
156V98.9Very high98.5Very high3 Ų334.7 Ų34.72%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-133.2132.8-178.31780000108.1V108 V123 L147 Q151 H158 I159V108-V156 HydrophobicContact CG1-CG2 4.22Å; V108-V156 HydrophobicContact CG2-CG2 4.43Å; V123-V156 HydrophobicContact CB-CG1 3.91Å; V123-V156 HydrophobicContact CB-CG2 4.35Å; V123-V156 HydrophobicContact CG2-CB 4.33Å; V123-V156 HydrophobicContact CG2-CG1 3.73Å; V123-V156 HydrophobicContact CG2-CG2 3.67Å; L147-V156 HydrophobicContact CD1-CG2 4.04Å; Q151-V156 WeakPolarHBondContact CA-O 3.44Å; Q151-V156 HydrophobicContact CB-CB 4.39Å; Q151-V156 WeakPolarHBondContact CG-O 3.46Å; V156-H158 WeakPolarHBondContact CG1-O 3.47Å; V156-I159 HydrophobicContact CG1-CG1 4.42Å
157K98.7Very high98.5Very high93 Ų9338.3 Ų38.340%0.40420%0.204SC..EExtended strand (participates in β ladder)trans-81.7-50.5175.2-57.5179.3-170.5159.70111.2V119 L120 D121 Q151V119-K157 HydrophobicContact CG1-CD 4.47Å; V119-K157 HydrophobicContact CG1-CG 3.59Å; L120-K157 PolarHBondContact O-N 2.8Å; D121-K157 WeakPolarHBondContact O-CB 3.24Å; D121-K157 IonicContact OD1-NZ 3.83Å; D121-K157 PolarHBondContact OD1-NZ 3.29Å; Q151-K157 PolarHBondContact NE2-O 3.21Å
158H98.9Very high98.4Very high22 Ų2238.4 Ų38.410%0.10220%0.204CC..EExtended strand (participates in β ladder)trans-132.2151.7-173.6-61.1-65.3000112.7T10 D121 V122 V123 V156 V179T10-H158 PolarHBondContact N-NE2 3Å; T10-H158 PolarHBondContact OG1-NE2 2.98Å; D121-H158 WeakPolarHBondContact O-CB 3.41Å; D121-H158 PolarHBondContact O-N 2.99Å; V122-H158 WeakPolarHBondContact CA-O 3.32Å; V122-H158 HydrophobicContact CG1-CB 4.42Å; V122-H158 HydrophobicContact CG2-CB 4.15Å; V123-H158 PolarHBondContact N-O 2.87Å; V156-H158 WeakPolarHBondContact CG1-O 3.47Å; H158-V179 HydrophobicContact CB-CB 4.49Å; H158-V179 HydrophobicContact CB-CG1 3.94Å; H158-V179 HydrophobicContact CB-CG2 3.76Å
159I98.9Very high98.4Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-114.5134.4-178.5-62.7174.3000109.5L144 L147 A148 Q151 V156 A176 I178 V179L144-I159 HydrophobicContact CD1-CG2 3.83Å; L147-I159 HydrophobicContact CD2-CD1 4.42Å; L147-I159 HydrophobicContact CD2-CG1 4.17Å; L147-I159 HydrophobicContact CD2-CG2 3.78Å; L147-I159 HydrophobicContact CG-CD1 3.89Å; L147-I159 HydrophobicContact CG-CG1 4Å; L147-I159 HydrophobicContact CG-CG2 4.41Å; A148-I159 HydrophobicContact CB-CD1 4.35Å; Q151-I159 HydrophobicContact CB-CD1 4.1Å; V156-I159 HydrophobicContact CG1-CG1 4.42Å; I159-A176 HydrophobicContact CD1-CB 3.87Å; I159-I178 HydrophobicContact CB-CD1 4.45Å; I159-I178 HydrophobicContact CG2-CD1 3.89Å; I159-I178 WeakPolarHBondContact O-CA 3.42Å; I159-V179 WeakPolarHBondContact O-CG2 3.5Å; I159-V179 PolarHBondContact O-N 3.26Å
160G98.9Very high98.4Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-125.8180166.800000111.4V123 N124 L125 C180V123-G160 PolarHBondContact O-N 3.01Å; N124-G160 VanDerWaalsContact CA-O 3.3Å; N124-G160 WeakPolarHBondContact CA-O 3.29Å; N124-G160 WeakPolarHBondContact OD1-CA 3.16Å; L125-G160 PolarHBondContact N-O 3Å; G160-C180 CarbonylContact C-O 3.47Å; G160-C180 WeakPolarHBondContact CA-O 3.42Å
161L98.8Very high98.4Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-126.3150.1-179.2-59.8172.7000110N124 L125 I140 L144 V164 V169 A172 I178 C180 V181 Q182N124-L161 PolarHBondContact OD1-N 3Å; L125-L161 HydrophobicContact CB-CD2 4.37Å; I140-L161 HydrophobicContact CD1-CD2 4.01Å; L144-L161 HydrophobicContact CD1-CD2 3.97Å; L161-V164 HydrophobicContact CB-CB 4.44Å; L161-V164 HydrophobicContact CB-CG1 3.91Å; L161-V164 HydrophobicContact CB-CG2 3.72Å; L161-V164 HydrophobicContact CD1-CG1 4.45Å; L161-V164 HydrophobicContact CD1-CG2 4.2Å; L161-V169 HydrophobicContact CD1-CG2 4.13Å; L161-A172 HydrophobicContact CD1-CB 3.59Å; L161-A172 HydrophobicContact CD2-CB 4.1Å; L161-A172 HydrophobicContact CG-CB 4.37Å; L161-I178 HydrophobicContact CD1-CG1 4.46Å; L161-I178 HydrophobicContact CD1-CG2 4Å; L161-I178 HydrophobicContact CD2-CD1 4.48Å; L161-I178 HydrophobicContact CG-CD1 4.38Å; L161-I178 HydrophobicContact CG-CG2 3.98Å; L161-C180 PolarHBondContact N-O 3.36Å; L161-V181 CarbonylContact O-C 3.53Å; L161-V181 WeakPolarHBondContact O-CA 3.4Å; L161-Q182 PolarHBondContact O-N 3.32Å
162S98.1Very high98.4Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-137137.7170.21780000111.6L125 R126 V127 Q182L125-S162 PolarHBondContact O-N 2.84Å; R126-S162 VanDerWaalsContact CD-OG 3.28Å; R126-S162 WeakPolarHBondContact CD-OG 3.36Å; R126-S162 PolarHBondContact NH1-OG 3.44Å; V127-S162 PolarHBondContact N-O 3.03Å; S162-Q182 CarbonylContact C-O 3.51Å; S162-Q182 WeakPolarHBondContact CA-O 3.43Å; S162-Q182 PolarHBondContact OG-O 2.92Å; S162-Q182 VanDerWaalsContact OG-O 3.11Å
163N97.1Very high98.4Very high5 Ų534.4 Ų34.43%0.02719%0.189CC..SBendtrans63.751.8-179.5-155.958000113.8R126 V127 G134 Q182 N183R126-N163 VanDerWaalsContact CZ-CB 3.42Å; V127-N163 VanDerWaalsContact O-CB 3.3Å; V127-N163 WeakPolarHBondContact O-CB 3.48Å; V127-N163 PolarHBondContact O-ND2 3.4Å; G134-N163 PolarHBondContact O-ND2 2.96Å; N163-Q182 PolarHBondContact N-O 3.17Å; N163-N183 WeakPolarHBondContact CA-OD1 3.28Å; N163-N183 PolarHBondContact N-OD1 3.17Å
164V98Very high98.5Very high0 Ų036.9 Ų36.90%020%0.198CC..  trans-119151.7-171.3-72.30000113.3V127 L161 Q168 V169 V181 N183V127-V164 HydrophobicContact CB-CG1 4.06Å; V127-V164 HydrophobicContact CG2-CG1 3.55Å; L161-V164 HydrophobicContact CB-CB 4.44Å; L161-V164 HydrophobicContact CB-CG1 3.91Å; L161-V164 HydrophobicContact CB-CG2 3.72Å; L161-V164 HydrophobicContact CD1-CG1 4.45Å; L161-V164 HydrophobicContact CD1-CG2 4.2Å; V164-Q168 VanDerWaalsContact CA-OE1 3.26Å; V164-Q168 HydrophobicContact CB-CB 4.07Å; V164-Q168 HydrophobicContact CG1-CB 4.26Å; V164-V169 HydrophobicContact CB-CG2 4.44Å; V164-V169 HydrophobicContact CG2-CG2 3.73Å; V164-V181 HydrophobicContact CG2-CG1 3.66Å; V164-N183 PolarHBondContact N-OD1 3.03Å; V164-N183 PolarHBondContact O-ND2 3.11Å
165T97.7Very high98.5Very high12 Ų1237.5 Ų37.57%0.07419%0.192CC..  trans-84.2162.4171.970.20000111P135 E137 T167 Q168 V169P135-T165 HydrophobicContact CB-CG2 3.83Å; E137-T165 VanDerWaalsContact CD-OG1 3.29Å; E137-T165 HydrophobicContact CG-CG2 4.23Å; E137-T165 VanDerWaalsContact OE1-CB 3.27Å; E137-T165 WeakPolarHBondContact OE1-CB 3.45Å; E137-T165 WeakPolarHBondContact OE1-CG2 3.22Å; E137-T165 PolarHBondContact OE1-OG1 3.46Å; E137-T165 PolarHBondContact OE2-OG1 3.07Å; T165-T167 PolarHBondContact O-N 2.89Å; T165-T167 PolarHBondContact OG1-N 3.07Å; T165-Q168 PolarHBondContact O-N 3.03Å; T165-Q168 VanDerWaalsContact O-N 3.12Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.4Å; T165-Q168 PolarHBondContact OG1-N 2.95Å; T165-V169 WeakPolarHBondContact O-CG2 3.35Å; T165-V169 PolarHBondContact O-N 3.48Å
166P97.9Very high98.4Very high85 Ų8536.8 Ų36.855%0.55219%0.19SC*.Hα-helixtrans-55.7-35.4171.5-23.632000113V169 A170 M195P166-V169 PolarHBondContact O-N 3.22Å; P166-A170 PolarHBondContact O-N 2.87Å; P166-M195 HydrophobicContact CB-CE 4.1Å; P166-M195 VanDerWaalsContact CD-CE 3.42Å; P166-M195 HydrophobicContact CG-CE 3.5Å; P166-M195 VanDerWaalsContact N-CE 3.32Å
167T98.1Very high98.4Very high86 Ų8643.2 Ų43.253%0.52822%0.22SC..Hα-helixtrans-60.8-46176.1-48.20000111.3E137 T165 A170 E171E137-T167 PolarHBondContact OE1-OG1 2.91Å; E137-T167 WeakPolarHBondContact OE2-CB 3.45Å; T165-T167 PolarHBondContact O-N 2.89Å; T165-T167 PolarHBondContact OG1-N 3.07Å; T167-A170 PolarHBondContact O-N 2.94Å; T167-E171 PolarHBondContact O-N 3.12Å
168Q98.5Very high98.4Very high2 Ų239.1 Ų39.11%0.00920%0.203CC..Hα-helixtrans-68.4-37.2178-73.4166.1-19.700112.2A136 G138 I140 V164 T165 A170 E171 A172A136-Q168 PolarHBondContact O-NE2 3.48Å; G138-Q168 WeakPolarHBondContact O-CG 3.39Å; G138-Q168 PolarHBondContact O-NE2 3.11Å; I140-Q168 HydrophobicContact CD1-CB 3.97Å; I140-Q168 HydrophobicContact CG1-CB 4.23Å; I140-Q168 HydrophobicContact CG1-CG 4.32Å; I140-Q168 HydrophobicContact CG2-CG 4.04Å; V164-Q168 VanDerWaalsContact CA-OE1 3.26Å; V164-Q168 HydrophobicContact CB-CB 4.07Å; V164-Q168 HydrophobicContact CG1-CB 4.26Å; T165-Q168 PolarHBondContact O-N 3.03Å; T165-Q168 VanDerWaalsContact O-N 3.12Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.4Å; T165-Q168 PolarHBondContact OG1-N 2.95Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.67Å; Q168-E171 PolarHBondContact O-N 3.33Å; Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.39Å; Q168-A172 PolarHBondContact O-N 2.94Å
169V98.8Very high98.4Very high10 Ų1038.5 Ų38.56%0.06120%0.2CC..Hα-helixtrans-59.2-44.2171.9175.10000110.6L161 V164 T165 P166 A172 R173 V181 M195 L199L161-V169 HydrophobicContact CD1-CG2 4.13Å; V164-V169 HydrophobicContact CB-CG2 4.44Å; V164-V169 HydrophobicContact CG2-CG2 3.73Å; T165-V169 WeakPolarHBondContact O-CG2 3.35Å; T165-V169 PolarHBondContact O-N 3.48Å; P166-V169 PolarHBondContact O-N 3.22Å; V169-A172 PolarHBondContact O-N 3.39Å; V169-R173 VanDerWaalsContact O-CG 3.32Å; V169-R173 WeakPolarHBondContact O-CG 3.41Å; V169-R173 PolarHBondContact O-N 3.18Å; V169-R173 VanDerWaalsContact O-N 3.16Å; V169-V181 HydrophobicContact CG2-CG1 4.48Å; V169-V181 HydrophobicContact CG2-CG2 3.97Å; V169-M195 HydrophobicContact CG2-CE 4.34Å; V169-M195 HydrophobicContact CG2-SD 4.32Å; V169-L199 HydrophobicContact CG1-CD2 4.19Å
170A98.6Very high98.4Very high52 Ų5238.5 Ų38.543%0.4320%0.201SC..Hα-helixtrans-68.2-35.3177.800000113.4P166 T167 Q168P166-A170 PolarHBondContact O-N 2.87Å; T167-A170 PolarHBondContact O-N 2.94Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.67Å
171E98.7Very high98.4Very high41 Ų4138.5 Ų38.519%0.19220%0.201CC..Hα-helixtrans-64.4-47.5172.3-173.3-179.1-118.900110.8S139 I140 E141 T167 Q168 R173 K174S139-E171 WeakPolarHBondContact CA-OE2 3.5Å; S139-E171 WeakPolarHBondContact CB-OE1 3.49Å; S139-E171 VanDerWaalsContact OG-CD 3.31Å; S139-E171 PolarHBondContact OG-OE1 2.76Å; S139-E171 PolarHBondContact OG-OE2 3.32Å; I140-E171 WeakPolarHBondContact CG1-OE2 3.4Å; I140-E171 PolarHBondContact N-OE2 3.43Å; E141-E171 HydrophobicContact CB-CG 4.48Å; E141-E171 PolarHBondContact N-OE2 3.11Å; T167-E171 PolarHBondContact O-N 3.12Å; Q168-E171 PolarHBondContact O-N 3.33Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 3.48Å; E171-K174 WeakPolarHBondContact O-CB 3.49Å; E171-K174 PolarHBondContact O-N 3.49Å; E171-K174 VanDerWaalsContact O-N 3.09Å
172A98.8Very high98.4Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-60.1-41.4-177.200000113.6I140 L144 L161 Q168 V169 K174 I175 A176 I178I140-A172 HydrophobicContact CD1-CB 4.03Å; L144-A172 HydrophobicContact CD2-CB 3.33Å; L161-A172 HydrophobicContact CD1-CB 3.59Å; L161-A172 HydrophobicContact CD2-CB 4.1Å; L161-A172 HydrophobicContact CG-CB 4.37Å; Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.39Å; Q168-A172 PolarHBondContact O-N 2.94Å; V169-A172 PolarHBondContact O-N 3.39Å; A172-K174 PolarHBondContact O-N 3.38Å; A172-K174 VanDerWaalsContact O-N 3.15Å; A172-I175 PolarHBondContact O-N 3.19Å; A172-A176 PolarHBondContact O-N 3.42Å; A172-A176 VanDerWaalsContact O-N 3.08Å; A172-I178 HydrophobicContact CB-CD1 3.89Å; A172-I178 HydrophobicContact CB-CG1 3.89Å
173R98.6Very high98.4Very high119 Ų11938.6 Ų38.645%0.44920%0.201SC..THydrogen-bonded Turntrans-66.2-12.6179.3-71.2176.371.9-172.610.1114.1V169 E171 I175 I178 D202V169-R173 VanDerWaalsContact O-CG 3.32Å; V169-R173 WeakPolarHBondContact O-CG 3.41Å; V169-R173 PolarHBondContact O-N 3.18Å; V169-R173 VanDerWaalsContact O-N 3.16Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 3.48Å; R173-I175 VanDerWaalsContact C-N 3.33Å; R173-I178 HydrophobicContact CG-CB 4.2Å; R173-I178 HydrophobicContact CG-CG1 3.87Å; R173-D202 IonicContact CZ-OD2 3.05Å; R173-D202 VanDerWaalsContact CZ-OD2 3.23Å; R173-D202 IonicContact NH1-OD2 3.33Å; R173-D202 PolarHBondContact NH1-OD2 3.25Å; R173-D202 IonicContact NH2-OD2 2.78Å; R173-D202 PolarHBondContact NH2-OD2 3.3Å
174K98.6Very high98.3Very high176 Ų17641.6 Ų41.677%0.76522%0.215SC*.THydrogen-bonded Turntrans-80.9-17.5171.2-61.1170.4-1731720112.5E171 A172E171-K174 WeakPolarHBondContact O-CB 3.49Å; E171-K174 PolarHBondContact O-N 3.49Å; E171-K174 VanDerWaalsContact O-N 3.09Å; A172-K174 PolarHBondContact O-N 3.38Å; A172-K174 VanDerWaalsContact O-N 3.15Å
175I98.7Very high98.2Very high51 Ų5141.6 Ų41.626%0.26222%0.215SC..THydrogen-bonded Turntrans-106.7-42.9-170.7-60.5162.4000110.6E141 L144 A148 A172 R173E141-I175 HydrophobicContact CB-CD1 3.94Å; E141-I175 HydrophobicContact CG-CD1 3.77Å; L144-I175 HydrophobicContact CB-CD1 4.43Å; L144-I175 HydrophobicContact CD2-CB 4.05Å; L144-I175 HydrophobicContact CD2-CD1 4.02Å; L144-I175 HydrophobicContact CD2-CG2 4.33Å; L144-I175 HydrophobicContact CG-CG2 4.43Å; A148-I175 HydrophobicContact CB-CG2 4.12Å; A172-I175 PolarHBondContact O-N 3.19Å; R173-I175 VanDerWaalsContact C-N 3.33Å
176A98.4Very high98.1Very high15 Ų1541 Ų4112%0.12421%0.211CC..SBendtrans-148.2163.6-179.700000112.1A148 I159 A172 I178A148-A176 HydrophobicContact CB-CB 4.27Å; I159-A176 HydrophobicContact CD1-CB 3.87Å; A172-A176 PolarHBondContact O-N 3.42Å; A172-A176 VanDerWaalsContact O-N 3.08Å; A176-I178 PolarHBondContact O-N 3Å
177E98.5Very high97.9Very high138 Ų13837.1 Ų37.165%0.64519%0.186SC*.  trans-67.8123.7167-176-179.8-177.400109.7V179E177-V179 HydrophobicContact CG-CG1 4.39Å
178I98.8Very high97.6Very high7 Ų734.9 Ų34.94%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-104.5116.5179.6-54.3-55.5000108.8L144 I159 L161 A172 R173 A176L144-I178 HydrophobicContact CD2-CD1 4.48Å; I159-I178 HydrophobicContact CB-CD1 4.45Å; I159-I178 HydrophobicContact CG2-CD1 3.89Å; I159-I178 WeakPolarHBondContact O-CA 3.42Å; L161-I178 HydrophobicContact CD1-CG1 4.46Å; L161-I178 HydrophobicContact CD1-CG2 4Å; L161-I178 HydrophobicContact CD2-CD1 4.48Å; L161-I178 HydrophobicContact CG-CD1 4.38Å; L161-I178 HydrophobicContact CG-CG2 3.98Å; A172-I178 HydrophobicContact CB-CD1 3.89Å; A172-I178 HydrophobicContact CB-CG1 3.89Å; R173-I178 HydrophobicContact CG-CB 4.2Å; R173-I178 HydrophobicContact CG-CG1 3.87Å; A176-I178 PolarHBondContact O-N 3Å
179V98.7Very high97.4Very high9 Ų939.8 Ų39.86%0.05520%0.199CC..EExtended strand (participates in β ladder)trans-96.5-20.7-172.7-53.20000113.3L8 V122 H158 I159 E177 A205L8-V179 HydrophobicContact CD1-CG2 3.96Å; V122-V179 HydrophobicContact CG1-CG2 3.88Å; V122-V179 HydrophobicContact CG2-CG2 4.48Å; H158-V179 HydrophobicContact CB-CB 4.49Å; H158-V179 HydrophobicContact CB-CG1 3.94Å; H158-V179 HydrophobicContact CB-CG2 3.76Å; I159-V179 WeakPolarHBondContact O-CG2 3.5Å; I159-V179 PolarHBondContact O-N 3.26Å; E177-V179 HydrophobicContact CG-CG1 4.39Å; V179-A205 PolarHBondContact O-N 3.26Å
180C98.8Very high97.2Very high1 Ų141.3 Ų41.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-154.6159.3173.867.70000113.9L8 N124 G160 L161 A205 V207L8-C180 HydrophobicContact CD1-CB 3.7Å; N124-C180 PolarHBondContact OD1-SG 3.44Å; G160-C180 CarbonylContact C-O 3.47Å; G160-C180 WeakPolarHBondContact CA-O 3.42Å; L161-C180 PolarHBondContact N-O 3.36Å; C180-A205 CarbonylContact C-O 3.45Å; C180-A205 WeakPolarHBondContact CA-O 3.31Å; C180-A205 HydrophobicContact CB-CB 3.87Å; C180-A205 WeakPolarHBondContact CB-O 3.43Å; C180-V207 HydrophobicContact CB-CG2 4.16Å
181V98.9Very high96.9Very high0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-126.6131.6171.4176.60000109.2L161 V164 V169 M195 L199 A205 Y206 V207L161-V181 CarbonylContact O-C 3.53Å; L161-V181 WeakPolarHBondContact O-CA 3.4Å; V164-V181 HydrophobicContact CG2-CG1 3.66Å; V169-V181 HydrophobicContact CG2-CG1 4.48Å; V169-V181 HydrophobicContact CG2-CG2 3.97Å; V181-M195 HydrophobicContact CG1-SD 4.02Å; V181-L199 HydrophobicContact CB-CD1 3.84Å; V181-L199 HydrophobicContact CG1-CD1 4.46Å; V181-L199 HydrophobicContact CG2-CD1 3.84Å; V181-L199 HydrophobicContact CG2-CD2 4.2Å; V181-A205 PolarHBondContact N-O 2.87Å; V181-Y206 HydrophobicContact CB-CD2 4.48Å; V181-Y206 HydrophobicContact CG1-CE2 4.48Å; V181-Y206 CarbonylContact O-C 3.56Å; V181-Y206 WeakPolarHBondContact O-CA 3.44Å; V181-V207 PolarHBondContact O-N 3.07Å
182Q98.4Very high96.8Very high1 Ų142.9 Ų42.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-116.5107.2175.3-35.3-161.2-4.900112.9D54 N124 L161 S162 N163 V207D54-Q182 PolarHBondContact OD2-NE2 2.89Å; D54-Q182 PolarHBondContact OD2-OE1 3.43Å; N124-Q182 PolarHBondContact ND2-NE2 3.25Å; L161-Q182 PolarHBondContact O-N 3.32Å; S162-Q182 CarbonylContact C-O 3.51Å; S162-Q182 WeakPolarHBondContact CA-O 3.43Å; S162-Q182 PolarHBondContact OG-O 2.92Å; S162-Q182 VanDerWaalsContact OG-O 3.11Å; N163-Q182 PolarHBondContact N-O 3.17Å; Q182-V207 WeakPolarHBondContact CA-O 3.42Å; Q182-V207 HydrophobicContact CB-CB 4.24Å; Q182-V207 WeakPolarHBondContact CB-O 3.43Å; Q182-V207 HydrophobicContact CG-CB 3.81Å; Q182-V207 HydrophobicContact CG-CG1 4.38Å; Q182-V207 HydrophobicContact CG-CG2 4.28Å
183N97.4Very high96.8Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..  trans-125171.4176.2-83.72.3000111N163 V164 Y185 D192 Y206 P208 F209N163-N183 WeakPolarHBondContact CA-OD1 3.28Å; N163-N183 PolarHBondContact N-OD1 3.17Å; V164-N183 PolarHBondContact N-OD1 3.03Å; V164-N183 PolarHBondContact O-ND2 3.11Å; N183-Y185 PolarHBondContact O-N 2.83Å; N183-D192 WeakPolarHBondContact CB-OD2 3.21Å; N183-D192 PolarHBondContact ND2-OD2 2.73Å; N183-Y206 HydrophobicContact CB-CE2 4.2Å; N183-Y206 WeakPolarHBondContact CB-OH 3.48Å; N183-P208 WeakPolarHBondContact O-CA 3.47Å; N183-F209 VanDerWaalsContact C-CD1 3.41Å; N183-F209 VanDerWaalsContact CA-CE1 3.42Å; N183-F209 WeakPolarHBondContact O-CD1 3.34Å; N183-F209 PolarHBondContact O-N 3.14Å
184E95.3Very high96.7Very high68 Ų6842.9 Ų42.932%0.31824%0.24SC..BIsolated β-bridgetrans-72.7121.2172.4-167.4167.9166.500109H189 F209 F210E184-H189 IonicContact OE1-CD2 2.87Å; E184-H189 IonicContact OE1-CG 3.07Å; E184-F209 HydrophobicContact CB-CD2 4.06Å; E184-F209 HydrophobicContact CB-CE2 3.37Å; E184-F209 HydrophobicContact CB-CZ 3.67Å; E184-F209 HydrophobicContact CG-CD2 4.32Å; E184-F209 HydrophobicContact CG-CE2 3.91Å; E184-F209 VanDerWaalsContact N-CE1 3.3Å; E184-F210 HydrophobicContact CG-CD2 4.39Å
185Y96Very high96.7Very high0 Ų035.2 Ų35.20%021%0.207CC..  trans-156.5134.3173.9-175-89.4000110.2N183 H189 R190 D192 D193 I196 Y206 P208 W241 L242 R245N183-Y185 PolarHBondContact O-N 2.83Å; Y185-H189 WeakPolarHBondContact CA-O 3.47Å; Y185-H189 WeakPolarHBondContact CD2-O 3.47Å; Y185-R190 HydrophobicContact CE2-CB 4.08Å; Y185-R190 HydrophobicContact CE2-CG 4.03Å; Y185-D192 HydrophobicContact CD2-CB 4.11Å; Y185-D193 WeakPolarHBondContact CE2-OD1 3.12Å; Y185-D193 PolarHBondContact OH-OD1 3.49Å; Y185-I196 HydrophobicContact CD1-CD1 3.83Å; Y185-I196 HydrophobicContact CD2-CD1 3.57Å; Y185-I196 HydrophobicContact CE1-CD1 3.68Å; Y185-I196 HydrophobicContact CE2-CD1 3.39Å; Y185-I196 HydrophobicContact CG-CD1 3.78Å; Y185-I196 VanDerWaalsContact CZ-CD1 3.46Å; Y185-Y206 WeakPolarHBondContact CB-OH 3.49Å; Y185-Y206 HydrophobicContact CG-CE1 4.22Å; Y185-P208 VanDerWaalsContact O-CB 3.24Å; Y185-P208 WeakPolarHBondContact O-CB 3.37Å; Y185-W241 AromaticContact CE1-CH2 3.98Å; Y185-W241 HydrophobicContact CE1-CH2 3.98Å; Y185-W241 AromaticContact CE1-CZ3 3.9Å; Y185-W241 HydrophobicContact CE1-CZ3 3.9Å; Y185-W241 WeakPolarHBondContact OH-CH2 3.36Å; Y185-L242 HydrophobicContact CD1-CD2 3.61Å; Y185-L242 HydrophobicContact CE1-CD2 3.63Å; Y185-R245 HydrophobicContact CE1-CG 4.34Å; Y185-R245 PolarHBondContact OH-NE 3.45Å; Y185-R245 VanDerWaalsContact OH-NE 3.14Å
186N95.5Very high96.7Very high0 Ų032.8 Ų32.80%019%0.194CC..  trans-158.2-175174.25660000108.7A188 H189 R190 F210 P211N186-A188 PolarHBondContact O-N 2.89Å; N186-A188 VanDerWaalsContact O-N 3.11Å; N186-A188 PolarHBondContact OD1-N 2.86Å; N186-H189 PolarHBondContact N-O 2.78Å; N186-H189 CarbonylContact O-C 3.58Å; N186-H189 PolarHBondContact O-N 3.32Å; N186-H189 VanDerWaalsContact O-O 3.07Å; N186-H189 PolarHBondContact OD1-CD2 3.33Å; N186-H189 PolarHBondContact OD1-N 3.42Å; N186-R190 WeakPolarHBondContact O-CG 3.45Å; N186-F210 PolarHBondContact ND2-O 3.05Å; N186-F210 VanDerWaalsContact ND2-O 3.11Å; N186-P211 WeakPolarHBondContact CB-O 3.11Å
187I94.5Very high96.7Very high2 Ų236 Ų361%0.0121%0.209CC..SBendtrans-59.4-25.2-176.5-160.5165.3000113.9L218 L223 W241 L280 I283I187-L218 HydrophobicContact CG2-CD1 3.79Å; I187-L218 HydrophobicContact CG2-CD2 4.1Å; I187-L223 HydrophobicContact CD1-CD1 4.2Å; I187-W241 HydrophobicContact CB-CE3 4.04Å; I187-W241 HydrophobicContact CB-CZ3 4.21Å; I187-W241 HydrophobicContact CD1-CB 4.41Å; I187-W241 HydrophobicContact CD1-CD2 4.17Å; I187-W241 HydrophobicContact CD1-CE3 4.44Å; I187-W241 HydrophobicContact CD1-CG 4.12Å; I187-W241 HydrophobicContact CG1-CD2 4.03Å; I187-W241 HydrophobicContact CG1-CE3 4.03Å; I187-W241 HydrophobicContact CG1-CG 4.48Å; I187-W241 HydrophobicContact CG1-CZ3 4.38Å; I187-L280 HydrophobicContact CD1-CB 4.04Å; I187-L280 HydrophobicContact CD1-CD2 3.89Å; I187-L280 HydrophobicContact CD1-CG 4.38Å; I187-I283 HydrophobicContact CD1-CD1 3.66Å; I187-I283 HydrophobicContact CG1-CB 4.35Å; I187-I283 HydrophobicContact CG1-CD1 4.05Å; I187-I283 HydrophobicContact CG2-CG2 4.4Å
188A92.2Very high96.7Very high40 Ų4032 Ų3233%0.33120%0.2SC..SBendtrans-97.1-40.6176.700000112.3N186 R190 L218N186-A188 PolarHBondContact O-N 2.89Å; N186-A188 VanDerWaalsContact O-N 3.11Å; N186-A188 PolarHBondContact OD1-N 2.86Å; A188-R190 PolarHBondContact O-N 3.42Å; A188-L218 HydrophobicContact CB-CD2 4.04Å
189H92.5Very high96.7Very high104 Ų10431.9 Ų31.948%0.48120%0.2SC..  trans-94.197.1-179.9-68.2-81.9000111.3E184 Y185 N186E184-H189 IonicContact OE1-CD2 2.87Å; E184-H189 IonicContact OE1-CG 3.07Å; Y185-H189 WeakPolarHBondContact CA-O 3.47Å; Y185-H189 WeakPolarHBondContact CD2-O 3.47Å; N186-H189 PolarHBondContact N-O 2.78Å; N186-H189 CarbonylContact O-C 3.58Å; N186-H189 PolarHBondContact O-N 3.32Å; N186-H189 VanDerWaalsContact O-O 3.07Å; N186-H189 PolarHBondContact OD1-CD2 3.33Å; N186-H189 PolarHBondContact OD1-N 3.42Å
190R94.4Very high96.7Very high43 Ų4332.9 Ų32.916%0.16221%0.209CC..  trans-118.121.3-170.8-70.3-175.154.8167.34.5116.1Y185 N186 A188 D192 D193 W241 D281 S284Y185-R190 HydrophobicContact CE2-CB 4.08Å; Y185-R190 HydrophobicContact CE2-CG 4.03Å; N186-R190 WeakPolarHBondContact O-CG 3.45Å; A188-R190 PolarHBondContact O-N 3.42Å; R190-D192 PolarHBondContact O-N 2.91Å; R190-D192 VanDerWaalsContact O-N 3.12Å; R190-D193 IonicContact CZ-OD2 3.89Å; R190-D193 IonicContact NE-OD1 2.98Å; R190-D193 IonicContact NE-OD2 2.73Å; R190-D193 PolarHBondContact NE-OD2 2.88Å; R190-D193 IonicContact NH2-OD1 2.84Å; R190-D193 IonicContact NH2-OD2 3.2Å; R190-D193 PolarHBondContact NH2-OD2 2.6Å; R190-D193 PolarHBondContact O-N 2.93Å; R190-W241 HydrophobicContact CG-CH2 4.34Å; R190-D281 IonicContact CZ-OD1 3.03Å; R190-D281 PolarHBondContact NH1-O 3.18Å; R190-D281 IonicContact NH1-OD1 3.96Å; R190-D281 PolarHBondContact NH1-OD1 2.88Å; R190-D281 IonicContact NH2-OD1 3.84Å; R190-S284 WeakPolarHBondContact CD-OG 3.48Å
191A93.6Very high96.6Very high102 Ų10240.6 Ų40.684%0.84324%0.244SC*.THydrogen-bonded Turntrans-57.4-29.5-178.400000113.6D193A191-D193 PolarHBondContact O-N 3.48Å
192D96.7Very high96.6Very high24 Ų2443.8 Ų43.813%0.12826%0.261CS..THydrogen-bonded Turntrans-89.811.9-176.1-84.43.2000114.7N183 Y185 R190 A194 M195 I196 Y206N183-D192 WeakPolarHBondContact CB-OD2 3.21Å; N183-D192 PolarHBondContact ND2-OD2 2.73Å; Y185-D192 HydrophobicContact CD2-CB 4.11Å; R190-D192 PolarHBondContact O-N 2.91Å; R190-D192 VanDerWaalsContact O-N 3.12Å; D192-A194 VanDerWaalsContact C-N 3.28Å; D192-A194 PolarHBondContact O-N 2.84Å; D192-M195 HydrophobicContact CB-CB 4.32Å; D192-M195 WeakPolarHBondContact O-CA 3.3Å; D192-M195 PolarHBondContact O-N 3.3Å; D192-I196 WeakPolarHBondContact O-CG1 3.45Å; D192-I196 PolarHBondContact O-N 3.25Å; D192-Y206 HydrophobicContact CB-CE2 4.14Å; D192-Y206 VanDerWaalsContact CB-OH 3.28Å; D192-Y206 WeakPolarHBondContact CB-OH 3.44Å; D192-Y206 WeakPolarHBondContact OD2-CE2 3.29Å; D192-Y206 PolarHBondContact OD2-OH 2.76Å
193D97.7Very high96.5Very high41 Ų4146 Ų4622%0.21928%0.284CS..Hα-helixtrans-49.4-47.6-179-93.9-19.9000112.6Y185 R190 A191 I196 D197 R245Y185-D193 WeakPolarHBondContact CE2-OD1 3.12Å; Y185-D193 PolarHBondContact OH-OD1 3.49Å; R190-D193 IonicContact CZ-OD2 3.89Å; R190-D193 IonicContact NE-OD1 2.98Å; R190-D193 IonicContact NE-OD2 2.73Å; R190-D193 PolarHBondContact NE-OD2 2.88Å; R190-D193 IonicContact NH2-OD1 2.84Å; R190-D193 IonicContact NH2-OD2 3.2Å; R190-D193 PolarHBondContact NH2-OD2 2.6Å; R190-D193 PolarHBondContact O-N 2.93Å; A191-D193 PolarHBondContact O-N 3.48Å; D193-I196 PolarHBondContact O-N 3.34Å; D193-D197 VanDerWaalsContact O-CG 3.26Å; D193-D197 PolarHBondContact O-N 3.23Å; D193-R245 PolarHBondContact O-NH2 3.46Å; D193-R245 IonicContact OD1-CZ 3.74Å; D193-R245 IonicContact OD1-NE 2.84Å; D193-R245 PolarHBondContact OD1-NE 2.85Å; D193-R245 IonicContact OD1-NH2 3.89Å; D193-R245 PolarHBondContact OD1-NH2 2.91Å
194A98Very high96.6Very high77 Ų7746.5 Ų46.564%0.63629%0.287SS*.Hα-helixtrans-68.9-33.4178.300000113.4D192 A198D192-A194 VanDerWaalsContact C-N 3.28Å; D192-A194 PolarHBondContact O-N 2.84Å; A194-A198 WeakPolarHBondContact O-CB 3.4Å; A194-A198 PolarHBondContact O-N 3.16Å; A194-A198 VanDerWaalsContact O-N 3.11Å
195M98.2Very high96.8Very high15 Ų1543.3 Ų43.37%0.07427%0.272CS..Hα-helixtrans-69.7-43.1177.3-174.9-173.3-68.400110.5P166 V169 V181 D192 D197 A198 L199 Y206P166-M195 HydrophobicContact CB-CE 4.1Å; P166-M195 VanDerWaalsContact CD-CE 3.42Å; P166-M195 HydrophobicContact CG-CE 3.5Å; P166-M195 VanDerWaalsContact N-CE 3.32Å; V169-M195 HydrophobicContact CG2-CE 4.34Å; V169-M195 HydrophobicContact CG2-SD 4.32Å; V181-M195 HydrophobicContact CG1-SD 4.02Å; D192-M195 HydrophobicContact CB-CB 4.32Å; D192-M195 WeakPolarHBondContact O-CA 3.3Å; D192-M195 PolarHBondContact O-N 3.3Å; M195-D197 VanDerWaalsContact C-N 3.32Å; M195-D197 PolarHBondContact O-N 3.29Å; M195-A198 PolarHBondContact O-N 2.87Å; M195-L199 HydrophobicContact CG-CD1 3.76Å; M195-L199 HydrophobicContact CG-CG 4.17Å; M195-L199 WeakPolarHBondContact O-CB 3.37Å; M195-L199 VanDerWaalsContact O-CG 3.22Å; M195-L199 WeakPolarHBondContact O-CG 3.14Å; M195-L199 PolarHBondContact O-N 3.49Å; M195-L199 HydrophobicContact SD-CD1 4.21Å; M195-Y206 HydrophobicContact SD-CE2 4.29Å
196I98.6Very high96.9Very high0 Ų043.3 Ų43.30%027%0.272CS..Hα-helixtrans-57.2-48.1177.3-70.8167.8000110.3Y185 D192 D193 L199 A200 Y206 N248 I249Y185-I196 HydrophobicContact CD1-CD1 3.83Å; Y185-I196 HydrophobicContact CD2-CD1 3.57Å; Y185-I196 HydrophobicContact CE1-CD1 3.68Å; Y185-I196 HydrophobicContact CE2-CD1 3.39Å; Y185-I196 HydrophobicContact CG-CD1 3.78Å; Y185-I196 VanDerWaalsContact CZ-CD1 3.46Å; D192-I196 WeakPolarHBondContact O-CG1 3.45Å; D192-I196 PolarHBondContact O-N 3.25Å; D193-I196 PolarHBondContact O-N 3.34Å; I196-L199 PolarHBondContact O-N 3.38Å; I196-A200 WeakPolarHBondContact O-CB 3.31Å; I196-A200 PolarHBondContact O-N 2.88Å; I196-Y206 HydrophobicContact CD1-CD1 4.03Å; I196-Y206 HydrophobicContact CD1-CE1 3.87Å; I196-Y206 HydrophobicContact CD1-CE2 4.48Å; I196-Y206 HydrophobicContact CD1-CG 4.41Å; I196-Y206 HydrophobicContact CG1-CD1 3.79Å; I196-Y206 HydrophobicContact CG1-CD2 3.69Å; I196-Y206 HydrophobicContact CG1-CE1 3.92Å; I196-Y206 HydrophobicContact CG1-CE2 3.79Å; I196-Y206 HydrophobicContact CG1-CG 3.67Å; I196-N248 PolarHBondContact O-ND2 3.09Å; I196-I249 HydrophobicContact CD1-CD1 4.49Å; I196-I249 HydrophobicContact CG2-CD1 4.27Å; I196-I249 HydrophobicContact CG2-CG1 4.34Å
197D98.5Very high97.1Very high82 Ų8243.3 Ų43.344%0.43927%0.272SS..Hα-helixtrans-65.1-41.7-178.7-63.3-15.3000111.6D193 M195 A200 H201 R245D193-D197 VanDerWaalsContact O-CG 3.26Å; D193-D197 PolarHBondContact O-N 3.23Å; M195-D197 VanDerWaalsContact C-N 3.32Å; M195-D197 PolarHBondContact O-N 3.29Å; D197-A200 PolarHBondContact O-N 3.03Å; D197-H201 PolarHBondContact O-N 3.19Å; D197-R245 IonicContact OD1-CZ 3.06Å; D197-R245 IonicContact OD1-NH1 2.62Å; D197-R245 PolarHBondContact OD1-NH1 3.32Å; D197-R245 IonicContact OD1-NH2 2.69Å; D197-R245 PolarHBondContact OD1-NH2 2.95Å; D197-R245 IonicContact OD2-NH2 2.75Å
198A98.5Very high97.2Very high55 Ų5543.2 Ų43.246%0.45527%0.272SS..Hα-helixtrans-64.7-43.1176.200000112.4A194 M195 A200 H201 D202A194-A198 WeakPolarHBondContact O-CB 3.4Å; A194-A198 PolarHBondContact O-N 3.16Å; A194-A198 VanDerWaalsContact O-N 3.11Å; M195-A198 PolarHBondContact O-N 2.87Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.25Å; A198-H201 PolarHBondContact O-N 3.37Å; A198-D202 PolarHBondContact O-N 3.18Å
199L98.7Very high97.4Very high5 Ų542.5 Ų42.53%0.02626%0.261CS..Hα-helixtrans-66.9-34.9176-68.1172000111.7V169 V181 M195 I196 D202 G203 I204 Y206V169-L199 HydrophobicContact CG1-CD2 4.19Å; V181-L199 HydrophobicContact CB-CD1 3.84Å; V181-L199 HydrophobicContact CG1-CD1 4.46Å; V181-L199 HydrophobicContact CG2-CD1 3.84Å; V181-L199 HydrophobicContact CG2-CD2 4.2Å; M195-L199 HydrophobicContact CG-CD1 3.76Å; M195-L199 HydrophobicContact CG-CG 4.17Å; M195-L199 WeakPolarHBondContact O-CB 3.37Å; M195-L199 VanDerWaalsContact O-CG 3.22Å; M195-L199 WeakPolarHBondContact O-CG 3.14Å; M195-L199 PolarHBondContact O-N 3.49Å; M195-L199 HydrophobicContact SD-CD1 4.21Å; I196-L199 PolarHBondContact O-N 3.38Å; L199-D202 CarbonylContact O-C 3.51Å; L199-D202 PolarHBondContact O-N 3.42Å; L199-G203 PolarHBondContact O-N 3.41Å; L199-I204 HydrophobicContact CB-CB 4.18Å; L199-I204 HydrophobicContact CD2-CB 3.85Å; L199-I204 HydrophobicContact CD2-CD1 3.91Å; L199-I204 HydrophobicContact CD2-CG1 4.46Å; L199-I204 HydrophobicContact CD2-CG2 3.83Å; L199-I204 PolarHBondContact O-N 3.48Å; L199-Y206 HydrophobicContact CD1-CD2 3.8Å
200A98.1Very high97.4Very high29 Ų2940.1 Ų40.124%0.2425%0.249CC..Hα-helixtrans-64.1-43.8176.600000111.4I196 D197 A198 D202 G203 N248I196-A200 WeakPolarHBondContact O-CB 3.31Å; I196-A200 PolarHBondContact O-N 2.88Å; D197-A200 PolarHBondContact O-N 3.03Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.25Å; A200-D202 PolarHBondContact O-N 3.06Å; A200-G203 PolarHBondContact O-N 3.21Å; A200-N248 WeakPolarHBondContact CA-ND2 3.48Å; A200-N248 HydrophobicContact CB-CB 4.07Å; A200-N248 WeakPolarHBondContact CB-OD1 3.17Å; A200-N248 PolarHBondContact N-ND2 2.76Å; A200-N248 VanDerWaalsContact N-ND2 3.16Å
201H97.9Very high97.3Very high164 Ų16438.5 Ų38.576%0.75925%0.245SC*.Hα-helixtrans-57.6-38.6172.9173.8-83.7000111.8D197 A198 G203D197-H201 PolarHBondContact O-N 3.19Å; A198-H201 PolarHBondContact O-N 3.37Å; H201-G203 VanDerWaalsContact C-N 3.34Å
202D97.9Very high97.1Very high67 Ų6735.4 Ų35.436%0.35821%0.214SC..THydrogen-bonded Turntrans-86.5-0.3-177.3-72.12.2000114.1R173 A198 L199 A200 I204R173-D202 IonicContact CZ-OD2 3.05Å; R173-D202 VanDerWaalsContact CZ-OD2 3.23Å; R173-D202 IonicContact NH1-OD2 3.33Å; R173-D202 PolarHBondContact NH1-OD2 3.25Å; R173-D202 IonicContact NH2-OD2 2.78Å; R173-D202 PolarHBondContact NH2-OD2 3.3Å; A198-D202 PolarHBondContact O-N 3.18Å; L199-D202 CarbonylContact O-C 3.51Å; L199-D202 PolarHBondContact O-N 3.42Å; A200-D202 PolarHBondContact O-N 3.06Å; D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 HydrophobicContact CB-CD1 4.21Å; D202-I204 HydrophobicContact CB-CG1 4.3Å
203G97.4Very high96.5Very high47 Ų4734.8 Ų34.849%0.48521%0.212SC..THydrogen-bonded Turntrans72.222.4-179.400000114.6L199 A200 H201L199-G203 PolarHBondContact O-N 3.41Å; A200-G203 PolarHBondContact O-N 3.21Å; H201-G203 VanDerWaalsContact C-N 3.34Å
204I98.7Very high95.7Very high12 Ų1234.4 Ų34.46%0.06222%0.218CC..  trans-100133.2-179.6-59.6173.4000109.7L199 D202 N248L199-I204 HydrophobicContact CB-CB 4.18Å; L199-I204 HydrophobicContact CD2-CB 3.85Å; L199-I204 HydrophobicContact CD2-CD1 3.91Å; L199-I204 HydrophobicContact CD2-CG1 4.46Å; L199-I204 HydrophobicContact CD2-CG2 3.83Å; L199-I204 PolarHBondContact O-N 3.48Å; D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 HydrophobicContact CB-CD1 4.21Å; D202-I204 HydrophobicContact CB-CG1 4.3Å; I204-N248 WeakPolarHBondContact O-CB 3.44Å; I204-N248 PolarHBondContact O-ND2 2.56Å
205A98.7Very high94.4Very high0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-71.3142-179.500000111.8F6 L8 V179 C180 V181 N248 L250F6-A205 HydrophobicContact CD1-CB 3.82Å; F6-A205 HydrophobicContact CE1-CB 3.75Å; L8-A205 HydrophobicContact CD1-CB 4.32Å; V179-A205 PolarHBondContact O-N 3.26Å; C180-A205 CarbonylContact C-O 3.45Å; C180-A205 WeakPolarHBondContact CA-O 3.31Å; C180-A205 HydrophobicContact CB-CB 3.87Å; C180-A205 WeakPolarHBondContact CB-O 3.43Å; V181-A205 PolarHBondContact N-O 2.87Å; A205-N248 WeakPolarHBondContact CA-O 3.36Å; A205-L250 HydrophobicContact CB-CD1 3.66Å; A205-L250 HydrophobicContact CB-CG 4.11Å
206Y98.8Very high93.2Very high0 Ų042.2 Ų42.20%025%0.247CC..EExtended strand (participates in β ladder)trans-111.7125.9169-170.6-84.2000109.4V181 N183 Y185 D192 M195 I196 L199 P208 N248 I249 L250V181-Y206 HydrophobicContact CB-CD2 4.48Å; V181-Y206 HydrophobicContact CG1-CE2 4.48Å; V181-Y206 CarbonylContact O-C 3.56Å; V181-Y206 WeakPolarHBondContact O-CA 3.44Å; N183-Y206 HydrophobicContact CB-CE2 4.2Å; N183-Y206 WeakPolarHBondContact CB-OH 3.48Å; Y185-Y206 WeakPolarHBondContact CB-OH 3.49Å; Y185-Y206 HydrophobicContact CG-CE1 4.22Å; D192-Y206 HydrophobicContact CB-CE2 4.14Å; D192-Y206 VanDerWaalsContact CB-OH 3.28Å; D192-Y206 WeakPolarHBondContact CB-OH 3.44Å; D192-Y206 WeakPolarHBondContact OD2-CE2 3.29Å; D192-Y206 PolarHBondContact OD2-OH 2.76Å; M195-Y206 HydrophobicContact SD-CE2 4.29Å; I196-Y206 HydrophobicContact CD1-CD1 4.03Å; I196-Y206 HydrophobicContact CD1-CE1 3.87Å; I196-Y206 HydrophobicContact CD1-CE2 4.48Å; I196-Y206 HydrophobicContact CD1-CG 4.41Å; I196-Y206 HydrophobicContact CG1-CD1 3.79Å; I196-Y206 HydrophobicContact CG1-CD2 3.69Å; I196-Y206 HydrophobicContact CG1-CE1 3.92Å; I196-Y206 HydrophobicContact CG1-CE2 3.79Å; I196-Y206 HydrophobicContact CG1-CG 3.67Å; L199-Y206 HydrophobicContact CD1-CD2 3.8Å; Y206-P208 HydrophobicContact CE1-CB 4.29Å; Y206-N248 PolarHBondContact N-O 3.45Å; Y206-I249 VanDerWaalsContact O-CA 3.31Å; Y206-I249 WeakPolarHBondContact O-CA 3.48Å; Y206-L250 PolarHBondContact O-N 2.94Å
207V98.7Very high92.1Very high1 Ų146.5 Ų46.51%0.00628%0.275CS..  trans-118.595.5-174.4-169.80000108.8C180 V181 Q182 F209 L250 I252C180-V207 HydrophobicContact CB-CG2 4.16Å; V181-V207 PolarHBondContact O-N 3.07Å; Q182-V207 WeakPolarHBondContact CA-O 3.42Å; Q182-V207 HydrophobicContact CB-CB 4.24Å; Q182-V207 WeakPolarHBondContact CB-O 3.43Å; Q182-V207 HydrophobicContact CG-CB 3.81Å; Q182-V207 HydrophobicContact CG-CG1 4.38Å; Q182-V207 HydrophobicContact CG-CG2 4.28Å; V207-F209 PolarHBondContact O-N 3.18Å; V207-L250 WeakPolarHBondContact CA-O 3.44Å; V207-L250 WeakPolarHBondContact CG1-O 3.45Å; V207-L250 HydrophobicContact CG2-CB 4.22Å; V207-I252 HydrophobicContact CG1-CD1 3.65Å; V207-I252 HydrophobicContact CG1-CG1 3.78Å; V207-I252 HydrophobicContact CG1-CG2 4Å
208P97.9Very high91.3Very high0 Ų044.6 Ų44.60%026%0.264CS..  trans-66.4123.6-18026.2-32.8000110.4N183 Y185 Y206 P211 I249 L250 L251N183-P208 WeakPolarHBondContact O-CA 3.47Å; Y185-P208 VanDerWaalsContact O-CB 3.24Å; Y185-P208 WeakPolarHBondContact O-CB 3.37Å; Y206-P208 HydrophobicContact CE1-CB 4.29Å; P208-P211 HydrophobicContact CG-CB 4.45Å; P208-I249 HydrophobicContact CG-CG2 4.23Å; P208-L250 WeakPolarHBondContact CD-O 3.48Å; P208-L251 HydrophobicContact CG-CD2 3.44Å; P208-L251 VanDerWaalsContact CG-CD2 3.44Å
209F95.1Very high90.4Very high24 Ų2450.7 Ų50.711%0.10528%0.284CS..BIsolated β-bridgetrans-84151.3159.866.3-109.4000109.5N183 E184 V207N183-F209 VanDerWaalsContact C-CD1 3.41Å; N183-F209 VanDerWaalsContact CA-CE1 3.42Å; N183-F209 WeakPolarHBondContact O-CD1 3.34Å; N183-F209 PolarHBondContact O-N 3.14Å; E184-F209 HydrophobicContact CB-CD2 4.06Å; E184-F209 HydrophobicContact CB-CE2 3.37Å; E184-F209 HydrophobicContact CB-CZ 3.67Å; E184-F209 HydrophobicContact CG-CD2 4.32Å; E184-F209 HydrophobicContact CG-CE2 3.91Å; E184-F209 VanDerWaalsContact N-CE1 3.3Å; V207-F209 PolarHBondContact O-N 3.18Å
210F92.9Very high89.9Confident54 Ų5451.1 Ų51.124%0.23729%0.287CS..SBendtrans54.148-172.1-49.3-34.3000114.9M21 E184 N186 L212 G213 F215M21-F210 HydrophobicContact CE-CE1 3.91Å; M21-F210 HydrophobicContact SD-CE1 4.19Å; E184-F210 HydrophobicContact CG-CD2 4.39Å; N186-F210 PolarHBondContact ND2-O 3.05Å; N186-F210 VanDerWaalsContact ND2-O 3.11Å; F210-L212 PolarHBondContact O-N 2.78Å; F210-G213 PolarHBondContact O-N 3.23Å; F210-F215 HydrophobicContact CE1-CE2 4.27Å; F210-F215 HydrophobicContact CZ-CD2 4.5Å; F210-F215 HydrophobicContact CZ-CE2 4.06Å
211P93.3Very high89.6Confident10 Ų1053.7 Ų53.77%0.06530%0.303CS..THydrogen-bonded Turntrans-61.5-17.6179.527.6-36000113.5N186 P208 L239 L242N186-P211 WeakPolarHBondContact CB-O 3.11Å; P208-P211 HydrophobicContact CG-CB 4.45Å; P211-L239 HydrophobicContact CB-CD2 4.22Å; P211-L239 HydrophobicContact CG-CD2 4.43Å; P211-L242 HydrophobicContact CB-CD1 3.52Å
212L89.9Confident89.4Confident37 Ų3747.3 Ų47.319%0.19428%0.276CS..THydrogen-bonded Turntrans-114.318.9179.5-61.5177.9000113.2F210 M235 A238 L239 P253F210-L212 PolarHBondContact O-N 2.78Å; L212-M235 HydrophobicContact CD1-CB 4.24Å; L212-M235 HydrophobicContact CD1-CG 4.23Å; L212-M235 HydrophobicContact CD1-SD 4.12Å; L212-M235 HydrophobicContact CD2-CB 3.99Å; L212-M235 HydrophobicContact CD2-CG 4.22Å; L212-A238 HydrophobicContact CD2-CB 4.04Å; L212-L239 HydrophobicContact CD2-CD2 4.04Å; L212-L239 HydrophobicContact CD2-CG 3.96Å; L212-L239 HydrophobicContact CG-CD2 4.23Å; L212-P253 HydrophobicContact CD1-CB 4.47Å
213G83.6Confident89.3Confident10 Ų1044.3 Ų44.310%0.10326%0.26CS..  trans91.5-5.3178.900000115.5F210 F215 T216F210-G213 PolarHBondContact O-N 3.23Å; G213-F215 PolarHBondContact O-N 2.74Å; G213-T216 CarbonylContact C-O 3.54Å; G213-T216 VanDerWaalsContact C-O 3.29Å; G213-T216 VanDerWaalsContact CA-O 3.29Å; G213-T216 WeakPolarHBondContact CA-O 3.43Å; G213-T216 CarbonylContact O-C 3.55Å; G213-T216 PolarHBondContact O-N 3.13Å
214G81.2Confident89.2Confident33 Ų3344.9 Ų44.934%0.3426%0.256SS..THydrogen-bonded Turntrans65.5-111172.900000112.2
215F70.1Confident89Confident146 Ų14649.5 Ų49.564%0.6428%0.281SS*.THydrogen-bonded Turntrans-88.5-14.5178.3-58-72.3000113.5M21 V28 F210 G213M21-F215 HydrophobicContact CE-CZ 4.46Å; V28-F215 HydrophobicContact CG2-CE1 4.48Å; V28-F215 HydrophobicContact CG2-CZ 4.09Å; F210-F215 HydrophobicContact CE1-CE2 4.27Å; F210-F215 HydrophobicContact CZ-CD2 4.5Å; F210-F215 HydrophobicContact CZ-CE2 4.06Å; G213-F215 PolarHBondContact O-N 2.74Å
216T73.2Confident89Confident111 Ų11150.1 Ų50.168%0.68129%0.285SS*.SBendtrans-116.597.3176.5-54.80000107.7G213G213-T216 CarbonylContact C-O 3.54Å; G213-T216 VanDerWaalsContact C-O 3.29Å; G213-T216 VanDerWaalsContact CA-O 3.29Å; G213-T216 WeakPolarHBondContact CA-O 3.43Å; G213-T216 CarbonylContact O-C 3.55Å; G213-T216 PolarHBondContact O-N 3.13Å
217P75.1Confident88.8Confident89 Ų8950.2 Ų50.258%0.57829%0.285SS*.  trans-54.2144.2-177.6-25.534000111.9Q219P217-Q219 PolarHBondContact O-N 3.03Å; P217-Q219 VanDerWaalsContact O-N 3.17Å
218L80.7Confident88.7Confident42 Ų4253.9 Ų53.922%0.2232%0.316CS..  trans-59.6119.2173.5-64170.3000109.7I187 A188 L223 A238I187-L218 HydrophobicContact CG2-CD1 3.79Å; I187-L218 HydrophobicContact CG2-CD2 4.1Å; A188-L218 HydrophobicContact CB-CD2 4.04Å; L218-L223 HydrophobicContact CB-CD2 4.34Å; L218-L223 HydrophobicContact CD1-CD2 4.42Å; L218-A238 HydrophobicContact CD1-CB 4.13Å
219Q80.3Confident88.7Confident184 Ų18458.1 Ų58.186%0.8635%0.346SS*.  trans-114.1100.1176.7-69.8-178.9-11.800108.8P217P217-Q219 PolarHBondContact O-N 3.03Å; P217-Q219 VanDerWaalsContact O-N 3.17Å
220S88.4Confident88.8Confident14 Ų1460 Ų6010%0.09836%0.356CS..  trans-145.6126.7174.71730000109.5T222 L223 S224 E286S220-T222 VanDerWaalsContact C-N 3.28Å; S220-T222 WeakPolarHBondContact OG-CB 3.38Å; S220-T222 PolarHBondContact OG-N 2.99Å; S220-L223 PolarHBondContact O-N 3.12Å; S220-L223 PolarHBondContact OG-N 3.3Å; S220-S224 PolarHBondContact O-N 3.46Å; S220-S224 PolarHBondContact O-OG 3.15Å; S220-E286 PolarHBondContact OG-OE2 3.41Å
221S91.6Very high88.9Confident83 Ų8361 Ų6158%0.5838%0.382SS*.Hα-helixtrans-63-40.9171.148.50000110.2L223 S224 D225S221-L223 VanDerWaalsContact C-N 3.35Å; S221-L223 PolarHBondContact O-N 2.84Å; S221-S224 WeakPolarHBondContact O-CA 3.45Å; S221-S224 WeakPolarHBondContact O-CB 3.42Å; S221-S224 PolarHBondContact O-N 2.84Å; S221-D225 WeakPolarHBondContact O-CB 3.48Å; S221-D225 VanDerWaalsContact O-CG 3.25Å; S221-D225 PolarHBondContact O-N 2.73Å
222T94Very high89Confident29 Ų2961.5 Ų61.518%0.17839%0.387CS..Hα-helixtrans-54.9-48.4176.5-54.10000111.5S220 S224 D225 V226 T279 I283 E286S220-T222 VanDerWaalsContact C-N 3.28Å; S220-T222 WeakPolarHBondContact OG-CB 3.38Å; S220-T222 PolarHBondContact OG-N 2.99Å; T222-S224 VanDerWaalsContact C-N 3.31Å; T222-S224 PolarHBondContact O-N 3.43Å; T222-D225 PolarHBondContact O-N 2.82Å; T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.42Å; T222-T279 HydrophobicContact CG2-CG2 3.67Å; T222-I283 HydrophobicContact CG2-CD1 4.25Å; T222-I283 HydrophobicContact CG2-CG1 4.01Å; T222-E286 PolarHBondContact OG1-OE1 3.28Å
223L94.9Very high89.3Confident5 Ų561.7 Ų61.73%0.02639%0.39CS..Hα-helixtrans-61.9-39.9176.6-177.860.9000112.3I187 L218 S220 S221 A227 P234 V237 A238 L280 I283I187-L223 HydrophobicContact CD1-CD1 4.2Å; L218-L223 HydrophobicContact CB-CD2 4.34Å; L218-L223 HydrophobicContact CD1-CD2 4.42Å; S220-L223 PolarHBondContact O-N 3.12Å; S220-L223 PolarHBondContact OG-N 3.3Å; S221-L223 VanDerWaalsContact C-N 3.35Å; S221-L223 PolarHBondContact O-N 2.84Å; L223-A227 VanDerWaalsContact O-CB 3.31Å; L223-A227 WeakPolarHBondContact O-CB 3.45Å; L223-A227 PolarHBondContact O-N 2.98Å; L223-P234 HydrophobicContact CD2-CB 4.1Å; L223-P234 HydrophobicContact CG-CB 4.03Å; L223-V237 HydrophobicContact CD1-CB 3.89Å; L223-V237 HydrophobicContact CD1-CG1 3.65Å; L223-A238 HydrophobicContact CD1-CB 4.47Å; L223-A238 HydrophobicContact CD2-CB 4.38Å; L223-L280 HydrophobicContact CD1-CD2 3.96Å; L223-I283 HydrophobicContact CB-CD1 3.96Å
224S95Very high89.8Confident58 Ų5863.8 Ų63.841%0.40640%0.401SS..Hα-helixtrans-68.9-42.1-179-56.90000112S220 S221 T222 A227 A228S220-S224 PolarHBondContact O-N 3.46Å; S220-S224 PolarHBondContact O-OG 3.15Å; S221-S224 WeakPolarHBondContact O-CA 3.45Å; S221-S224 WeakPolarHBondContact O-CB 3.42Å; S221-S224 PolarHBondContact O-N 2.84Å; T222-S224 VanDerWaalsContact C-N 3.31Å; T222-S224 PolarHBondContact O-N 3.43Å; S224-A227 PolarHBondContact O-N 3.01Å; S224-A228 WeakPolarHBondContact O-CB 3.38Å; S224-A228 PolarHBondContact O-N 3.49Å
225D96.3Very high90.4Very high110 Ų11066.7 Ų66.759%0.58841%0.408SS*.Hα-helixtrans-66.7-44179.6-68.2-20.9000111S221 T222 A228 S229S221-D225 WeakPolarHBondContact O-CB 3.48Å; S221-D225 VanDerWaalsContact O-CG 3.25Å; S221-D225 PolarHBondContact O-N 2.73Å; T222-D225 PolarHBondContact O-N 2.82Å; D225-A228 PolarHBondContact O-N 3.22Å; D225-S229 PolarHBondContact O-N 2.96Å
226V96.8Very high91.6Very high13 Ų1361.2 Ų61.28%0.07938%0.384CS..Hα-helixtrans-59.4-48.4173.2170.10000110.5T222 A228 S229 L230 V237 V276 T279 L280T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.42Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 2.95Å; V226-S229 PolarHBondContact O-N 3.35Å; V226-S229 PolarHBondContact O-OG 3.05Å; V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 HydrophobicContact CG1-CG 4.48Å; V226-L230 WeakPolarHBondContact O-CG 3.5Å; V226-L230 PolarHBondContact O-N 3.37Å; V226-L230 VanDerWaalsContact O-N 3.1Å; V226-V237 HydrophobicContact CG1-CG1 3.83Å; V226-V237 HydrophobicContact CG1-CG2 4.48Å; V226-V276 HydrophobicContact CG1-CG1 3.56Å; V226-T279 HydrophobicContact CG2-CG2 4.16Å; V226-L280 HydrophobicContact CB-CD2 4.21Å; V226-L280 HydrophobicContact CG1-CD1 4.36Å; V226-L280 HydrophobicContact CG1-CD2 4.17Å; V226-L280 HydrophobicContact CG1-CG 4.42Å; V226-L280 HydrophobicContact CG2-CD2 4.09Å; V226-L280 HydrophobicContact CG2-CG 4.5Å
227A96.4Very high92.7Very high1 Ų156 Ų561%0.00835%0.352CS..Hα-helixtrans-57.7-45.5178.200000112.6L223 S224 S229 L230 G231 A232 P234 V237L223-A227 VanDerWaalsContact O-CB 3.31Å; L223-A227 WeakPolarHBondContact O-CB 3.45Å; L223-A227 PolarHBondContact O-N 2.98Å; S224-A227 PolarHBondContact O-N 3.01Å; A227-S229 PolarHBondContact O-N 3.17Å; A227-L230 PolarHBondContact O-N 2.89Å; A227-G231 PolarHBondContact O-N 3.28Å; A227-G231 VanDerWaalsContact O-N 3.08Å; A227-A232 CarbonylContact C-O 3.46Å; A227-A232 WeakPolarHBondContact CB-O 3.49Å; A227-A232 PolarHBondContact O-N 3.29Å; A227-A232 VanDerWaalsContact O-O 3.1Å; A227-P234 HydrophobicContact CB-CB 4.48Å; A227-P234 HydrophobicContact CB-CG 4.05Å; A227-V237 HydrophobicContact CB-CG2 3.73Å
228A96.6Very high93.8Very high78 Ų7851.7 Ų51.765%0.64532%0.324SS*.Hα-helixtrans-60.2-44.7176.300000112S224 D225 V226 L230 G231S224-A228 WeakPolarHBondContact O-CB 3.38Å; S224-A228 PolarHBondContact O-N 3.49Å; D225-A228 PolarHBondContact O-N 3.22Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 2.95Å; A228-L230 PolarHBondContact O-N 3.01Å; A228-G231 PolarHBondContact O-N 3.01Å; A228-G231 VanDerWaalsContact O-N 3.17Å
229S96.9Very high94.5Very high90 Ų9049.7 Ų49.763%0.62931%0.314SS*.Hα-helixtrans-62.9-27.8178.275.80000113.9D225 V226 A227D225-S229 PolarHBondContact O-N 2.96Å; V226-S229 PolarHBondContact O-N 3.35Å; V226-S229 PolarHBondContact O-OG 3.05Å; A227-S229 PolarHBondContact O-N 3.17Å
230L96.5Very high95.3Very high63 Ų6341 Ų4133%0.3327%0.273SS..Hα-helixtrans-93.5-5.2179.5-64.8175.6000113V226 A227 A228 A232 V237 L270 L272 V276V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 HydrophobicContact CG1-CG 4.48Å; V226-L230 WeakPolarHBondContact O-CG 3.5Å; V226-L230 PolarHBondContact O-N 3.37Å; V226-L230 VanDerWaalsContact O-N 3.1Å; A227-L230 PolarHBondContact O-N 2.89Å; A228-L230 PolarHBondContact O-N 3.01Å; L230-A232 HydrophobicContact CB-CB 4.32Å; L230-A232 PolarHBondContact O-N 3.38Å; L230-V237 HydrophobicContact CD1-CG2 4.2Å; L230-L270 HydrophobicContact CD1-CD1 4.39Å; L230-L270 HydrophobicContact CD1-CD2 4.36Å; L230-L272 HydrophobicContact CD1-CD2 3.52Å; L230-V276 HydrophobicContact CD1-CG1 4.4Å
231G95.9Very high95.8Very high76 Ų7640.4 Ų40.478%0.78427%0.269SS*.THydrogen-bonded Turntrans62.330.7-172.600000113A227 A228A227-G231 PolarHBondContact O-N 3.28Å; A227-G231 VanDerWaalsContact O-N 3.08Å; A228-G231 PolarHBondContact O-N 3.01Å; A228-G231 VanDerWaalsContact O-N 3.17Å
232A96.4Very high96Very high20 Ų2036.5 Ų36.517%0.16524%0.241CC..SBendtrans-118.3170.5-179.200000110.8A227 L230 Q236 V237 L270A227-A232 CarbonylContact C-O 3.46Å; A227-A232 WeakPolarHBondContact CB-O 3.49Å; A227-A232 PolarHBondContact O-N 3.29Å; A227-A232 VanDerWaalsContact O-O 3.1Å; L230-A232 HydrophobicContact CB-CB 4.32Å; L230-A232 PolarHBondContact O-N 3.38Å; A232-Q236 HydrophobicContact CB-CB 4.33Å; A232-V237 HydrophobicContact CB-CG2 4.2Å; A232-L270 HydrophobicContact CB-CD2 4.04Å
233T94.6Very high96.2Very high40 Ų4035.9 Ų35.925%0.24524%0.237CC..  trans-85.8154.7171.576.50000111.4M235 Q236 V237 E263T233-M235 PolarHBondContact O-N 3.05Å; T233-Q236 WeakPolarHBondContact O-CB 3.3Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 VanDerWaalsContact O-N 3.07Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.48Å; T233-Q236 PolarHBondContact OG1-N 2.9Å; T233-V237 PolarHBondContact O-N 3.23Å; T233-E263 VanDerWaalsContact CB-OE1 3.25Å; T233-E263 WeakPolarHBondContact CB-OE1 3.44Å; T233-E263 HydrophobicContact CG2-CG 4.19Å; T233-E263 VanDerWaalsContact CG2-OE1 3.25Å; T233-E263 WeakPolarHBondContact CG2-OE1 3.5Å; T233-E263 PolarHBondContact OG1-OE1 3.23Å
234P94.4Very high96.3Very high54 Ų5438 Ų3835%0.35125%0.246SC..Hα-helixtrans-53.6-36.1173.9-29.837.4000113.4L223 A227 V237 A238L223-P234 HydrophobicContact CD2-CB 4.1Å; L223-P234 HydrophobicContact CG-CB 4.03Å; A227-P234 HydrophobicContact CB-CB 4.48Å; A227-P234 HydrophobicContact CB-CG 4.05Å; P234-V237 PolarHBondContact O-N 3.47Å; P234-A238 WeakPolarHBondContact O-CB 3.23Å; P234-A238 PolarHBondContact O-N 3.08Å
235M93.6Very high96.3Very high95 Ų9537.3 Ų37.347%0.46824%0.235SC..Hα-helixtrans-67.2-42.5177.4-63.3-175.1-172.900111.6L212 T233 V237 A238 L239L212-M235 HydrophobicContact CD1-CB 4.24Å; L212-M235 HydrophobicContact CD1-CG 4.23Å; L212-M235 HydrophobicContact CD1-SD 4.12Å; L212-M235 HydrophobicContact CD2-CB 3.99Å; L212-M235 HydrophobicContact CD2-CG 4.22Å; T233-M235 PolarHBondContact O-N 3.05Å; M235-V237 VanDerWaalsContact C-N 3.35Å; M235-V237 PolarHBondContact O-N 2.61Å; M235-A238 PolarHBondContact O-N 2.72Å; M235-L239 VanDerWaalsContact O-CG 3.31Å; M235-L239 WeakPolarHBondContact O-CG 3.49Å; M235-L239 PolarHBondContact O-N 2.8Å
236Q96Very high96.4Very high31 Ų3132.4 Ų32.415%0.14521%0.209CC..Hα-helixtrans-61.3-43.6175.6-72.8175.3-39.100111.9A232 T233 L239 A240 E263 A267A232-Q236 HydrophobicContact CB-CB 4.33Å; T233-Q236 WeakPolarHBondContact O-CB 3.3Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 VanDerWaalsContact O-N 3.07Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.48Å; T233-Q236 PolarHBondContact OG1-N 2.9Å; Q236-L239 PolarHBondContact O-N 3.31Å; Q236-A240 WeakPolarHBondContact O-CB 3.38Å; Q236-A240 PolarHBondContact O-N 2.92Å; Q236-E263 HydrophobicContact CG-CG 3.93Å; Q236-E263 WeakPolarHBondContact CG-O 3.47Å; Q236-E263 PolarHBondContact NE2-O 3.19Å; Q236-E263 VanDerWaalsContact NE2-O 3.08Å; Q236-A267 HydrophobicContact CB-CB 4.36Å
237V96.9Very high96.4Very high0 Ų035.3 Ų35.30%023%0.228CC..Hα-helixtrans-63.3-44.5176.9177.20000111.3L223 V226 A227 L230 A232 T233 P234 M235 L239 A240 W241 L270 L280L223-V237 HydrophobicContact CD1-CB 3.89Å; L223-V237 HydrophobicContact CD1-CG1 3.65Å; V226-V237 HydrophobicContact CG1-CG1 3.83Å; V226-V237 HydrophobicContact CG1-CG2 4.48Å; A227-V237 HydrophobicContact CB-CG2 3.73Å; L230-V237 HydrophobicContact CD1-CG2 4.2Å; A232-V237 HydrophobicContact CB-CG2 4.2Å; T233-V237 PolarHBondContact O-N 3.23Å; P234-V237 PolarHBondContact O-N 3.47Å; M235-V237 VanDerWaalsContact C-N 3.35Å; M235-V237 PolarHBondContact O-N 2.61Å; V237-L239 PolarHBondContact O-N 3.45Å; V237-A240 PolarHBondContact O-N 2.82Å; V237-W241 WeakPolarHBondContact O-CB 3.28Å; V237-W241 PolarHBondContact O-N 3.04Å; V237-L270 HydrophobicContact CG2-CD2 3.95Å; V237-L280 HydrophobicContact CG1-CD1 3.62Å; V237-L280 HydrophobicContact CG1-CD2 3.98Å; V237-L280 HydrophobicContact CG1-CG 4.46Å
238A96.6Very high96.5Very high0 Ų035.2 Ų35.20%023%0.228CC..Hα-helixtrans-61.4-43.9178.500000112.3L212 L218 L223 P234 M235 W241 L242L212-A238 HydrophobicContact CD2-CB 4.04Å; L218-A238 HydrophobicContact CD1-CB 4.13Å; L223-A238 HydrophobicContact CD1-CB 4.47Å; L223-A238 HydrophobicContact CD2-CB 4.38Å; P234-A238 WeakPolarHBondContact O-CB 3.23Å; P234-A238 PolarHBondContact O-N 3.08Å; M235-A238 PolarHBondContact O-N 2.72Å; A238-W241 PolarHBondContact O-N 3.23Å; A238-L242 WeakPolarHBondContact O-CG 3.35Å; A238-L242 PolarHBondContact O-N 3.22Å; A238-L242 VanDerWaalsContact O-N 3.09Å
239L97.2Very high96.5Very high0 Ų031.5 Ų31.50%020%0.197CC..Hα-helixtrans-67.3-42176.2-65.3173000111.8P211 L212 M235 Q236 V237 W241 L242 L243 L251 P253 N264 A267P211-L239 HydrophobicContact CB-CD2 4.22Å; P211-L239 HydrophobicContact CG-CD2 4.43Å; L212-L239 HydrophobicContact CD2-CD2 4.04Å; L212-L239 HydrophobicContact CD2-CG 3.96Å; L212-L239 HydrophobicContact CG-CD2 4.23Å; M235-L239 VanDerWaalsContact O-CG 3.31Å; M235-L239 WeakPolarHBondContact O-CG 3.49Å; M235-L239 PolarHBondContact O-N 2.8Å; Q236-L239 PolarHBondContact O-N 3.31Å; V237-L239 PolarHBondContact O-N 3.45Å; L239-W241 VanDerWaalsContact C-N 3.32Å; L239-W241 PolarHBondContact O-N 3.07Å; L239-L242 PolarHBondContact O-N 3.29Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.18Å; L239-L251 HydrophobicContact CB-CD1 4.1Å; L239-L251 HydrophobicContact CD2-CD1 3.87Å; L239-L251 WeakPolarHBondContact O-CD1 3.38Å; L239-P253 HydrophobicContact CD1-CB 4.16Å; L239-P253 HydrophobicContact CD1-CG 4.12Å; L239-P253 HydrophobicContact CD2-CB 3.95Å; L239-P253 HydrophobicContact CD2-CG 4.14Å; L239-N264 HydrophobicContact CD1-CB 3.96Å; L239-A267 HydrophobicContact CB-CB 3.58Å; L239-A267 HydrophobicContact CD1-CB 4.15Å
240A97.1Very high96.6Very high1 Ų127.2 Ų27.21%0.00817%0.167CC..Hα-helixtrans-63.8-37.8177.500000112.3Q236 V237 L243 Q244 L270 L272Q236-A240 WeakPolarHBondContact O-CB 3.38Å; Q236-A240 PolarHBondContact O-N 2.92Å; V237-A240 PolarHBondContact O-N 2.82Å; A240-L243 PolarHBondContact O-N 3.07Å; A240-Q244 PolarHBondContact O-N 3.48Å; A240-Q244 VanDerWaalsContact O-N 3.12Å; A240-Q244 PolarHBondContact O-NE2 2.89Å; A240-L270 HydrophobicContact CB-CB 3.84Å; A240-L270 HydrophobicContact CB-CD2 3.88Å; A240-L270 HydrophobicContact CB-CG 4.1Å; A240-L272 HydrophobicContact CB-CD1 4.11Å; A240-L272 HydrophobicContact CB-CG 4.29Å
241W97.3Very high96.7Very high2 Ų224.2 Ų24.21%0.00815%0.152CC..Hα-helixtrans-62.1-47.9172.717788.5000110.7Y185 I187 R190 V237 A238 L239 L243 Q244 R245 L272 L280 D281Y185-W241 AromaticContact CE1-CH2 3.98Å; Y185-W241 HydrophobicContact CE1-CH2 3.98Å; Y185-W241 AromaticContact CE1-CZ3 3.9Å; Y185-W241 HydrophobicContact CE1-CZ3 3.9Å; Y185-W241 WeakPolarHBondContact OH-CH2 3.36Å; I187-W241 HydrophobicContact CB-CE3 4.04Å; I187-W241 HydrophobicContact CB-CZ3 4.21Å; I187-W241 HydrophobicContact CD1-CB 4.41Å; I187-W241 HydrophobicContact CD1-CD2 4.17Å; I187-W241 HydrophobicContact CD1-CE3 4.44Å; I187-W241 HydrophobicContact CD1-CG 4.12Å; I187-W241 HydrophobicContact CG1-CD2 4.03Å; I187-W241 HydrophobicContact CG1-CE3 4.03Å; I187-W241 HydrophobicContact CG1-CG 4.48Å; I187-W241 HydrophobicContact CG1-CZ3 4.38Å; R190-W241 HydrophobicContact CG-CH2 4.34Å; V237-W241 WeakPolarHBondContact O-CB 3.28Å; V237-W241 PolarHBondContact O-N 3.04Å; A238-W241 PolarHBondContact O-N 3.23Å; L239-W241 VanDerWaalsContact C-N 3.32Å; L239-W241 PolarHBondContact O-N 3.07Å; W241-L243 VanDerWaalsContact C-N 3.33Å; W241-L243 PolarHBondContact O-N 3.2Å; W241-Q244 CarbonylContact O-C 3.42Å; W241-Q244 PolarHBondContact O-N 3.45Å; W241-R245 HydrophobicContact CH2-CB 4.41Å; W241-R245 HydrophobicContact CH2-CG 4.18Å; W241-R245 HydrophobicContact CZ2-CB 4.46Å; W241-R245 HydrophobicContact CZ2-CG 4.41Å; W241-R245 WeakPolarHBondContact O-CB 3.25Å; W241-R245 PolarHBondContact O-N 3.34Å; W241-L272 HydrophobicContact CB-CD1 3.95Å; W241-L280 HydrophobicContact CB-CD1 4.13Å; W241-L280 HydrophobicContact CG-CB 4.41Å; W241-L280 HydrophobicContact CG-CD1 4.31Å; W241-D281 WeakPolarHBondContact CZ2-OD1 3.49Å; W241-D281 PolarHBondContact NE1-OD1 3.07Å
242L97.3Very high96.8Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-60.1-40.2176.6-73.2167000112.8Y185 P211 A238 L239 Q244 R245 I249 L251Y185-L242 HydrophobicContact CD1-CD2 3.61Å; Y185-L242 HydrophobicContact CE1-CD2 3.63Å; P211-L242 HydrophobicContact CB-CD1 3.52Å; A238-L242 WeakPolarHBondContact O-CG 3.35Å; A238-L242 PolarHBondContact O-N 3.22Å; A238-L242 VanDerWaalsContact O-N 3.09Å; L239-L242 PolarHBondContact O-N 3.29Å; L242-Q244 PolarHBondContact O-N 2.87Å; L242-R245 PolarHBondContact O-N 2.99Å; L242-I249 WeakPolarHBondContact O-CD1 3.12Å; L242-L251 HydrophobicContact CB-CD1 3.94Å; L242-L251 HydrophobicContact CB-CD2 3.8Å; L242-L251 HydrophobicContact CB-CG 4.42Å; L242-L251 HydrophobicContact CD1-CD1 4.45Å; L242-L251 HydrophobicContact CD1-CD2 3.8Å; L242-L251 HydrophobicContact CG-CD2 4.34Å
243L97.3Very high96.8Very high16 Ų1620.5 Ų20.58%0.08411%0.111CC..Hα-helixtrans-65.3-25.7175.5-71.6174000112.9R15 L239 A240 W241 L251 E268R15-L243 HydrophobicContact CB-CD2 3.84Å; R15-L243 VanDerWaalsContact CZ-O 3.26Å; R15-L243 PolarHBondContact NH1-O 2.99Å; R15-L243 PolarHBondContact NH2-O 3.43Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.18Å; A240-L243 PolarHBondContact O-N 3.07Å; W241-L243 VanDerWaalsContact C-N 3.33Å; W241-L243 PolarHBondContact O-N 3.2Å; L243-L251 HydrophobicContact CD1-CD1 4.41Å; L243-L251 HydrophobicContact CD2-CD1 3.84Å; L243-L251 HydrophobicContact CD2-CG 4.03Å; L243-L251 HydrophobicContact CG-CD1 3.67Å; L243-L251 HydrophobicContact CG-CG 4.39Å; L243-E268 HydrophobicContact CD1-CB 4.36Å
244Q96.8Very high96.9Very high49 Ų4920 Ų2023%0.22911%0.114CC..Hα-helixtrans-94.7-18.7178.1-74.6168.884.600113.3A240 W241 L242 S246 L270 L272 L277A240-Q244 PolarHBondContact O-N 3.48Å; A240-Q244 VanDerWaalsContact O-N 3.12Å; A240-Q244 PolarHBondContact O-NE2 2.89Å; W241-Q244 CarbonylContact O-C 3.42Å; W241-Q244 PolarHBondContact O-N 3.45Å; L242-Q244 PolarHBondContact O-N 2.87Å; Q244-S246 PolarHBondContact O-N 3.24Å; Q244-L270 PolarHBondContact NE2-O 2.92Å; Q244-L270 VanDerWaalsContact NE2-O 3.17Å; Q244-L272 VanDerWaalsContact NE2-CG 3.34Å; Q244-L272 VanDerWaalsContact OE1-N 3.07Å; Q244-L272 PolarHBondContact OE1-O 3.45Å; Q244-L277 HydrophobicContact CB-CD2 4.08Å
245R96.1Very high96.9Very high44 Ų4418 Ų1817%0.16610%0.1CC..Hα-helixtrans-61.6-42.4178.7170.758.9-172.481.60.4113.2Y185 D193 D197 W241 L242 I249Y185-R245 HydrophobicContact CE1-CG 4.34Å; Y185-R245 PolarHBondContact OH-NE 3.45Å; Y185-R245 VanDerWaalsContact OH-NE 3.14Å; D193-R245 PolarHBondContact O-NH2 3.46Å; D193-R245 IonicContact OD1-CZ 3.74Å; D193-R245 IonicContact OD1-NE 2.84Å; D193-R245 PolarHBondContact OD1-NE 2.85Å; D193-R245 IonicContact OD1-NH2 3.89Å; D193-R245 PolarHBondContact OD1-NH2 2.91Å; D197-R245 IonicContact OD1-CZ 3.06Å; D197-R245 IonicContact OD1-NH1 2.62Å; D197-R245 PolarHBondContact OD1-NH1 3.32Å; D197-R245 IonicContact OD1-NH2 2.69Å; D197-R245 PolarHBondContact OD1-NH2 2.95Å; D197-R245 IonicContact OD2-NH2 2.75Å; W241-R245 HydrophobicContact CH2-CB 4.41Å; W241-R245 HydrophobicContact CH2-CG 4.18Å; W241-R245 HydrophobicContact CZ2-CB 4.46Å; W241-R245 HydrophobicContact CZ2-CG 4.41Å; W241-R245 WeakPolarHBondContact O-CB 3.25Å; W241-R245 PolarHBondContact O-N 3.34Å; L242-R245 PolarHBondContact O-N 2.99Å; R245-I249 HydrophobicContact CB-CD1 4.04Å; R245-I249 HydrophobicContact CG-CD1 3.94Å
246S97.2Very high97.1Very high8 Ų816.7 Ų16.76%0.05610%0.101CC..  trans-161140.3177.5-175.90000112.1R15 Q244 N248 I249R15-S246 PolarHBondContact NH2-O 3.02Å; Q244-S246 PolarHBondContact O-N 3.24Å; S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 WeakPolarHBondContact CB-OD1 3.36Å; S246-N248 PolarHBondContact O-N 3.47Å; S246-N248 PolarHBondContact OG-OD1 2.72Å; S246-I249 PolarHBondContact O-N 3.49Å
247P96.7Very high97.1Very high73 Ų7317 Ų1747%0.47411%0.107SC..THydrogen-bonded Turntrans-64.7-22.9-178.626.8-36.6000114.5F6 R15 I249F6-P247 VanDerWaalsContact CD2-O 3.28Å; F6-P247 WeakPolarHBondContact CD2-O 3.25Å; R15-P247 PolarHBondContact NE-O 3.04Å; R15-P247 VanDerWaalsContact NE-O 3.13Å; P247-I249 VanDerWaalsContact C-N 3.29Å; P247-I249 PolarHBondContact O-N 2.93Å
248N98.2Very high97.1Very high0 Ų018.9 Ų18.90%012%0.118CC..THydrogen-bonded Turntrans-83.90.3178.974.7-37.2000114.2F6 I196 A200 I204 A205 Y206 S246 L250F6-N248 HydrophobicContact CD2-CB 4.22Å; F6-N248 HydrophobicContact CE1-CB 4.07Å; F6-N248 VanDerWaalsContact CE2-CA 3.49Å; F6-N248 HydrophobicContact CE2-CB 3.55Å; F6-N248 HydrophobicContact CZ-CB 3.46Å; F6-N248 VanDerWaalsContact CZ-CB 3.46Å; I196-N248 PolarHBondContact O-ND2 3.09Å; A200-N248 WeakPolarHBondContact CA-ND2 3.48Å; A200-N248 HydrophobicContact CB-CB 4.07Å; A200-N248 WeakPolarHBondContact CB-OD1 3.17Å; A200-N248 PolarHBondContact N-ND2 2.76Å; A200-N248 VanDerWaalsContact N-ND2 3.16Å; I204-N248 WeakPolarHBondContact O-CB 3.44Å; I204-N248 PolarHBondContact O-ND2 2.56Å; A205-N248 WeakPolarHBondContact CA-O 3.36Å; Y206-N248 PolarHBondContact N-O 3.45Å; S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 WeakPolarHBondContact CB-OD1 3.36Å; S246-N248 PolarHBondContact O-N 3.47Å; S246-N248 PolarHBondContact OG-OD1 2.72Å; N248-L250 PolarHBondContact O-N 3.36Å
249I98.5Very high97.1Very high0 Ų022 Ų220%014%0.143CC..BIsolated β-bridgetrans-76.4123.7176.2-70.3171.8000110.2R15 I196 Y206 P208 L242 R245 S246 P247 L251R15-I249 PolarHBondContact NE-O 3.13Å; R15-I249 VanDerWaalsContact NE-O 3.09Å; R15-I249 PolarHBondContact NH2-O 2.97Å; I196-I249 HydrophobicContact CD1-CD1 4.49Å; I196-I249 HydrophobicContact CG2-CD1 4.27Å; I196-I249 HydrophobicContact CG2-CG1 4.34Å; Y206-I249 VanDerWaalsContact O-CA 3.31Å; Y206-I249 WeakPolarHBondContact O-CA 3.48Å; P208-I249 HydrophobicContact CG-CG2 4.23Å; L242-I249 WeakPolarHBondContact O-CD1 3.12Å; R245-I249 HydrophobicContact CB-CD1 4.04Å; R245-I249 HydrophobicContact CG-CD1 3.94Å; S246-I249 PolarHBondContact O-N 3.49Å; P247-I249 VanDerWaalsContact C-N 3.29Å; P247-I249 PolarHBondContact O-N 2.93Å; I249-L251 HydrophobicContact CG2-CD2 3.45Å; I249-L251 VanDerWaalsContact CG2-CD2 3.45Å; I249-L251 HydrophobicContact CG2-CG 4.02Å
250L98.6Very high97.1Very high0 Ų026.8 Ų26.80%017%0.165CC..  trans-110.9110.2170-65.3-179.1000109.4F6 L8 V13 R15 A205 Y206 V207 P208 N248F6-L250 HydrophobicContact CB-CD2 3.85Å; L8-L250 HydrophobicContact CB-CD1 4.18Å; L8-L250 HydrophobicContact CD1-CD1 4.38Å; L8-L250 HydrophobicContact CD2-CD1 4.12Å; L8-L250 HydrophobicContact CG-CD1 4.47Å; V13-L250 HydrophobicContact CG2-CD1 3.72Å; V13-L250 HydrophobicContact CG2-CD2 3.77Å; V13-L250 HydrophobicContact CG2-CG 4.43Å; R15-L250 HydrophobicContact CB-CD2 4.28Å; R15-L250 HydrophobicContact CG-CD2 4Å; R15-L250 CarbonylContact O-C 3.56Å; A205-L250 HydrophobicContact CB-CD1 3.66Å; A205-L250 HydrophobicContact CB-CG 4.11Å; Y206-L250 PolarHBondContact O-N 2.94Å; V207-L250 WeakPolarHBondContact CA-O 3.44Å; V207-L250 WeakPolarHBondContact CG1-O 3.45Å; V207-L250 HydrophobicContact CG2-CB 4.22Å; P208-L250 WeakPolarHBondContact CD-O 3.48Å; N248-L250 PolarHBondContact O-N 3.36Å
251L98.3Very high97.1Very high0 Ų026.8 Ų26.80%017%0.166CC..BIsolated β-bridgetrans-83.5144.5-178.8-61.1-172.2000112.1R15 L16 G17 P208 L239 L242 L243 I249 P253R15-L251 PolarHBondContact O-N 3.03Å; L16-L251 HydrophobicContact CD1-CB 3.69Å; L16-L251 HydrophobicContact CD1-CD1 4.13Å; L16-L251 HydrophobicContact CD1-CG 4.49Å; G17-L251 CarbonylContact C-O 3.49Å; G17-L251 VanDerWaalsContact CA-O 3.29Å; G17-L251 WeakPolarHBondContact CA-O 3.49Å; G17-L251 PolarHBondContact N-O 2.98Å; P208-L251 HydrophobicContact CG-CD2 3.44Å; P208-L251 VanDerWaalsContact CG-CD2 3.44Å; L239-L251 HydrophobicContact CB-CD1 4.1Å; L239-L251 HydrophobicContact CD2-CD1 3.87Å; L239-L251 WeakPolarHBondContact O-CD1 3.38Å; L242-L251 HydrophobicContact CB-CD1 3.94Å; L242-L251 HydrophobicContact CB-CD2 3.8Å; L242-L251 HydrophobicContact CB-CG 4.42Å; L242-L251 HydrophobicContact CD1-CD1 4.45Å; L242-L251 HydrophobicContact CD1-CD2 3.8Å; L242-L251 HydrophobicContact CG-CD2 4.34Å; L243-L251 HydrophobicContact CD1-CD1 4.41Å; L243-L251 HydrophobicContact CD2-CD1 3.84Å; L243-L251 HydrophobicContact CD2-CG 4.03Å; L243-L251 HydrophobicContact CG-CD1 3.67Å; L243-L251 HydrophobicContact CG-CG 4.39Å; I249-L251 HydrophobicContact CG2-CD2 3.45Å; I249-L251 VanDerWaalsContact CG2-CD2 3.45Å; I249-L251 HydrophobicContact CG2-CG 4.02Å; L251-P253 VanDerWaalsContact C-CD 3.46Å
252I98.1Very high97.1Very high13 Ų1333.3 Ų33.37%0.06719%0.19CC..  trans-132.752.3178.252163.9000111.3G19 D54 V207 G254G19-I252 VanDerWaalsContact CA-O 3.32Å; G19-I252 WeakPolarHBondContact CA-O 3.41Å; G19-I252 PolarHBondContact N-O 2.98Å; D54-I252 HydrophobicContact CB-CB 4.18Å; D54-I252 HydrophobicContact CB-CD1 3.71Å; D54-I252 HydrophobicContact CB-CG2 3.7Å; D54-I252 WeakPolarHBondContact OD1-CD1 3.33Å; V207-I252 HydrophobicContact CG1-CD1 3.65Å; V207-I252 HydrophobicContact CG1-CG1 3.78Å; V207-I252 HydrophobicContact CG1-CG2 4Å; I252-G254 PolarHBondContact O-N 3.5Å
253P96.9Very high97.1Very high5 Ų535.9 Ų35.93%0.03220%0.202CC..  trans-65.6109.4-177.330.4-35.2000110.3L16 L212 L239 L251 N264L16-P253 HydrophobicContact CD1-CG 3.84Å; L212-P253 HydrophobicContact CD1-CB 4.47Å; L239-P253 HydrophobicContact CD1-CB 4.16Å; L239-P253 HydrophobicContact CD1-CG 4.12Å; L239-P253 HydrophobicContact CD2-CB 3.95Å; L239-P253 HydrophobicContact CD2-CG 4.14Å; L251-P253 VanDerWaalsContact C-CD 3.46Å; P253-N264 HydrophobicContact CB-CB 4.43Å; P253-N264 HydrophobicContact CG-CB 4.09Å
254G95.5Very high97Very high29 Ų2935.3 Ų35.330%0.29920%0.199SC..  trans-82.9143.9-179.200000113.1G19 I252G19-G254 WeakPolarHBondContact O-CA 3.21Å; I252-G254 PolarHBondContact O-N 3.5Å
255T95.8Very high97Very high11 Ų1133.8 Ų33.87%0.06719%0.192CC..  trans-156.6153.3173.3-178.30000110.9Y18 S257 H260 L261Y18-T255 HydrophobicContact CE2-CG2 4.46Å; Y18-T255 PolarHBondContact OH-O 2.86Å; T255-S257 WeakPolarHBondContact CG2-O 3.47Å; T255-S257 PolarHBondContact OG1-N 3.09Å; T255-S257 VanDerWaalsContact OG1-N 3.17Å; T255-H260 HydrophobicContact CG2-CB 4.16Å; T255-H260 VanDerWaalsContact OG1-CB 3.27Å; T255-H260 WeakPolarHBondContact OG1-CB 3.39Å; T255-L261 HydrophobicContact CG2-CB 3.79Å
256S95.9Very high97Very high68 Ų6833.5 Ų33.548%0.47620%0.199SC..SBendtrans-995.7172.556.30000113.4V37V37-S256 WeakPolarHBondContact CG1-O 3.38Å
257S96.6Very high96.9Very high39 Ų3933.1 Ų33.127%0.27320%0.197SC..  trans-118.2129.2-178.5169.40000111.4T255 A259 H260 L261T255-S257 WeakPolarHBondContact CG2-O 3.47Å; T255-S257 PolarHBondContact OG1-N 3.09Å; T255-S257 VanDerWaalsContact OG1-N 3.17Å; S257-A259 PolarHBondContact O-N 3.34Å; S257-A259 PolarHBondContact OG-N 3.02Å; S257-H260 PolarHBondContact O-N 3.42Å; S257-H260 PolarHBondContact OG-N 3.01Å; S257-L261 WeakPolarHBondContact O-CB 3.08Å; S257-L261 PolarHBondContact O-N 3.45Å
258V97.7Very high96.8Very high38 Ų3832.9 Ų32.923%0.2319%0.189CC..Hα-helixtrans-59.7-35.9173.1169.10000111.7T40 V41 E44 L261 R262T40-V258 HydrophobicContact CG2-CG2 3.98Å; V41-V258 HydrophobicContact CG2-CG2 3.87Å; E44-V258 HydrophobicContact CG-CG1 4.1Å; V258-L261 WeakPolarHBondContact O-CB 3.21Å; V258-L261 PolarHBondContact O-N 3.36Å; V258-R262 WeakPolarHBondContact O-CG 3.37Å; V258-R262 PolarHBondContact O-N 2.81Å
259A97Very high96.5Very high65 Ų6541.6 Ų41.654%0.53723%0.227SC..Hα-helixtrans-65.2-48.7178.500000111.3S257 L261 R262 E263S257-A259 PolarHBondContact O-N 3.34Å; S257-A259 PolarHBondContact OG-N 3.02Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 2.82Å; A259-R262 PolarHBondContact O-N 3.12Å; A259-E263 PolarHBondContact O-N 3.36Å
260H95.9Very high96.3Very high101 Ų10143.3 Ų43.347%0.46824%0.236SC..Hα-helixtrans-66.1-32.4175.8-66.1168.2000112.1T255 S257 E263 N264T255-H260 HydrophobicContact CG2-CB 4.16Å; T255-H260 VanDerWaalsContact OG1-CB 3.27Å; T255-H260 WeakPolarHBondContact OG1-CB 3.39Å; S257-H260 PolarHBondContact O-N 3.42Å; S257-H260 PolarHBondContact OG-N 3.01Å; H260-E263 PolarHBondContact O-N 3.26Å; H260-N264 WeakPolarHBondContact O-CB 3.45Å; H260-N264 PolarHBondContact O-N 3.5Å
261L97.6Very high96.2Very high2 Ų249.9 Ų49.91%0.0127%0.267CS..Hα-helixtrans-60.1-50.6174.6173.267.6000109.8Y18 V41 E44 A45 L48 T255 S257 V258 A259 E263 N264 M265Y18-L261 HydrophobicContact CD2-CD1 4.02Å; Y18-L261 HydrophobicContact CE2-CD1 4.33Å; V41-L261 HydrophobicContact CG1-CD2 4.25Å; V41-L261 WeakPolarHBondContact O-CD2 3.48Å; E44-L261 HydrophobicContact CB-CD2 3.83Å; E44-L261 HydrophobicContact CG-CD2 3.77Å; A45-L261 HydrophobicContact CB-CD1 4.17Å; A45-L261 HydrophobicContact CB-CD2 4.01Å; L48-L261 HydrophobicContact CD1-CD2 4.15Å; L48-L261 HydrophobicContact CD1-CG 4.07Å; T255-L261 HydrophobicContact CG2-CB 3.79Å; S257-L261 WeakPolarHBondContact O-CB 3.08Å; S257-L261 PolarHBondContact O-N 3.45Å; V258-L261 WeakPolarHBondContact O-CB 3.21Å; V258-L261 PolarHBondContact O-N 3.36Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 2.82Å; L261-E263 VanDerWaalsContact C-N 3.28Å; L261-E263 PolarHBondContact O-N 3.42Å; L261-N264 WeakPolarHBondContact O-CB 3.28Å; L261-N264 PolarHBondContact O-N 3.41Å; L261-M265 HydrophobicContact CD1-CG 4.25Å; L261-M265 HydrophobicContact CD1-SD 4.47Å; L261-M265 HydrophobicContact CG-CG 4.47Å; L261-M265 VanDerWaalsContact O-CG 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.31Å; L261-M265 PolarHBondContact O-N 3.04Å
262R97.6Very high96.1Very high139 Ų13950.1 Ų50.153%0.52527%0.268SS..Hα-helixtrans-61-38.1177.2-71.3174.1177.6175.60.3112.4E44 L48 V258 A259 M265 A266E44-R262 IonicContact OE1-CZ 3.65Å; E44-R262 IonicContact OE1-NE 3.84Å; E44-R262 PolarHBondContact OE1-NE 3.04Å; E44-R262 IonicContact OE1-NH2 2.75Å; E44-R262 PolarHBondContact OE1-NH2 3.12Å; E44-R262 IonicContact OE2-NH2 2.82Å; L48-R262 HydrophobicContact CD1-CG 3.89Å; V258-R262 WeakPolarHBondContact O-CG 3.37Å; V258-R262 PolarHBondContact O-N 2.81Å; A259-R262 PolarHBondContact O-N 3.12Å; R262-M265 PolarHBondContact O-N 3.37Å; R262-A266 PolarHBondContact O-N 3.07Å
263E96.1Very high96Very high53 Ų5352.2 Ų52.225%0.24828%0.284CS..Hα-helixtrans-61.3-49.4174.5-172-178.4135.100111.6T233 Q236 A259 H260 L261 M265 A266T233-E263 VanDerWaalsContact CB-OE1 3.25Å; T233-E263 WeakPolarHBondContact CB-OE1 3.44Å; T233-E263 HydrophobicContact CG2-CG 4.19Å; T233-E263 VanDerWaalsContact CG2-OE1 3.25Å; T233-E263 WeakPolarHBondContact CG2-OE1 3.5Å; T233-E263 PolarHBondContact OG1-OE1 3.23Å; Q236-E263 HydrophobicContact CG-CG 3.93Å; Q236-E263 WeakPolarHBondContact CG-O 3.47Å; Q236-E263 PolarHBondContact NE2-O 3.19Å; Q236-E263 VanDerWaalsContact NE2-O 3.08Å; A259-E263 PolarHBondContact O-N 3.36Å; H260-E263 PolarHBondContact O-N 3.26Å; L261-E263 VanDerWaalsContact C-N 3.28Å; L261-E263 PolarHBondContact O-N 3.42Å; E263-M265 VanDerWaalsContact C-N 3.35Å; E263-M265 PolarHBondContact O-N 3.49Å; E263-A266 PolarHBondContact O-N 2.85Å
264N96.4Very high96Very high4 Ų460.3 Ų60.32%0.02132%0.321CS..Hα-helixtrans-57.5-47.5175.6-69.4-15.1000110.9L16 L239 P253 H260 L261 A266 A267L16-N264 WeakPolarHBondContact CD2-O 3.34Å; L239-N264 HydrophobicContact CD1-CB 3.96Å; P253-N264 HydrophobicContact CB-CB 4.43Å; P253-N264 HydrophobicContact CG-CB 4.09Å; H260-N264 WeakPolarHBondContact O-CB 3.45Å; H260-N264 PolarHBondContact O-N 3.5Å; L261-N264 WeakPolarHBondContact O-CB 3.28Å; L261-N264 PolarHBondContact O-N 3.41Å; N264-A266 VanDerWaalsContact C-N 3.25Å; N264-A266 PolarHBondContact O-N 3.45Å; N264-A267 WeakPolarHBondContact O-CB 3.49Å; N264-A267 PolarHBondContact O-N 3.12Å; N264-A267 VanDerWaalsContact O-N 3.07Å
265M96.8Very high96Very high18 Ų1866.3 Ų66.39%0.08934%0.341CS..Hα-helixtrans-62.7-30.7-179.4-64.9-46.3-66.700113.1L16 L48 V50 L261 R262 E263 A267 E268L16-M265 HydrophobicContact CB-CE 4.18Å; L16-M265 HydrophobicContact CD2-CE 3.88Å; L16-M265 HydrophobicContact CD2-SD 3.81Å; L16-M265 HydrophobicContact CG-CE 3.97Å; L16-M265 HydrophobicContact CG-SD 3.83Å; L48-M265 HydrophobicContact CB-CG 4.13Å; L48-M265 HydrophobicContact CD1-CB 4.35Å; L48-M265 HydrophobicContact CD1-CG 3.81Å; V50-M265 HydrophobicContact CG2-CE 3.76Å; V50-M265 HydrophobicContact CG2-SD 3.89Å; L261-M265 HydrophobicContact CD1-CG 4.25Å; L261-M265 HydrophobicContact CD1-SD 4.47Å; L261-M265 HydrophobicContact CG-CG 4.47Å; L261-M265 VanDerWaalsContact O-CG 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.31Å; L261-M265 PolarHBondContact O-N 3.04Å; R262-M265 PolarHBondContact O-N 3.37Å; E263-M265 VanDerWaalsContact C-N 3.35Å; E263-M265 PolarHBondContact O-N 3.49Å; M265-A267 PolarHBondContact O-N 3.15Å; M265-E268 PolarHBondContact O-N 3.27Å
266A95.6Very high96.1Very high37 Ų3766.9 Ų66.931%0.30635%0.345SS..Hα-helixtrans-69.7-15.9177.100000113.6R262 E263 N264 E268 K269R262-A266 PolarHBondContact O-N 3.07Å; E263-A266 PolarHBondContact O-N 2.85Å; N264-A266 VanDerWaalsContact C-N 3.25Å; N264-A266 PolarHBondContact O-N 3.45Å; A266-E268 PolarHBondContact O-N 3.47Å; A266-K269 PolarHBondContact O-N 2.76Å; A266-K269 VanDerWaalsContact O-N 3.12Å
267A95.4Very high96.1Very high1 Ų165.3 Ų65.31%0.00833%0.331CS..G310 helixtrans-60.7-29.6176.200000113.2Q236 L239 N264 M265 K269 L270Q236-A267 HydrophobicContact CB-CB 4.36Å; L239-A267 HydrophobicContact CB-CB 3.58Å; L239-A267 HydrophobicContact CD1-CB 4.15Å; N264-A267 WeakPolarHBondContact O-CB 3.49Å; N264-A267 PolarHBondContact O-N 3.12Å; N264-A267 VanDerWaalsContact O-N 3.07Å; M265-A267 PolarHBondContact O-N 3.15Å; A267-K269 PolarHBondContact O-N 3.34Å; A267-K269 VanDerWaalsContact O-N 3.15Å; A267-L270 PolarHBondContact O-N 3.11Å; A267-L270 VanDerWaalsContact O-N 3.09Å
268E93.8Very high96.1Very high67 Ų6767.4 Ų67.431%0.31335%0.346SS..G310 helixtrans-59.5-25.8177-169.1-173.7-174.600112.7N4 L16 L243 M265 A266N4-E268 WeakPolarHBondContact CB-OE1 3.25Å; N4-E268 VanDerWaalsContact CG-OE1 3.24Å; N4-E268 PolarHBondContact ND2-OE1 3.3Å; L16-E268 HydrophobicContact CD2-CB 4.18Å; L243-E268 HydrophobicContact CD1-CB 4.36Å; M265-E268 PolarHBondContact O-N 3.27Å; A266-E268 PolarHBondContact O-N 3.47Å
269K92.8Very high96Very high183 Ų18368.8 Ų68.880%0.79635%0.354SS*.G310 helixtrans-87.4-9.4-178.3-59.4177.8-177174.70113.1A266 A267 Q271A266-K269 PolarHBondContact O-N 2.76Å; A266-K269 VanDerWaalsContact O-N 3.12Å; A267-K269 PolarHBondContact O-N 3.34Å; A267-K269 VanDerWaalsContact O-N 3.15Å; K269-Q271 PolarHBondContact O-N 3.38Å
270L95.1Very high95.9Very high36 Ų3665.7 Ų65.719%0.18833%0.329CS..  trans-88.1101.6-174.8-173.764.8000110.3L230 A232 V237 A240 Q244 A267 L272L230-L270 HydrophobicContact CD1-CD1 4.39Å; L230-L270 HydrophobicContact CD1-CD2 4.36Å; A232-L270 HydrophobicContact CB-CD2 4.04Å; V237-L270 HydrophobicContact CG2-CD2 3.95Å; A240-L270 HydrophobicContact CB-CB 3.84Å; A240-L270 HydrophobicContact CB-CD2 3.88Å; A240-L270 HydrophobicContact CB-CG 4.1Å; Q244-L270 PolarHBondContact NE2-O 2.92Å; Q244-L270 VanDerWaalsContact NE2-O 3.17Å; A267-L270 PolarHBondContact O-N 3.11Å; A267-L270 VanDerWaalsContact O-N 3.09Å; L270-L272 HydrophobicContact CD2-CD2 3.92Å; L270-L272 HydrophobicContact CG-CD2 3.89Å
271Q94.9Very high95.8Very high139 Ų13963.3 Ų63.365%0.6532%0.319SS*.PPolyproline II helixtrans-82.1121.7171.5-172.662.750.900109.3K269K269-Q271 PolarHBondContact O-N 3.38Å
272L96.4Very high95.5Very high5 Ų564.3 Ų64.33%0.02633%0.33CS..PPolyproline II helixtrans-94140177.1-57.2174.7000108.3L230 A240 W241 Q244 L270 V276 L277 L280L230-L272 HydrophobicContact CD1-CD2 3.52Å; A240-L272 HydrophobicContact CB-CD1 4.11Å; A240-L272 HydrophobicContact CB-CG 4.29Å; W241-L272 HydrophobicContact CB-CD1 3.95Å; Q244-L272 VanDerWaalsContact NE2-CG 3.34Å; Q244-L272 VanDerWaalsContact OE1-N 3.07Å; Q244-L272 PolarHBondContact OE1-O 3.45Å; L270-L272 HydrophobicContact CD2-CD2 3.92Å; L270-L272 HydrophobicContact CG-CD2 3.89Å; L272-V276 HydrophobicContact CB-CB 4.49Å; L272-V276 HydrophobicContact CB-CG1 4.15Å; L272-V276 HydrophobicContact CD2-CG1 3.93Å; L272-V276 HydrophobicContact CG-CG1 4.43Å; L272-L277 HydrophobicContact CB-CD2 3.88Å; L272-L277 HydrophobicContact CB-CG 3.94Å; L272-L277 HydrophobicContact CD1-CD2 3.85Å; L272-L280 HydrophobicContact CD1-CD1 3.81Å
273S96.9Very high95.1Very high57 Ų5758.1 Ų58.140%0.39931%0.308SS..PPolyproline II helixtrans-73.9160.6173.666.90000110.4E275 V276 L277S273-E275 PolarHBondContact O-N 2.98Å; S273-V276 PolarHBondContact O-N 3.17Å; S273-V276 VanDerWaalsContact O-N 3.13Å; S273-V276 WeakPolarHBondContact OG-CG2 3.41Å; S273-V276 PolarHBondContact OG-N 3.09Å; S273-L277 WeakPolarHBondContact O-CG 3.47Å; S273-L277 PolarHBondContact O-N 3.4Å
274E96.2Very high94.4Very high174 Ų17457.6 Ų57.681%0.81331%0.31SS*.Hα-helixtrans-57.9-36174.9-65.9-177.6169.600112.3L277 S278E274-L277 PolarHBondContact O-N 3.36Å; E274-S278 VanDerWaalsContact O-CB 3.32Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.1Å
275E96.6Very high93.2Very high156 Ų15667.5 Ų67.573%0.72935%0.347SS*.Hα-helixtrans-62.3-48.7174.4-176.4178.1-173.500111.4S273 L277 S278 T279S273-E275 PolarHBondContact O-N 2.98Å; E275-L277 PolarHBondContact O-N 3.08Å; E275-S278 WeakPolarHBondContact O-CB 3.36Å; E275-S278 PolarHBondContact O-N 2.71Å; E275-T279 PolarHBondContact O-N 3.24Å; E275-T279 PolarHBondContact O-OG1 3.48Å
276V96.9Very high91.4Very high22 Ų2274.3 Ų74.313%0.13338%0.379CS..Hα-helixtrans-63.7-42.5178169.90000111.2V226 L230 L272 S273 S278 T279 L280V226-V276 HydrophobicContact CG1-CG1 3.56Å; L230-V276 HydrophobicContact CD1-CG1 4.4Å; L272-V276 HydrophobicContact CB-CB 4.49Å; L272-V276 HydrophobicContact CB-CG1 4.15Å; L272-V276 HydrophobicContact CD2-CG1 3.93Å; L272-V276 HydrophobicContact CG-CG1 4.43Å; S273-V276 PolarHBondContact O-N 3.17Å; S273-V276 VanDerWaalsContact O-N 3.13Å; S273-V276 WeakPolarHBondContact OG-CG2 3.41Å; S273-V276 PolarHBondContact OG-N 3.09Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.46Å; V276-T279 PolarHBondContact O-N 3.2Å; V276-L280 HydrophobicContact CG1-CD1 3.78Å; V276-L280 HydrophobicContact CG1-CG 4.24Å; V276-L280 WeakPolarHBondContact O-CB 3.45Å; V276-L280 VanDerWaalsContact O-CG 3.25Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 2.98Å
277L96.4Very high91.2Very high36 Ų3676.2 Ų76.219%0.18838%0.382CS..Hα-helixtrans-59.5-45.4175.8-71.5171.7000111.2Q244 L272 S273 E274 E275 T279 L280 D281Q244-L277 HydrophobicContact CB-CD2 4.08Å; L272-L277 HydrophobicContact CB-CD2 3.88Å; L272-L277 HydrophobicContact CB-CG 3.94Å; L272-L277 HydrophobicContact CD1-CD2 3.85Å; S273-L277 WeakPolarHBondContact O-CG 3.47Å; S273-L277 PolarHBondContact O-N 3.4Å; E274-L277 PolarHBondContact O-N 3.36Å; E275-L277 PolarHBondContact O-N 3.08Å; L277-T279 PolarHBondContact O-N 3.2Å; L277-L280 PolarHBondContact O-N 3.29Å; L277-D281 WeakPolarHBondContact O-CB 3.38Å; L277-D281 VanDerWaalsContact O-CG 3.26Å; L277-D281 PolarHBondContact O-N 3.47Å
278S95.4Very high91Very high83 Ų8380.2 Ų80.258%0.5840%0.402SS*.Hα-helixtrans-61.1-41.4176.9-176.50000112.5E274 E275 V276 D281E274-S278 VanDerWaalsContact O-CB 3.32Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.1Å; E275-S278 WeakPolarHBondContact O-CB 3.36Å; E275-S278 PolarHBondContact O-N 2.71Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.46Å; S278-D281 PolarHBondContact O-N 2.93Å
279T95.5Very high90.9Very high67 Ų6780.9 Ų80.941%0.41141%0.407SS..Hα-helixtrans-61.8-48.2173.5-59.50000111.5T222 V226 E275 V276 L277 D281 G282T222-T279 HydrophobicContact CG2-CG2 3.67Å; V226-T279 HydrophobicContact CG2-CG2 4.16Å; E275-T279 PolarHBondContact O-N 3.24Å; E275-T279 PolarHBondContact O-OG1 3.48Å; V276-T279 PolarHBondContact O-N 3.2Å; L277-T279 PolarHBondContact O-N 3.2Å; T279-D281 VanDerWaalsContact C-N 3.31Å; T279-D281 PolarHBondContact O-N 2.87Å; T279-G282 PolarHBondContact O-N 3.49Å; T279-G282 VanDerWaalsContact O-N 3.12Å
280L95.7Very high90.7Very high0 Ų074.9 Ų74.90%038%0.384CS..Hα-helixtrans-65.4-33.2-179.2-72.1175.2000112.7I187 L223 V226 V237 W241 L272 V276 L277 G282 I283I187-L280 HydrophobicContact CD1-CB 4.04Å; I187-L280 HydrophobicContact CD1-CD2 3.89Å; I187-L280 HydrophobicContact CD1-CG 4.38Å; L223-L280 HydrophobicContact CD1-CD2 3.96Å; V226-L280 HydrophobicContact CB-CD2 4.21Å; V226-L280 HydrophobicContact CG1-CD1 4.36Å; V226-L280 HydrophobicContact CG1-CD2 4.17Å; V226-L280 HydrophobicContact CG1-CG 4.42Å; V226-L280 HydrophobicContact CG2-CD2 4.09Å; V226-L280 HydrophobicContact CG2-CG 4.5Å; V237-L280 HydrophobicContact CG1-CD1 3.62Å; V237-L280 HydrophobicContact CG1-CD2 3.98Å; V237-L280 HydrophobicContact CG1-CG 4.46Å; W241-L280 HydrophobicContact CB-CD1 4.13Å; W241-L280 HydrophobicContact CG-CB 4.41Å; W241-L280 HydrophobicContact CG-CD1 4.31Å; L272-L280 HydrophobicContact CD1-CD1 3.81Å; V276-L280 HydrophobicContact CG1-CD1 3.78Å; V276-L280 HydrophobicContact CG1-CG 4.24Å; V276-L280 WeakPolarHBondContact O-CB 3.45Å; V276-L280 VanDerWaalsContact O-CG 3.25Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 2.98Å; L277-L280 PolarHBondContact O-N 3.29Å; L280-G282 PolarHBondContact O-N 3.13Å; L280-I283 HydrophobicContact CD2-CD1 3.8Å; L280-I283 WeakPolarHBondContact O-CB 3.32Å; L280-I283 PolarHBondContact O-N 3.27Å; L280-I283 VanDerWaalsContact O-N 3.12Å
281D93.7Very high90.5Very high50 Ų5077.3 Ų77.327%0.26740%0.396SS..Hα-helixtrans-61.7-23.7174.7-77.8-26.6000113.1R190 W241 L277 S278 T279 I283 S284R190-D281 IonicContact CZ-OD1 3.03Å; R190-D281 PolarHBondContact NH1-O 3.18Å; R190-D281 IonicContact NH1-OD1 3.96Å; R190-D281 PolarHBondContact NH1-OD1 2.88Å; R190-D281 IonicContact NH2-OD1 3.84Å; W241-D281 WeakPolarHBondContact CZ2-OD1 3.49Å; W241-D281 PolarHBondContact NE1-OD1 3.07Å; L277-D281 WeakPolarHBondContact O-CB 3.38Å; L277-D281 VanDerWaalsContact O-CG 3.26Å; L277-D281 PolarHBondContact O-N 3.47Å; S278-D281 PolarHBondContact O-N 2.93Å; T279-D281 VanDerWaalsContact C-N 3.31Å; T279-D281 PolarHBondContact O-N 2.87Å; D281-I283 VanDerWaalsContact C-N 3.3Å; D281-I283 PolarHBondContact O-N 2.93Å; D281-S284 PolarHBondContact O-OG 3.29Å
282G90.9Very high90.2Very high24 Ų2473.2 Ų73.225%0.24738%0.379CS..THydrogen-bonded Turntrans-67.7-23.4175.200000114.6T279 L280 S284 R285T279-G282 PolarHBondContact O-N 3.49Å; T279-G282 VanDerWaalsContact O-N 3.12Å; L280-G282 PolarHBondContact O-N 3.13Å; G282-S284 VanDerWaalsContact C-N 3.33Å; G282-S284 PolarHBondContact O-N 3.15Å; G282-R285 WeakPolarHBondContact O-CB 3.47Å; G282-R285 PolarHBondContact O-N 2.96Å
283I89.2Confident89.7Confident9 Ų978.1 Ų78.15%0.04640%0.404CS..G310 helixtrans-60.6-40.1-172.4-70.4169.6000112.3I187 T222 L223 L280 D281 R285 E286I187-I283 HydrophobicContact CD1-CD1 3.66Å; I187-I283 HydrophobicContact CG1-CB 4.35Å; I187-I283 HydrophobicContact CG1-CD1 4.05Å; I187-I283 HydrophobicContact CG2-CG2 4.4Å; T222-I283 HydrophobicContact CG2-CD1 4.25Å; T222-I283 HydrophobicContact CG2-CG1 4.01Å; L223-I283 HydrophobicContact CB-CD1 3.96Å; L280-I283 HydrophobicContact CD2-CD1 3.8Å; L280-I283 WeakPolarHBondContact O-CB 3.32Å; L280-I283 PolarHBondContact O-N 3.27Å; L280-I283 VanDerWaalsContact O-N 3.12Å; D281-I283 VanDerWaalsContact C-N 3.3Å; D281-I283 PolarHBondContact O-N 2.93Å; I283-R285 PolarHBondContact O-N 3.35Å; I283-E286 WeakPolarHBondContact O-CB 3.33Å; I283-E286 PolarHBondContact O-N 3.17Å; I283-E286 VanDerWaalsContact O-N 3.13Å
284S82.7Confident89.2Confident42 Ų4279.7 Ų79.729%0.29441%0.405SS..G310 helixtrans-66.7-5.4178.163.20000115.3R190 D281 G282R190-S284 WeakPolarHBondContact CD-OG 3.48Å; D281-S284 PolarHBondContact O-OG 3.29Å; G282-S284 VanDerWaalsContact C-N 3.33Å; G282-S284 PolarHBondContact O-N 3.15Å
285R69.4Low88.6Confident211 Ų21171.8 Ų71.880%0.79637%0.371SS*.G310 helixtrans-105.8-4.5178.9-53.3176.7-174164.23.5112.4G282 I283G282-R285 WeakPolarHBondContact O-CB 3.47Å; G282-R285 PolarHBondContact O-N 2.96Å; I283-R285 PolarHBondContact O-N 3.35Å
286E60.6Low87.9Confident162 Ų16264.2 Ų64.276%0.75734%0.338SS*.  trans-76.40172.5-63.1176.7-178.500110.6S220 T222 I283S220-E286 PolarHBondContact OG-OE2 3.41Å; T222-E286 PolarHBondContact OG1-OE1 3.28Å; I283-E286 WeakPolarHBondContact O-CB 3.33Å; I283-E286 PolarHBondContact O-N 3.17Å; I283-E286 VanDerWaalsContact O-N 3.13Å

Retrieved 286 of 286 residues in 2263.7 ms (Link to these results)

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