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Carboxyl-terminal PDZ ligand of neuronal nitric oxide synthase protein

Adapter protein involved in neuronal nitric-oxide (NO) synthesis regulation via its association with nNOS/NOS1. The complex formed with NOS1 and synapsins is necessary for specific NO and synapsin functions at a presynaptic level. Mediates an indirect interaction between NOS1 and RASD1 leading to enhance the ability of NOS1 to activate RASD1. Competes with DLG4 for interaction with NOS1, possibly affecting NOS1 activity by regulating the interaction between NOS1 and DLG4. In kidney podocytes, plays a role in podosomes and filopodia formation through CDC42 activation.

AlphaFold DB , UniProt , Accession A0A087X398, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 742 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
1M91.4Very high91.4Very high47 Ų4794.4 Ų94.423%0.23240%0.403CS..  0-69.20-56.2176.1-159.300114.4R3 I4 R5 S61 D63 I69 S71 V86M1-R3 PolarHBondContact O-N 3.49Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-R5 PolarHBondContact O-N 2.93Å; M1-S61 WeakPolarHBondContact CE-O 3.5Å; M1-S61 WeakPolarHBondContact CE-OG 3.33Å; M1-D63 WeakPolarHBondContact CB-OD2 3.49Å; M1-D63 WeakPolarHBondContact SD-CA 3.24Å; M1-D63 HydrophobicContact SD-CB 3.39Å; M1-D63 WeakPolarHBondContact SD-CB 3.3Å; M1-D63 PolarHBondContact SD-N 2.66Å; M1-D63 VanDerWaalsContact SD-N 3.44Å; M1-I69 HydrophobicContact SD-CG2 4.42Å; M1-S71 WeakPolarHBondContact CE-OG 3.45Å; M1-V86 HydrophobicContact CG-CG1 4.25Å; M1-V86 HydrophobicContact CG-CG2 4.43Å
2R91.8Very high91.1Very high150 Ų15098 Ų9857%0.56643%0.431SS*.Hα-helixtrans-45.6-52.6-170-66.5-177.4-172.6121.98.5115.8I4 R5 Y6R2-I4 VanDerWaalsContact C-N 3.26Å; R2-I4 PolarHBondContact O-N 3.1Å; R2-R5 WeakPolarHBondContact O-CA 3.25Å; R2-R5 WeakPolarHBondContact O-CB 3.25Å; R2-R5 PolarHBondContact O-N 2.81Å; R2-Y6 PolarHBondContact O-N 3.12Å
3R92.7Very high90.9Very high153 Ų15396.6 Ų96.658%0.57743%0.43SS*.Hα-helixtrans-50.4-43.8175.9175.8175.8169.4166.8-1.7112.9M1 Y6 E7M1-R3 PolarHBondContact O-N 3.49Å; R3-Y6 WeakPolarHBondContact O-CB 3.3Å; R3-Y6 PolarHBondContact O-N 2.91Å; R3-E7 HydrophobicContact CG-CG 4.43Å; R3-E7 IonicContact CZ-OE1 3.21Å; R3-E7 IonicContact NE-OE1 3.62Å; R3-E7 PolarHBondContact NE-OE1 2.62Å; R3-E7 IonicContact NH2-OE1 2.64Å; R3-E7 PolarHBondContact NH2-OE1 3.31Å; R3-E7 PolarHBondContact O-N 3.37Å
4I91.4Very high90.5Very high11 Ų11103.5 Ų103.56%0.05646%0.459CS..Hα-helixtrans-71.1-34.8-178.2-58.7-179.7000110.8M1 R2 Y6 F8 V86 M456 A458M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.36Å; R2-I4 VanDerWaalsContact C-N 3.26Å; R2-I4 PolarHBondContact O-N 3.1Å; I4-Y6 VanDerWaalsContact C-N 3.34Å; I4-F8 HydrophobicContact CG2-CD2 4.12Å; I4-F8 HydrophobicContact CG2-CE2 4.29Å; I4-F8 WeakPolarHBondContact O-CD2 3.44Å; I4-F8 PolarHBondContact O-N 2.69Å; I4-F8 VanDerWaalsContact O-N 3.14Å; I4-V86 HydrophobicContact CB-CG2 4.36Å; I4-V86 HydrophobicContact CD1-CG2 3.58Å; I4-V86 HydrophobicContact CG1-CG2 4.47Å; I4-V86 HydrophobicContact CG2-CB 4.35Å; I4-V86 HydrophobicContact CG2-CG2 4.4Å; I4-M456 HydrophobicContact CG2-CB 3.96Å; I4-M456 VanDerWaalsContact CG2-O 3.28Å; I4-M456 WeakPolarHBondContact CG2-O 3.48Å; I4-A458 HydrophobicContact CB-CB 4.35Å; I4-A458 HydrophobicContact CD1-CB 3.99Å; I4-A458 HydrophobicContact CG1-CB 3.83Å; I4-A458 HydrophobicContact CG2-CB 3.82Å
5R89.1Confident90.4Very high69 Ų69102.9 Ų102.926%0.2646%0.456SS..Hα-helixtrans-60.6-43.7169.9-59.2-161-101.8134-8.5111.4M1 R2 K9 D63 I69 M456M1-R5 PolarHBondContact O-N 2.93Å; R2-R5 WeakPolarHBondContact O-CA 3.25Å; R2-R5 WeakPolarHBondContact O-CB 3.25Å; R2-R5 PolarHBondContact O-N 2.81Å; R5-K9 PolarHBondContact O-N 2.64Å; R5-D63 IonicContact CZ-OD1 3.7Å; R5-D63 IonicContact CZ-OD2 3.81Å; R5-D63 IonicContact NE-OD2 3.18Å; R5-D63 PolarHBondContact NE-OD2 3.39Å; R5-D63 IonicContact NH2-OD1 2.66Å; R5-D63 PolarHBondContact NH2-OD1 3.26Å; R5-D63 IonicContact NH2-OD2 3.97Å; R5-D63 PolarHBondContact NH2-OD2 3.27Å; R5-I69 HydrophobicContact CG-CD1 4.45Å; R5-M456 HydrophobicContact CG-CE 4.22Å
6Y91.6Very high90.3Very high157 Ų157105.6 Ų105.662%0.61647%0.467SS*.Hα-helixtrans-67.6-50.5179.4-177.8-103.2000112.3R2 R3 I4 F8 K9 V10R2-Y6 PolarHBondContact O-N 3.12Å; R3-Y6 WeakPolarHBondContact O-CB 3.3Å; R3-Y6 PolarHBondContact O-N 2.91Å; I4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-F8 VanDerWaalsContact C-N 3.29Å; Y6-F8 PolarHBondContact O-N 3.23Å; Y6-K9 WeakPolarHBondContact O-CA 3.42Å; Y6-K9 WeakPolarHBondContact O-CB 3.24Å; Y6-K9 PolarHBondContact O-N 3.2Å; Y6-V10 HydrophobicContact CD1-CG2 4.17Å; Y6-V10 HydrophobicContact CD2-CG2 4.19Å; Y6-V10 HydrophobicContact CE1-CG2 3.77Å; Y6-V10 HydrophobicContact CE2-CG2 3.78Å; Y6-V10 HydrophobicContact CG-CG2 4.37Å; Y6-V10 PolarHBondContact O-N 2.82Å
7E91.3Very high90.2Very high37 Ų37105.4 Ų105.417%0.17347%0.465CS..Hα-helixtrans-58.4-39178.8-73.8-167.3-137.100112.3R3 K11R3-E7 HydrophobicContact CG-CG 4.43Å; R3-E7 IonicContact CZ-OE1 3.21Å; R3-E7 IonicContact NE-OE1 3.62Å; R3-E7 PolarHBondContact NE-OE1 2.62Å; R3-E7 IonicContact NH2-OE1 2.64Å; R3-E7 PolarHBondContact NH2-OE1 3.31Å; R3-E7 PolarHBondContact O-N 3.37Å; E7-K11 HydrophobicContact CB-CD 4.43Å; E7-K11 WeakPolarHBondContact O-CB 3.19Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.2Å; E7-K11 PolarHBondContact O-N 2.8Å; E7-K11 IonicContact OE2-NZ 3.81Å; E7-K11 PolarHBondContact OE2-NZ 3.36Å
8F90.3Very high90.3Very high21 Ų2199.6 Ų99.69%0.09244%0.44CS..Hα-helixtrans-67.5-33174.4-91.6-106.5000113.6I4 Y6 N12 I13 K15 M456 F457 A458I4-F8 HydrophobicContact CG2-CD2 4.12Å; I4-F8 HydrophobicContact CG2-CE2 4.29Å; I4-F8 WeakPolarHBondContact O-CD2 3.44Å; I4-F8 PolarHBondContact O-N 2.69Å; I4-F8 VanDerWaalsContact O-N 3.14Å; Y6-F8 VanDerWaalsContact C-N 3.29Å; Y6-F8 PolarHBondContact O-N 3.23Å; F8-N12 PolarHBondContact O-N 2.79Å; F8-I13 HydrophobicContact CD1-CB 3.81Å; F8-I13 HydrophobicContact CD1-CG2 4.05Å; F8-I13 WeakPolarHBondContact CD1-O 3.37Å; F8-I13 HydrophobicContact CE1-CB 3.81Å; F8-I13 HydrophobicContact CE1-CG2 3.52Å; F8-I13 HydrophobicContact CG-CB 4.48Å; F8-I13 HydrophobicContact CZ-CB 4.46Å; F8-I13 HydrophobicContact CZ-CG2 4.11Å; F8-I13 PolarHBondContact O-N 3.49Å; F8-K15 HydrophobicContact CD1-CG 4.26Å; F8-M456 HydrophobicContact CD1-CB 4.36Å; F8-M456 HydrophobicContact CD1-CG 4.43Å; F8-M456 HydrophobicContact CD2-CB 4.17Å; F8-M456 HydrophobicContact CE1-CB 4.44Å; F8-M456 HydrophobicContact CE2-CB 4.26Å; F8-M456 HydrophobicContact CG-CB 4.24Å; F8-M456 HydrophobicContact CZ-CB 4.42Å; F8-F457 WeakPolarHBondContact CE2-O 3.3Å; F8-F457 VanDerWaalsContact CZ-O 3.3Å; F8-F457 WeakPolarHBondContact CZ-O 3.15Å; F8-A458 HydrophobicContact CE2-CB 4.44Å
9K90.1Very high90.3Very high175 Ų17596.7 Ų96.776%0.76143%0.428SS*.Hα-helixtrans-69.6-48.4175.7-171.7-176.1178.3-172.50110.8R5 Y6 N12R5-K9 PolarHBondContact O-N 2.64Å; Y6-K9 WeakPolarHBondContact O-CA 3.42Å; Y6-K9 WeakPolarHBondContact O-CB 3.24Å; Y6-K9 PolarHBondContact O-N 3.2Å; K9-N12 PolarHBondContact O-N 2.7Å
10V94.1Very high90.4Very high91 Ų9192.9 Ų92.955%0.55241%0.411SS*.Hα-helixtrans-72.1-43.8-176.9177.90000112Y6 N12Y6-V10 HydrophobicContact CD1-CG2 4.17Å; Y6-V10 HydrophobicContact CD2-CG2 4.19Å; Y6-V10 HydrophobicContact CE1-CG2 3.77Å; Y6-V10 HydrophobicContact CE2-CG2 3.78Å; Y6-V10 HydrophobicContact CG-CG2 4.37Å; Y6-V10 PolarHBondContact O-N 2.82Å; V10-N12 PolarHBondContact O-N 3.15Å
11K91.7Very high90.5Very high127 Ų12791 Ų9155%0.55241%0.408SS*.THydrogen-bonded Turntrans-76.9-0.1176.7-60.2170.4176.4174.20113.1E7 I13E7-K11 HydrophobicContact CB-CD 4.43Å; E7-K11 WeakPolarHBondContact O-CB 3.19Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.2Å; E7-K11 PolarHBondContact O-N 2.8Å; E7-K11 IonicContact OE2-NZ 3.81Å; E7-K11 PolarHBondContact OE2-NZ 3.36Å; K11-I13 HydrophobicContact CB-CD1 3.74Å; K11-I13 HydrophobicContact CB-CG1 3.7Å; K11-I13 HydrophobicContact CD-CD1 4.11Å; K11-I13 WeakPolarHBondContact O-CG1 3.35Å; K11-I13 PolarHBondContact O-N 2.66Å; K11-I13 VanDerWaalsContact O-N 3.12Å
12N87.3Confident90.6Very high138 Ų13890.6 Ų90.674%0.73841%0.407SS*.THydrogen-bonded Turntrans47.736.4-178.4-158.28000114.6F8 K9 V10 K14F8-N12 PolarHBondContact O-N 2.79Å; K9-N12 PolarHBondContact O-N 2.7Å; V10-N12 PolarHBondContact O-N 3.15Å; N12-K14 PolarHBondContact O-N 2.95Å
13I88.4Confident90.6Very high80 Ų8085.7 Ų85.741%0.4140%0.396SS..PPolyproline II helixtrans-79.4118.8-172.2-60.3175.3000110F8 K11 K15F8-I13 HydrophobicContact CD1-CB 3.81Å; F8-I13 HydrophobicContact CD1-CG2 4.05Å; F8-I13 WeakPolarHBondContact CD1-O 3.37Å; F8-I13 HydrophobicContact CE1-CB 3.81Å; F8-I13 HydrophobicContact CE1-CG2 3.52Å; F8-I13 HydrophobicContact CG-CB 4.48Å; F8-I13 HydrophobicContact CZ-CB 4.46Å; F8-I13 HydrophobicContact CZ-CG2 4.11Å; F8-I13 PolarHBondContact O-N 3.49Å; K11-I13 HydrophobicContact CB-CD1 3.74Å; K11-I13 HydrophobicContact CB-CG1 3.7Å; K11-I13 HydrophobicContact CD-CD1 4.11Å; K11-I13 WeakPolarHBondContact O-CG1 3.35Å; K11-I13 PolarHBondContact O-N 2.66Å; K11-I13 VanDerWaalsContact O-N 3.12Å; I13-K15 PolarHBondContact O-N 3.21Å
14K86.4Confident90.5Very high193 Ų19382.1 Ų82.184%0.83939%0.392SS*.PPolyproline II helixtrans-65.7122176-67178.3-178.2173.50110.4N12N12-K14 PolarHBondContact O-N 2.95Å
15K87.9Confident90.5Very high95 Ų9586 Ų8641%0.41341%0.412SS..PPolyproline II helixtrans-66.5130.3-177.3-56.5-178.7-172.7-175.40110.9F8 I13 A454 M456F8-K15 HydrophobicContact CD1-CG 4.26Å; I13-K15 PolarHBondContact O-N 3.21Å; K15-A454 HydrophobicContact CB-CB 4.08Å; K15-M456 HydrophobicContact CD-CG 3.71Å; K15-M456 HydrophobicContact CD-SD 4.13Å; K15-M456 VanDerWaalsContact CE-SD 3.54Å; K15-M456 HydrophobicContact CG-CG 4.17Å; K15-M456 PolarHBondContact NZ-SD 2.99Å
16K88.8Confident90.7Very high146 Ų14682.7 Ų82.764%0.63540%0.4SS*.EExtended strand (participates in β ladder)trans-78.9129.5178.4-65.3-179.3-179.3177.60109.9L31 A454 I455K16-L31 HydrophobicContact CB-CD1 4.08Å; K16-L31 HydrophobicContact CD-CD1 4.28Å; K16-A454 CarbonylContact O-C 3.6Å; K16-A454 VanDerWaalsContact O-CA 3.29Å; K16-A454 WeakPolarHBondContact O-CA 3.43Å; K16-I455 PolarHBondContact O-N 3.27Å
17K89.8Confident90.8Very high101 Ų10175.3 Ų75.344%0.43937%0.372SS..EExtended strand (participates in β ladder)trans-74.2134.8171.5-69.3-169.2-175.1-175.60109.9R32 E452 I453K17-R32 HydrophobicContact CB-CB 4.44Å; K17-R32 PolarHBondContact O-N 2.93Å; K17-R32 VanDerWaalsContact O-N 3.15Å; K17-E452 VanDerWaalsContact CE-OE2 3.25Å; K17-E452 WeakPolarHBondContact CE-OE2 3.31Å; K17-E452 IonicContact NZ-OE1 2.7Å; K17-E452 PolarHBondContact NZ-OE1 3.04Å; K17-E452 IonicContact NZ-OE2 3.98Å; K17-E452 PolarHBondContact NZ-OE2 2.89Å; K17-I453 WeakPolarHBondContact CA-O 3.37Å
18V91.3Very high90.9Very high2 Ų275.9 Ų75.91%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-139.4166.5-176.3-63.60000111.8I20 V29 T30 L31 I453 I455V18-I20 HydrophobicContact CG2-CG1 4.35Å; V18-V29 HydrophobicContact CB-CG1 4.38Å; V18-V29 HydrophobicContact CG2-CG1 4.33Å; V18-T30 CarbonylContact C-O 3.57Å; V18-T30 VanDerWaalsContact CA-O 3.27Å; V18-T30 WeakPolarHBondContact CA-O 3.47Å; V18-T30 WeakPolarHBondContact CB-O 3.34Å; V18-L31 HydrophobicContact CG1-CD1 4.19Å; V18-I453 HydrophobicContact CG2-CB 4.36Å; V18-I453 HydrophobicContact CG2-CG2 4.32Å; V18-I453 PolarHBondContact N-O 2.9Å; V18-I455 HydrophobicContact CB-CD1 4.21Å; V18-I455 HydrophobicContact CB-CG1 4.1Å; V18-I455 HydrophobicContact CG1-CD1 3.55Å; V18-I455 HydrophobicContact CG1-CG1 3.62Å; V18-I455 HydrophobicContact CG2-CD1 3.91Å; V18-I455 HydrophobicContact CG2-CG1 3.4Å; V18-I455 VanDerWaalsContact CG2-CG1 3.4Å
19H90.3Very high91Very high45 Ų4574.9 Ų74.921%0.20837%0.369CS..EExtended strand (participates in β ladder)trans-107.2153.1161.5-168.7-102.9000108.8T30 L449H19-T30 PolarHBondContact N-O 2.86Å; H19-T30 PolarHBondContact O-N 3.29Å; H19-L449 PolarHBondContact CD2-O 2.93Å; H19-L449 PolarHBondContact NE2-O 3.34Å
20I92.1Very high91Very high19 Ų1967.9 Ų67.910%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-132.4121.9177.1-57.2-177.4000106.6V18 V22 V27 V29 F70 F87 I453V18-I20 HydrophobicContact CG2-CG1 4.35Å; I20-V22 HydrophobicContact CG2-CG2 4.3Å; I20-V27 HydrophobicContact CG2-CG1 3.74Å; I20-V29 HydrophobicContact CG1-CG1 4.35Å; I20-V29 HydrophobicContact CG1-CG2 4.37Å; I20-V29 HydrophobicContact CG2-CG2 4.44Å; I20-F70 HydrophobicContact CD1-CE2 4.41Å; I20-F70 HydrophobicContact CD1-CZ 4Å; I20-F87 HydrophobicContact CD1-CD1 3.56Å; I20-F87 HydrophobicContact CD1-CE1 3.63Å; I20-F87 HydrophobicContact CD1-CG 4.04Å; I20-F87 HydrophobicContact CD1-CZ 4.2Å; I20-I453 HydrophobicContact CB-CD1 4.06Å; I20-I453 HydrophobicContact CD1-CD1 3.97Å; I20-I453 HydrophobicContact CD1-CG2 3.95Å; I20-I453 HydrophobicContact CG1-CD1 3.92Å
21V92.3Very high90.7Very high55 Ų5567 Ų6733%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-101.4132.1170.8-177.70000107.2V27 K28V21-V27 WeakPolarHBondContact O-CA 3.28Å; V21-K28 HydrophobicContact CB-CB 4.38Å; V21-K28 PolarHBondContact N-O 2.8Å; V21-K28 PolarHBondContact O-N 3.11Å
22V93.9Very high90.1Very high37 Ų3766.7 Ų66.722%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-116126.9171.7-176.70000106.7I20 V27 T101 V102 A105I20-V22 HydrophobicContact CG2-CG2 4.3Å; V22-V27 HydrophobicContact CG1-CG2 4.49Å; V22-V27 HydrophobicContact CG2-CG2 4.41Å; V22-T101 HydrophobicContact CB-CG2 4.29Å; V22-T101 HydrophobicContact CG1-CG2 4.19Å; V22-V102 HydrophobicContact CG1-CG2 3.84Å; V22-V102 HydrophobicContact CG2-CG2 3.81Å; V22-A105 HydrophobicContact CG1-CB 4.08Å
23S92.9Very high89.3Confident48 Ų4864.5 Ų64.534%0.33631%0.312SS..  trans-134.4177.917664.10000109.9D25 G26 I54S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 PolarHBondContact OG-N 2.81Å; S23-G26 PolarHBondContact N-O 3Å; S23-G26 PolarHBondContact OG-N 2.79Å; S23-G26 VanDerWaalsContact OG-N 3.17Å; S23-G26 PolarHBondContact OG-O 3.14Å; S23-I54 WeakPolarHBondContact O-CD1 3.42Å; S23-I54 WeakPolarHBondContact O-CG1 3.43Å
24T89.9Confident87.9Confident78 Ų7870 Ų7048%0.47933%0.333SS..SBendtrans-68.1-22.8169.845.20000113.1I54 V108T24-I54 WeakPolarHBondContact O-CG1 3.28Å; T24-V108 HydrophobicContact CG2-CB 4.26Å; T24-V108 HydrophobicContact CG2-CG1 3.56Å
25D90.9Very high86.5Confident91 Ų9170.8 Ų70.849%0.48734%0.336SS..SBendtrans-73-50.7171.6164.272.9000111.6S23 Q51 P53 I54S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 PolarHBondContact OG-N 2.81Å; D25-Q51 PolarHBondContact OD2-NE2 2.97Å; D25-P53 CarbonylContact O-C 3.5Å; D25-P53 VanDerWaalsContact O-CA 3.24Å; D25-P53 WeakPolarHBondContact O-CA 3.32Å; D25-I54 PolarHBondContact O-N 3.04Å
26G92.6Very high84.9Confident1 Ų175.2 Ų75.21%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-178.3-174.5-174.500000116.4S23 D52S23-G26 PolarHBondContact N-O 3Å; S23-G26 PolarHBondContact OG-N 2.79Å; S23-G26 VanDerWaalsContact OG-N 3.17Å; S23-G26 PolarHBondContact OG-O 3.14Å; G26-D52 WeakPolarHBondContact CA-O 3.49Å
27V94.4Very high83Confident2 Ų277.9 Ų77.91%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-101.5105.8169.2-1790000108.4I20 V21 V22 V29 Q51 D52 I54 I57 Y72 V102I20-V27 HydrophobicContact CG2-CG1 3.74Å; V21-V27 WeakPolarHBondContact O-CA 3.28Å; V22-V27 HydrophobicContact CG1-CG2 4.49Å; V22-V27 HydrophobicContact CG2-CG2 4.41Å; V27-V29 HydrophobicContact CG1-CG2 4.15Å; V27-Q51 WeakPolarHBondContact O-CA 3.49Å; V27-D52 PolarHBondContact N-O 3.11Å; V27-D52 PolarHBondContact O-N 3.08Å; V27-I54 HydrophobicContact CG2-CD1 4.38Å; V27-I57 HydrophobicContact CB-CD1 4Å; V27-I57 HydrophobicContact CG2-CD1 3.52Å; V27-Y72 HydrophobicContact CB-CE1 4.46Å; V27-Y72 HydrophobicContact CG1-CE1 3.79Å; V27-V102 HydrophobicContact CG2-CG2 4.21Å
28K92.8Very high81.4Confident49 Ų4982.6 Ų82.621%0.21339%0.388CS..EExtended strand (participates in β ladder)trans-98.2118.4176.5-174.1171.375.2163.90109.6V21 T30 E44 I48 Q51V21-K28 HydrophobicContact CB-CB 4.38Å; V21-K28 PolarHBondContact N-O 2.8Å; V21-K28 PolarHBondContact O-N 3.11Å; K28-T30 HydrophobicContact CG-CG2 4.16Å; K28-E44 IonicContact NZ-OE2 2.82Å; K28-E44 PolarHBondContact NZ-OE2 2.91Å; K28-I48 HydrophobicContact CD-CD1 3.9Å; K28-I48 HydrophobicContact CD-CG1 4.18Å; K28-I48 HydrophobicContact CG-CD1 4.48Å; K28-I48 HydrophobicContact CG-CG1 4.4Å; K28-Q51 HydrophobicContact CB-CG 4.25Å; K28-Q51 HydrophobicContact CG-CB 4.43Å; K28-Q51 HydrophobicContact CG-CG 4.47Å
29V92.7Very high78.7Confident0 Ų088.8 Ų88.80%042%0.416CS..EExtended strand (participates in β ladder)trans-108.3120.4-177.3-177.30000109.3V18 I20 V27 V49 M50 F87 I455V18-V29 HydrophobicContact CB-CG1 4.38Å; V18-V29 HydrophobicContact CG2-CG1 4.33Å; I20-V29 HydrophobicContact CG1-CG1 4.35Å; I20-V29 HydrophobicContact CG1-CG2 4.37Å; I20-V29 HydrophobicContact CG2-CG2 4.44Å; V27-V29 HydrophobicContact CG1-CG2 4.15Å; V29-V49 HydrophobicContact CG1-CB 4.35Å; V29-V49 PolarHBondContact O-N 3.12Å; V29-M50 HydrophobicContact CB-CE 4.36Å; V29-M50 HydrophobicContact CB-CG 4.14Å; V29-M50 HydrophobicContact CG1-CE 4.41Å; V29-M50 HydrophobicContact CG2-CE 4.26Å; V29-M50 HydrophobicContact CG2-CG 4.02Å; V29-M50 PolarHBondContact N-O 2.98Å; V29-M50 PolarHBondContact O-N 3.39Å; V29-F87 HydrophobicContact CG1-CE1 4.17Å; V29-F87 HydrophobicContact CG2-CE1 4.36Å; V29-F87 HydrophobicContact CG2-CZ 4.19Å; V29-I455 HydrophobicContact CG1-CD1 3.62Å
30T90.5Very high76.6Confident27 Ų2798.1 Ų98.117%0.16645%0.45CS..EExtended strand (participates in β ladder)trans-122.3142.9-175.164.90000113V18 H19 K28 R32 L47 I48V18-T30 CarbonylContact C-O 3.57Å; V18-T30 VanDerWaalsContact CA-O 3.27Å; V18-T30 WeakPolarHBondContact CA-O 3.47Å; V18-T30 WeakPolarHBondContact CB-O 3.34Å; H19-T30 PolarHBondContact N-O 2.86Å; H19-T30 PolarHBondContact O-N 3.29Å; K28-T30 HydrophobicContact CG-CG2 4.16Å; T30-R32 PolarHBondContact O-N 2.82Å; T30-L47 CarbonylContact C-O 3.51Å; T30-L47 VanDerWaalsContact CA-O 3.28Å; T30-L47 WeakPolarHBondContact CA-O 3.29Å; T30-I48 HydrophobicContact CG2-CG1 4.21Å
31L88.2Confident74.4Confident73 Ų73103.8 Ų103.838%0.38249%0.486SS..EExtended strand (participates in β ladder)trans-73.5124.5-179.1-172.264.3000110.5K16 V18 K33 L47 V49K16-L31 HydrophobicContact CB-CD1 4.08Å; K16-L31 HydrophobicContact CD-CD1 4.28Å; V18-L31 HydrophobicContact CG1-CD1 4.19Å; L31-K33 PolarHBondContact O-N 3.36Å; L31-L47 PolarHBondContact N-O 2.81Å; L31-L47 WeakPolarHBondContact O-CD2 3.21Å; L31-V49 HydrophobicContact CB-CG2 3.89Å
32R78.1Confident72.4Confident120 Ų120106.4 Ų106.445%0.45349%0.49SS..  trans-74.7100.1-177.5-172171.4179.9-129.114.3110.8K17 T30 K34 E452K17-R32 HydrophobicContact CB-CB 4.44Å; K17-R32 PolarHBondContact O-N 2.93Å; K17-R32 VanDerWaalsContact O-N 3.15Å; T30-R32 PolarHBondContact O-N 2.82Å; R32-K34 PolarHBondContact O-N 2.99Å; R32-E452 IonicContact CZ-OE1 2.68Å; R32-E452 IonicContact NH1-OE1 2.66Å; R32-E452 PolarHBondContact NH1-OE1 3.35Å; R32-E452 IonicContact NH2-OE1 2.7Å
33K70.1Confident70.7Confident93 Ų93109.1 Ų109.140%0.40450%0.503SS..  trans-56.9130.7175.5-156.5-176-178.6-1740110.7L31 K35 L47L31-K33 PolarHBondContact O-N 3.36Å; K33-K35 PolarHBondContact O-N 3.34Å; K33-L47 HydrophobicContact CB-CD2 3.79Å; K33-L47 HydrophobicContact CD-CD2 4.43Å; K33-L47 HydrophobicContact CG-CD2 4.24Å
34K60.8Low69.5Low196 Ų196113.1 Ų113.185%0.85252%0.516SS*.  trans-66.7123.1160.2-100.9-171.1172.6-174.30107.6R32 K36R32-K34 PolarHBondContact O-N 2.99Å; K34-K36 VanDerWaalsContact C-N 3.26Å; K34-K36 PolarHBondContact O-N 2.97Å
35K57.2Low68.3Low209 Ų209113 Ų11391%0.90952%0.519SS*.  trans-68.876.9-179.5-169.9172.9-177.5172.30111.4K33 K37K33-K35 PolarHBondContact O-N 3.34Å; K35-K37 PolarHBondContact O-N 3.42Å
36K53.1Low67.1Low187 Ų187116.1 Ų116.181%0.81353%0.528SS*.  trans-64.9128.8167.6-150.4-177.9-176.6-1700107.4K34K34-K36 VanDerWaalsContact C-N 3.26Å; K34-K36 PolarHBondContact O-N 2.97Å
37K48.9Very low66.4Low202 Ų202117.8 Ų117.888%0.87854%0.536SS*.SBendtrans-73132.4-175.7-170.4176.7-179-1800109.2K35K35-K37 PolarHBondContact O-N 3.42Å
38K57.2Low65.8Low200 Ų200120.4 Ų120.487%0.8755%0.549SS*.SBendtrans65102.7-163.8-60.6-173.5175.2-172.60113.6
39E34.5Very low65.5Low132 Ų132120.8 Ų120.862%0.61756%0.556SS**  176.7113.2128.5-170.3163.7-134.200108W42E39-W42 WeakPolarHBondContact OE2-CZ2 3.5Å; E39-W42 PolarHBondContact OE2-NE1 3.15Å
40W44.9Very low65.3Low242 Ų242121.5 Ų121.592%0.91756%0.56SS**  trans-81.4176.7169.6-69.698.2000109.5
41T45.5Very low65.3Low138 Ų138124.4 Ų124.485%0.84757%0.571SS**  trans57.268.7-170.566.80000114.5
42W50.9Low65.5Low110 Ų110121.2 Ų121.242%0.41755%0.554SS.*  trans-11596.2159.2-72.877000107.7E39 E44 K46 L47E39-W42 WeakPolarHBondContact OE2-CZ2 3.5Å; E39-W42 PolarHBondContact OE2-NE1 3.15Å; W42-E44 PolarHBondContact O-N 3.1Å; W42-K46 HydrophobicContact CZ3-CD 4.45Å; W42-L47 HydrophobicContact CB-CD1 4.36Å
43D59.2Low66.2Low94 Ų94116.4 Ų116.450%0.50354%0.539SS..  trans-46128.5173.6166.123.9000110.8S45 K46D43-S45 PolarHBondContact O-N 2.92Å; D43-S45 VanDerWaalsContact OD1-CB 3.27Å; D43-S45 WeakPolarHBondContact OD1-CB 3.45Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 3.22Å; D43-S45 VanDerWaalsContact OD2-CB 3.31Å; D43-S45 WeakPolarHBondContact OD2-CB 3.38Å; D43-S45 PolarHBondContact OD2-OG 3.03Å; D43-K46 WeakPolarHBondContact O-CB 3.27Å; D43-K46 PolarHBondContact O-N 3.41Å; D43-K46 VanDerWaalsContact O-N 3.13Å
44E66.3Low67.4Low132 Ų132112.2 Ų112.262%0.61752%0.521SS*.G310 helixtrans-56.7-37.5-179.2-65.7-158.1173.200111.5K28 W42 K46 L47 I48K28-E44 IonicContact NZ-OE2 2.82Å; K28-E44 PolarHBondContact NZ-OE2 2.91Å; W42-E44 PolarHBondContact O-N 3.1Å; E44-K46 PolarHBondContact O-N 2.61Å; E44-L47 PolarHBondContact O-N 3.15Å; E44-I48 PolarHBondContact O-N 3.06Å
45S66.4Low68.8Low75 Ų75110.2 Ų110.252%0.52451%0.509SS..G310 helixtrans-54.2-38.1-179.7-37.80000111.4D43 L47 I48D43-S45 PolarHBondContact O-N 2.92Å; D43-S45 VanDerWaalsContact OD1-CB 3.27Å; D43-S45 WeakPolarHBondContact OD1-CB 3.45Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 3.22Å; D43-S45 VanDerWaalsContact OD2-CB 3.31Å; D43-S45 WeakPolarHBondContact OD2-CB 3.38Å; D43-S45 PolarHBondContact OD2-OG 3.03Å; S45-L47 PolarHBondContact O-N 3.44Å; S45-I48 PolarHBondContact O-N 3.06Å
46K64.1Low70.5Confident157 Ų157104.4 Ų104.468%0.68348%0.481SS*.G310 helixtrans-71-7.5178.9-162.2167.1-174.1169.80114.1W42 D43 E44W42-K46 HydrophobicContact CZ3-CD 4.45Å; D43-K46 WeakPolarHBondContact O-CB 3.27Å; D43-K46 PolarHBondContact O-N 3.41Å; D43-K46 VanDerWaalsContact O-N 3.13Å; E44-K46 PolarHBondContact O-N 2.61Å
47L77.6Confident72.5Confident35 Ų3595.9 Ų95.918%0.18345%0.445CS..G310 helixtrans-117.7-2.7174.6-67.995.4000113.5T30 L31 K33 W42 E44 S45 V49T30-L47 CarbonylContact C-O 3.51Å; T30-L47 VanDerWaalsContact CA-O 3.28Å; T30-L47 WeakPolarHBondContact CA-O 3.29Å; L31-L47 PolarHBondContact N-O 2.81Å; L31-L47 WeakPolarHBondContact O-CD2 3.21Å; K33-L47 HydrophobicContact CB-CD2 3.79Å; K33-L47 HydrophobicContact CD-CD2 4.43Å; K33-L47 HydrophobicContact CG-CD2 4.24Å; W42-L47 HydrophobicContact CB-CD1 4.36Å; E44-L47 PolarHBondContact O-N 3.15Å; S45-L47 PolarHBondContact O-N 3.44Å; L47-V49 PolarHBondContact O-N 2.96Å
48I83.1Confident74.6Confident57 Ų5792 Ų9229%0.29243%0.428SS..EExtended strand (participates in β ladder)trans-66.2128.9169.8-61.2174.1000108.7K28 T30 E44 S45 Q51K28-I48 HydrophobicContact CD-CD1 3.9Å; K28-I48 HydrophobicContact CD-CG1 4.18Å; K28-I48 HydrophobicContact CG-CD1 4.48Å; K28-I48 HydrophobicContact CG-CG1 4.4Å; T30-I48 HydrophobicContact CG2-CG1 4.21Å; E44-I48 PolarHBondContact O-N 3.06Å; S45-I48 PolarHBondContact O-N 3.06Å; I48-Q51 HydrophobicContact CG2-CB 4.44Å
49V85.4Confident76.4Confident57 Ų5788.9 Ų88.935%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-97.1-38.1176.5-177.40000110.2V29 L31 L47 I455 F457V29-V49 HydrophobicContact CG1-CB 4.35Å; V29-V49 PolarHBondContact O-N 3.12Å; L31-V49 HydrophobicContact CB-CG2 3.89Å; L47-V49 PolarHBondContact O-N 2.96Å; V49-I455 HydrophobicContact CG1-CD1 4.29Å; V49-F457 HydrophobicContact CG1-CD2 4.27Å; V49-F457 HydrophobicContact CG1-CE2 3.87Å
50M88.4Confident79.4Confident16 Ų1683.8 Ų83.88%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-160.1158.7162.574.6-159.299.300109.9V29 D52 Y72 N85 F87 F457V29-M50 HydrophobicContact CB-CE 4.36Å; V29-M50 HydrophobicContact CB-CG 4.14Å; V29-M50 HydrophobicContact CG1-CE 4.41Å; V29-M50 HydrophobicContact CG2-CE 4.26Å; V29-M50 HydrophobicContact CG2-CG 4.02Å; V29-M50 PolarHBondContact N-O 2.98Å; V29-M50 PolarHBondContact O-N 3.39Å; M50-D52 WeakPolarHBondContact CG-OD2 3.35Å; M50-Y72 PolarHBondContact SD-OH 3.23Å; M50-N85 HydrophobicContact SD-CB 4.47Å; M50-N85 PolarHBondContact SD-ND2 2.88Å; M50-N85 PolarHBondContact SD-OD1 3.34Å; M50-N85 VanDerWaalsContact SD-OD1 3.34Å; M50-F87 HydrophobicContact CE-CZ 4.38Å; M50-F457 HydrophobicContact CE-CD2 4.24Å; M50-F457 HydrophobicContact CE-CE2 3.57Å; M50-F457 HydrophobicContact CE-CZ 4.3Å
51Q90.7Very high81.8Confident88 Ų8873.1 Ų73.141%0.41135%0.352SS..EExtended strand (participates in β ladder)trans-131.6114.3164.8-179170.1-10.500107D25 V27 K28 I48D25-Q51 PolarHBondContact OD2-NE2 2.97Å; V27-Q51 WeakPolarHBondContact O-CA 3.49Å; K28-Q51 HydrophobicContact CB-CG 4.25Å; K28-Q51 HydrophobicContact CG-CB 4.43Å; K28-Q51 HydrophobicContact CG-CG 4.47Å; I48-Q51 HydrophobicContact CG2-CB 4.44Å
52D93.2Very high84.2Confident5 Ų570.3 Ų70.33%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-109110.3179-63.1-54.5000107.7G26 V27 M50 I57 Y72 A74 R83 N85G26-D52 WeakPolarHBondContact CA-O 3.49Å; V27-D52 PolarHBondContact N-O 3.11Å; V27-D52 PolarHBondContact O-N 3.08Å; M50-D52 WeakPolarHBondContact CG-OD2 3.35Å; D52-I57 HydrophobicContact CB-CD1 4.16Å; D52-I57 HydrophobicContact CB-CG1 4.14Å; D52-Y72 HydrophobicContact CB-CE2 4.02Å; D52-Y72 WeakPolarHBondContact OD2-CE2 3.37Å; D52-Y72 VanDerWaalsContact OD2-CZ 3.3Å; D52-Y72 PolarHBondContact OD2-OH 3.49Å; D52-A74 HydrophobicContact CB-CB 4.01Å; D52-R83 IonicContact OD1-CZ 2.76Å; D52-R83 IonicContact OD1-NH2 3.07Å; D52-R83 PolarHBondContact OD1-NH2 2.76Å; D52-R83 IonicContact OD2-NH2 2.64Å; D52-N85 PolarHBondContact OD2-ND2 2.87Å; D52-N85 VanDerWaalsContact OD2-ND2 3.11Å
53P93.3Very high86.3Confident20 Ų2065.4 Ų65.413%0.1331%0.311CS..EExtended strand (participates in β ladder)trans-61.3148.6178.2-24.334.3000112.3D25 Y55 R56D25-P53 CarbonylContact O-C 3.5Å; D25-P53 VanDerWaalsContact O-CA 3.24Å; D25-P53 WeakPolarHBondContact O-CA 3.32Å; P53-Y55 VanDerWaalsContact C-N 3.28Å; P53-Y55 HydrophobicContact CB-CD1 3.65Å; P53-Y55 HydrophobicContact CB-CE1 3.31Å; P53-Y55 HydrophobicContact CB-CG 4.45Å; P53-Y55 HydrophobicContact CG-CE1 4.01Å; P53-Y55 PolarHBondContact O-N 3.23Å; P53-R56 HydrophobicContact CB-CG 4.48Å; P53-R56 PolarHBondContact O-N 3.23Å
54I93.9Very high87.8Confident4 Ų465.4 Ų65.42%0.02132%0.318CS..G310 helixtrans-54.5-44.2-175.1-65.2-54.2000111.4S23 T24 D25 V27 R56 I57 A105 F106 C109S23-I54 WeakPolarHBondContact O-CD1 3.42Å; S23-I54 WeakPolarHBondContact O-CG1 3.43Å; T24-I54 WeakPolarHBondContact O-CG1 3.28Å; D25-I54 PolarHBondContact O-N 3.04Å; V27-I54 HydrophobicContact CG2-CD1 4.38Å; I54-R56 PolarHBondContact O-N 3.21Å; I54-I57 PolarHBondContact O-N 2.76Å; I54-A105 HydrophobicContact CD1-CB 3.92Å; I54-A105 HydrophobicContact CG1-CB 4.38Å; I54-F106 HydrophobicContact CG2-CD1 3.51Å; I54-F106 HydrophobicContact CG2-CE1 3.88Å; I54-F106 HydrophobicContact CG2-CG 4.46Å; I54-C109 HydrophobicContact CB-CB 4.37Å; I54-C109 HydrophobicContact CG2-CB 3.7Å
55Y91.8Very high89Confident155 Ų15565.1 Ų65.161%0.60832%0.317SS*.G310 helixtrans-63.1-9.8178.771.7-97.4000115P53P53-Y55 VanDerWaalsContact C-N 3.28Å; P53-Y55 HydrophobicContact CB-CD1 3.65Å; P53-Y55 HydrophobicContact CB-CE1 3.31Å; P53-Y55 HydrophobicContact CB-CG 4.45Å; P53-Y55 HydrophobicContact CG-CE1 4.01Å; P53-Y55 PolarHBondContact O-N 3.23Å
56R92.7Very high90.3Very high86 Ų8663.3 Ų63.333%0.32530%0.301SS..G310 helixtrans-101.5-6.6174.2-57.8-165.5-171.8171.9-1.9113.7P53 I54 F58 A74 R75 G77P53-R56 HydrophobicContact CB-CG 4.48Å; P53-R56 PolarHBondContact O-N 3.23Å; I54-R56 PolarHBondContact O-N 3.21Å; R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.44Å; R56-F58 WeakPolarHBondContact O-CE2 3.41Å; R56-A74 CarbonylContact O-C 3.53Å; R56-A74 VanDerWaalsContact O-CA 3.28Å; R56-A74 WeakPolarHBondContact O-CA 3.41Å; R56-R75 PolarHBondContact O-N 2.97Å; R56-G77 VanDerWaalsContact NH1-CA 3.33Å
57I94.2Very high91.7Very high9 Ų958.2 Ų58.25%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-96.1121179.9-50.1177000108.5V27 D52 I54 Y72 I73 A74 F106V27-I57 HydrophobicContact CB-CD1 4Å; V27-I57 HydrophobicContact CG2-CD1 3.52Å; D52-I57 HydrophobicContact CB-CD1 4.16Å; D52-I57 HydrophobicContact CB-CG1 4.14Å; I54-I57 PolarHBondContact O-N 2.76Å; I57-Y72 HydrophobicContact CD1-CD2 4.02Å; I57-Y72 HydrophobicContact CD1-CE2 4.05Å; I57-Y72 HydrophobicContact CG1-CD2 4.19Å; I57-Y72 HydrophobicContact CG1-CE2 4.36Å; I57-Y72 HydrophobicContact CG2-CD2 3.77Å; I57-Y72 HydrophobicContact CG2-CG 4.2Å; I57-I73 WeakPolarHBondContact CA-O 3.35Å; I57-I73 WeakPolarHBondContact CG2-O 3.45Å; I57-A74 HydrophobicContact CG1-CB 4.25Å; I57-F106 HydrophobicContact CB-CE1 3.89Å; I57-F106 HydrophobicContact CB-CZ 3.79Å; I57-F106 HydrophobicContact CG2-CE1 4.31Å; I57-F106 HydrophobicContact CG2-CZ 3.68Å; I57-F106 WeakPolarHBondContact O-CE1 3.19Å; I57-F106 WeakPolarHBondContact O-CZ 3.47Å
58F93.4Very high92.5Very high121 Ų12160.9 Ų60.953%0.53129%0.292SS..EExtended strand (participates in β ladder)trans-98.5-22.9-173.4-72.7-98.2000113R56 I73 R75 F82R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.44Å; R56-F58 WeakPolarHBondContact O-CE2 3.41Å; F58-I73 PolarHBondContact N-O 3.32Å; F58-R75 HydrophobicContact CD2-CB 4.1Å; F58-R75 HydrophobicContact CE2-CB 3.5Å; F58-R75 VanDerWaalsContact CE2-CB 3.5Å; F58-R75 HydrophobicContact CZ-CB 4.39Å; F58-F82 HydrophobicContact CD2-CD1 4.34Å; F58-F82 AromaticContact CD2-CE1 3.86Å; F58-F82 HydrophobicContact CD2-CE1 3.86Å; F58-F82 HydrophobicContact CE2-CE1 4.04Å; F58-F82 HydrophobicContact CG-CE1 4.16Å; F58-F82 HydrophobicContact CZ-CE1 4.43Å
59Y95.6Very high93Very high134 Ų13458.3 Ų58.353%0.52528%0.278SS..EExtended strand (participates in β ladder)trans-157.8144.3-172.9-170.3-118.4000111.8S61 Y72 I73Y59-S61 VanDerWaalsContact CE1-CB 3.49Å; Y59-S61 WeakPolarHBondContact CE1-OG 3.39Å; Y59-Y72 CarbonylContact O-C 3.5Å; Y59-Y72 WeakPolarHBondContact O-CA 3.44Å; Y59-Y72 WeakPolarHBondContact O-CB 3.47Å; Y59-I73 HydrophobicContact CD1-CD1 4.09Å; Y59-I73 PolarHBondContact O-N 3.31Å
60V95.9Very high93.5Very high24 Ų2455.8 Ų55.815%0.14526%0.263CS..EExtended strand (participates in β ladder)trans-137136.717367.20000110V99 V102 F106V60-V99 HydrophobicContact CG1-CG1 4.4Å; V60-V99 HydrophobicContact CG2-CB 4.46Å; V60-V99 HydrophobicContact CG2-CG1 4.26Å; V60-V99 HydrophobicContact CG2-CG2 4.21Å; V60-V102 HydrophobicContact CB-CG1 4.04Å; V60-V102 HydrophobicContact CG1-CB 4.42Å; V60-V102 HydrophobicContact CG1-CG1 4.03Å; V60-V102 HydrophobicContact CG2-CB 4.24Å; V60-V102 HydrophobicContact CG2-CG1 4.08Å; V60-F106 HydrophobicContact CB-CE2 4.49Å; V60-F106 HydrophobicContact CG1-CE2 3.98Å
61S95.9Very high93.9Very high18 Ų1855.2 Ų55.213%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-158.3162.5-17348.20000113.5M1 Y59 F70 S71M1-S61 WeakPolarHBondContact CE-O 3.5Å; M1-S61 WeakPolarHBondContact CE-OG 3.33Å; Y59-S61 VanDerWaalsContact CE1-CB 3.49Å; Y59-S61 WeakPolarHBondContact CE1-OG 3.39Å; S61-F70 CarbonylContact O-C 3.54Å; S61-F70 VanDerWaalsContact O-CA 3.24Å; S61-F70 WeakPolarHBondContact O-CA 3.36Å; S61-F70 WeakPolarHBondContact O-CB 3.43Å; S61-S71 PolarHBondContact N-O 2.86Å; S61-S71 PolarHBondContact O-N 3.15Å
62H95.8Very high94.1Very high80 Ų8051.3 Ų51.337%0.3724%0.242SC..EExtended strand (participates in β ladder)trans-105.8156.8171.653.4-109.4000111.5L67 I69H62-L67 HydrophobicContact CB-CD2 4.04Å; H62-L67 WeakPolarHBondContact CD2-CD2 3.37Å; H62-I69 WeakPolarHBondContact CA-O 3.39Å
63D94.8Very high94.2Very high6 Ų653.3 Ų53.33%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-77.3125.1176.2-154.9-49.2000109.5M1 R5 Q65 D66 I69M1-D63 WeakPolarHBondContact CB-OD2 3.49Å; M1-D63 WeakPolarHBondContact SD-CA 3.24Å; M1-D63 HydrophobicContact SD-CB 3.39Å; M1-D63 WeakPolarHBondContact SD-CB 3.3Å; M1-D63 PolarHBondContact SD-N 2.66Å; M1-D63 VanDerWaalsContact SD-N 3.44Å; R5-D63 IonicContact CZ-OD1 3.7Å; R5-D63 IonicContact CZ-OD2 3.81Å; R5-D63 IonicContact NE-OD2 3.18Å; R5-D63 PolarHBondContact NE-OD2 3.39Å; R5-D63 IonicContact NH2-OD1 2.66Å; R5-D63 PolarHBondContact NH2-OD1 3.26Å; R5-D63 IonicContact NH2-OD2 3.97Å; R5-D63 PolarHBondContact NH2-OD2 3.27Å; D63-Q65 PolarHBondContact O-N 3.04Å; D63-Q65 PolarHBondContact OD1-N 3.43Å; D63-D66 CarbonylContact O-C 3.34Å; D63-D66 PolarHBondContact O-N 3.21Å; D63-D66 VanDerWaalsContact O-N 3.08Å; D63-I69 HydrophobicContact CB-CB 4.02Å; D63-I69 HydrophobicContact CB-CG2 4.08Å; D63-I69 PolarHBondContact N-O 2.89Å
64S91.9Very high94.3Very high95 Ų9552.4 Ų52.466%0.66425%0.246SC*.THydrogen-bonded Turntrans-61-19.6-177.862.60000113.8
65Q91.4Very high94.2Very high126 Ų12657 Ų5759%0.58926%0.263SS*.THydrogen-bonded Turntrans-98.2-16.2179-65.7171.6-24.200114D63D63-Q65 PolarHBondContact O-N 3.04Å; D63-Q65 PolarHBondContact OD1-N 3.43Å
66D92.9Very high94.1Very high36 Ų3651.6 Ų51.619%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-153.489-178.5-176.3-1000109.5D63 K68 I69 K88D63-D66 CarbonylContact O-C 3.34Å; D63-D66 PolarHBondContact O-N 3.21Å; D63-D66 VanDerWaalsContact O-N 3.08Å; D66-K68 PolarHBondContact O-N 2.93Å; D66-K68 VanDerWaalsContact OD1-CB 3.24Å; D66-K68 WeakPolarHBondContact OD1-CB 3.28Å; D66-K68 PolarHBondContact OD1-N 2.94Å; D66-K68 VanDerWaalsContact OD1-N 3.11Å; D66-I69 HydrophobicContact CB-CD1 4.01Å; D66-I69 HydrophobicContact CB-CG1 4.2Å; D66-I69 WeakPolarHBondContact O-CA 3.28Å; D66-I69 WeakPolarHBondContact O-CB 3.19Å; D66-I69 PolarHBondContact O-N 3.47Å; D66-I69 WeakPolarHBondContact OD2-CD1 3.08Å; D66-I69 WeakPolarHBondContact OD2-CG1 3.04Å; D66-K88 IonicContact OD1-NZ 3.9Å; D66-K88 IonicContact OD2-NZ 2.62Å; D66-K88 PolarHBondContact OD2-NZ 3.28Å
67L93.9Very high93.5Very high51 Ų5149.7 Ų49.727%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-65.13.6179.5-60173.6000114H62 I69 K92 A95H62-L67 HydrophobicContact CB-CD2 4.04Å; H62-L67 WeakPolarHBondContact CD2-CD2 3.37Å; L67-I69 VanDerWaalsContact C-N 3.31Å; L67-K92 HydrophobicContact CB-CD 4.16Å; L67-K92 HydrophobicContact CB-CG 3.92Å; L67-K92 HydrophobicContact CD1-CD 4.19Å; L67-A95 VanDerWaalsContact O-CB 3.28Å; L67-A95 WeakPolarHBondContact O-CB 3.43Å
68K93.5Very high92.8Very high91 Ų9158.5 Ų58.540%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-86.9-5.3165.2-52.6172.1-178.3175.60111.6D66 K88 S89 K92D66-K68 PolarHBondContact O-N 2.93Å; D66-K68 VanDerWaalsContact OD1-CB 3.24Å; D66-K68 WeakPolarHBondContact OD1-CB 3.28Å; D66-K68 PolarHBondContact OD1-N 2.94Å; D66-K68 VanDerWaalsContact OD1-N 3.11Å; K68-K88 WeakPolarHBondContact O-CA 3.36Å; K68-S89 PolarHBondContact O-N 3.44Å; K68-K92 HydrophobicContact CG-CB 4.34Å
69I94.6Very high92.1Very high3 Ų355 Ų552%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-113.2131.7-179.2-61.5-179.8000108.9M1 R5 H62 D63 D66 L67 V86 F87 K88 M456M1-I69 HydrophobicContact SD-CG2 4.42Å; R5-I69 HydrophobicContact CG-CD1 4.45Å; H62-I69 WeakPolarHBondContact CA-O 3.39Å; D63-I69 HydrophobicContact CB-CB 4.02Å; D63-I69 HydrophobicContact CB-CG2 4.08Å; D63-I69 PolarHBondContact N-O 2.89Å; D66-I69 HydrophobicContact CB-CD1 4.01Å; D66-I69 HydrophobicContact CB-CG1 4.2Å; D66-I69 WeakPolarHBondContact O-CA 3.28Å; D66-I69 WeakPolarHBondContact O-CB 3.19Å; D66-I69 PolarHBondContact O-N 3.47Å; D66-I69 WeakPolarHBondContact OD2-CD1 3.08Å; D66-I69 WeakPolarHBondContact OD2-CG1 3.04Å; L67-I69 VanDerWaalsContact C-N 3.31Å; I69-V86 HydrophobicContact CG2-CG1 3.9Å; I69-F87 WeakPolarHBondContact CA-O 3.2Å; I69-F87 WeakPolarHBondContact CG2-O 3.08Å; I69-K88 HydrophobicContact CD1-CD 3.98Å; I69-K88 HydrophobicContact CG1-CB 4.01Å; I69-K88 HydrophobicContact CG1-CD 3.81Å; I69-K88 HydrophobicContact CG1-CG 3.88Å; I69-M456 HydrophobicContact CD1-CE 4.17Å; I69-M456 HydrophobicContact CG2-CE 4.03Å
70F95.9Very high91.5Very high4 Ų454.6 Ų54.62%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-138.8161.3177.966.7-85.9000110.4I20 S61 F87 A95 I98 V99 I453I20-F70 HydrophobicContact CD1-CE2 4.41Å; I20-F70 HydrophobicContact CD1-CZ 4Å; S61-F70 CarbonylContact O-C 3.54Å; S61-F70 VanDerWaalsContact O-CA 3.24Å; S61-F70 WeakPolarHBondContact O-CA 3.36Å; S61-F70 WeakPolarHBondContact O-CB 3.43Å; F70-F87 HydrophobicContact CD1-CB 4.14Å; F70-F87 HydrophobicContact CD2-CB 4.3Å; F70-F87 HydrophobicContact CD2-CD2 4.05Å; F70-F87 HydrophobicContact CE1-CB 3.65Å; F70-F87 HydrophobicContact CE2-CB 3.81Å; F70-F87 AromaticContact CE2-CD2 3.58Å; F70-F87 HydrophobicContact CE2-CD2 3.58Å; F70-F87 HydrophobicContact CE2-CE2 4.41Å; F70-F87 AromaticContact CE2-CG 3.85Å; F70-F87 HydrophobicContact CE2-CG 3.85Å; F70-F87 HydrophobicContact CG-CB 4.45Å; F70-F87 HydrophobicContact CZ-CB 3.47Å; F70-F87 VanDerWaalsContact CZ-CB 3.47Å; F70-F87 HydrophobicContact CZ-CD2 4.07Å; F70-F87 AromaticContact CZ-CG 3.84Å; F70-F87 HydrophobicContact CZ-CG 3.84Å; F70-F87 PolarHBondContact N-O 2.91Å; F70-F87 VanDerWaalsContact N-O 3.15Å; F70-F87 PolarHBondContact O-N 3.46Å; F70-A95 HydrophobicContact CD1-CB 3.81Å; F70-A95 HydrophobicContact CE1-CB 4.42Å; F70-I98 HydrophobicContact CD2-CG2 4.27Å; F70-I98 HydrophobicContact CE1-CD1 3.84Å; F70-I98 HydrophobicContact CE2-CB 4.44Å; F70-I98 HydrophobicContact CE2-CG2 3.63Å; F70-I98 HydrophobicContact CZ-CB 4.29Å; F70-I98 HydrophobicContact CZ-CD1 3.69Å; F70-I98 HydrophobicContact CZ-CG2 3.81Å; F70-V99 HydrophobicContact CB-CG2 3.72Å; F70-V99 HydrophobicContact CG-CG2 4.28Å; F70-I453 HydrophobicContact CZ-CG2 4.46Å
71S96.3Very high91.3Very high4 Ų456.6 Ų56.63%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-147.5153.617265.70000112M1 S61 N85M1-S71 WeakPolarHBondContact CE-OG 3.45Å; S61-S71 PolarHBondContact N-O 2.86Å; S61-S71 PolarHBondContact O-N 3.15Å; S71-N85 WeakPolarHBondContact CA-O 3.27Å; S71-N85 WeakPolarHBondContact CB-O 3.47Å
72Y95.9Very high91.2Very high5 Ų560.7 Ų60.72%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-120.3157.4163.767.7-96.2000110.4V27 M50 D52 I57 Y59 A74 N85 F87V27-Y72 HydrophobicContact CB-CE1 4.46Å; V27-Y72 HydrophobicContact CG1-CE1 3.79Å; M50-Y72 PolarHBondContact SD-OH 3.23Å; D52-Y72 HydrophobicContact CB-CE2 4.02Å; D52-Y72 WeakPolarHBondContact OD2-CE2 3.37Å; D52-Y72 VanDerWaalsContact OD2-CZ 3.3Å; D52-Y72 PolarHBondContact OD2-OH 3.49Å; I57-Y72 HydrophobicContact CD1-CD2 4.02Å; I57-Y72 HydrophobicContact CD1-CE2 4.05Å; I57-Y72 HydrophobicContact CG1-CD2 4.19Å; I57-Y72 HydrophobicContact CG1-CE2 4.36Å; I57-Y72 HydrophobicContact CG2-CD2 3.77Å; I57-Y72 HydrophobicContact CG2-CG 4.2Å; Y59-Y72 CarbonylContact O-C 3.5Å; Y59-Y72 WeakPolarHBondContact O-CA 3.44Å; Y59-Y72 WeakPolarHBondContact O-CB 3.47Å; Y72-A74 HydrophobicContact CD2-CB 4.26Å; Y72-A74 HydrophobicContact CE2-CB 4.06Å; Y72-N85 HydrophobicContact CD1-CB 4.3Å; Y72-N85 HydrophobicContact CD2-CB 4.4Å; Y72-N85 HydrophobicContact CE1-CB 3.97Å; Y72-N85 HydrophobicContact CE2-CB 4.11Å; Y72-N85 WeakPolarHBondContact CE2-ND2 3.18Å; Y72-N85 VanDerWaalsContact CZ-ND2 3.29Å; Y72-N85 PolarHBondContact N-O 3.38Å; Y72-N85 PolarHBondContact O-N 3.41Å; Y72-N85 PolarHBondContact OH-ND2 3.2Å; Y72-F87 AromaticContact CD1-CE2 3.78Å; Y72-F87 HydrophobicContact CD1-CE2 3.78Å; Y72-F87 AromaticContact CE1-CE2 3.46Å; Y72-F87 HydrophobicContact CE1-CE2 3.46Å; Y72-F87 VanDerWaalsContact CE1-CE2 3.46Å; Y72-F87 AromaticContact CE1-CZ 3.77Å; Y72-F87 HydrophobicContact CE1-CZ 3.77Å
73I95.3Very high90.9Very high48 Ų4859.4 Ų59.425%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-113.6113.8177.6-56.1179.4000107.8I57 F58 Y59 F82 R83 C84I57-I73 WeakPolarHBondContact CA-O 3.35Å; I57-I73 WeakPolarHBondContact CG2-O 3.45Å; F58-I73 PolarHBondContact N-O 3.32Å; Y59-I73 HydrophobicContact CD1-CD1 4.09Å; Y59-I73 PolarHBondContact O-N 3.31Å; I73-F82 HydrophobicContact CG2-CB 3.9Å; I73-F82 HydrophobicContact CG2-CD1 4.15Å; I73-F82 HydrophobicContact CG2-CG 4.46Å; I73-R83 WeakPolarHBondContact CA-O 3.5Å; I73-C84 HydrophobicContact CG1-CB 4.4Å
74A94.8Very high90.9Very high0 Ų060.4 Ų60.40%032%0.317CS..EExtended strand (participates in β ladder)trans-107.6140.4173.800000110.4D52 R56 I57 Y72 F82 R83D52-A74 HydrophobicContact CB-CB 4.01Å; R56-A74 CarbonylContact O-C 3.53Å; R56-A74 VanDerWaalsContact O-CA 3.28Å; R56-A74 WeakPolarHBondContact O-CA 3.41Å; I57-A74 HydrophobicContact CG1-CB 4.25Å; Y72-A74 HydrophobicContact CD2-CB 4.26Å; Y72-A74 HydrophobicContact CE2-CB 4.06Å; A74-F82 CarbonylContact O-C 3.59Å; A74-R83 PolarHBondContact N-O 3.2Å; A74-R83 PolarHBondContact O-N 2.82Å
75R91.8Very high90.9Very high101 Ų10156.2 Ų56.238%0.38129%0.287SS..EExtended strand (participates in β ladder)trans-79.1131.4164.4-175174.1171.3177.8-3.5108.1R56 F58 N80 F82R56-R75 PolarHBondContact O-N 2.97Å; F58-R75 HydrophobicContact CD2-CB 4.1Å; F58-R75 HydrophobicContact CE2-CB 3.5Å; F58-R75 VanDerWaalsContact CE2-CB 3.5Å; F58-R75 HydrophobicContact CZ-CB 4.39Å; R75-N80 PolarHBondContact NE-OD1 2.81Å; R75-N80 PolarHBondContact NH2-OD1 3.42Å; R75-F82 HydrophobicContact CB-CD1 4.01Å; R75-F82 HydrophobicContact CB-CE1 3.88Å; R75-F82 HydrophobicContact CG-CE1 4.23Å
76D89.5Confident91Very high41 Ų4150.2 Ų50.222%0.21926%0.26CS..  trans-66.7154.9174.4-179.454.5000111.5Q78 S79 V81 R83D76-Q78 PolarHBondContact OD2-N 3.07Å; D76-S79 CarbonylContact C-O 3.51Å; D76-S79 WeakPolarHBondContact CB-OG 3.31Å; D76-S79 VanDerWaalsContact O-O 3.08Å; D76-S79 PolarHBondContact OD2-N 2.96Å; D76-S79 PolarHBondContact OD2-OG 2.89Å; D76-V81 PolarHBondContact N-O 3.2Å; D76-R83 IonicContact OD1-NH1 2.66Å
77G80.9Confident91.1Very high46 Ų4648.5 Ų48.547%0.47425%0.25SS..SBendtrans-85.5-23.7-177.700000114.5R56R56-G77 VanDerWaalsContact NH1-CA 3.33Å
78Q78.3Confident91.1Very high195 Ų19549.1 Ų49.191%0.91125%0.251SS*.SBendtrans-106-16.3-175.4-64.8174.7-8.600111.8D76D76-Q78 PolarHBondContact OD2-N 3.07Å
79S78.8Confident91.1Very high48 Ų4845 Ų4534%0.33623%0.234SC..SBendtrans-136144.7177.463.50000110.7D76 V81D76-S79 CarbonylContact C-O 3.51Å; D76-S79 WeakPolarHBondContact CB-OG 3.31Å; D76-S79 VanDerWaalsContact O-O 3.08Å; D76-S79 PolarHBondContact OD2-N 2.96Å; D76-S79 PolarHBondContact OD2-OG 2.89Å; S79-V81 PolarHBondContact O-N 2.89Å
80N83.3Confident90.9Very high125 Ų12550 Ų5067%0.66826%0.255SS*.SBendtrans-74.731.4176.7-70-41.3000113.1R75R75-N80 PolarHBondContact NE-OD1 2.81Å; R75-N80 PolarHBondContact NH2-OD1 3.42Å
81V91.8Very high90.8Very high66 Ų6654.7 Ų54.740%0.428%0.276SS..  trans-101.7135.3-174.7-178.60000109.9D76 S79D76-V81 PolarHBondContact N-O 3.2Å; S79-V81 PolarHBondContact O-N 2.89Å
82F93.3Very high90.8Very high104 Ų10460.3 Ų60.346%0.45630%0.299SS..EExtended strand (participates in β ladder)trans-89.8116.3177.9-66.3-84.5000111.4F58 I73 A74 R75F58-F82 HydrophobicContact CD2-CD1 4.34Å; F58-F82 AromaticContact CD2-CE1 3.86Å; F58-F82 HydrophobicContact CD2-CE1 3.86Å; F58-F82 HydrophobicContact CE2-CE1 4.04Å; F58-F82 HydrophobicContact CG-CE1 4.16Å; F58-F82 HydrophobicContact CZ-CE1 4.43Å; I73-F82 HydrophobicContact CG2-CB 3.9Å; I73-F82 HydrophobicContact CG2-CD1 4.15Å; I73-F82 HydrophobicContact CG2-CG 4.46Å; A74-F82 CarbonylContact O-C 3.59Å; R75-F82 HydrophobicContact CB-CD1 4.01Å; R75-F82 HydrophobicContact CB-CE1 3.88Å; R75-F82 HydrophobicContact CG-CE1 4.23Å
83R90.9Very high90.7Very high52 Ų5264 Ų6420%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-93.7113178.9179.8168.262.6-132.34.4110.6D52 I73 A74 D76 N85D52-R83 IonicContact OD1-CZ 2.76Å; D52-R83 IonicContact OD1-NH2 3.07Å; D52-R83 PolarHBondContact OD1-NH2 2.76Å; D52-R83 IonicContact OD2-NH2 2.64Å; I73-R83 WeakPolarHBondContact CA-O 3.5Å; A74-R83 PolarHBondContact N-O 3.2Å; A74-R83 PolarHBondContact O-N 2.82Å; D76-R83 IonicContact OD1-NH1 2.66Å; R83-N85 WeakPolarHBondContact CG-OD1 3.09Å; R83-N85 PolarHBondContact O-N 3.35Å
84C93.5Very high90.6Very high27 Ų2762.9 Ų62.918%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-86.6102.2172.6-178.30000110.7I73I73-C84 HydrophobicContact CG1-CB 4.4Å
85N92.9Very high90.6Very high7 Ų762.9 Ų62.94%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-88.1115.8-179.4-69.8-45.8000110.5M50 D52 S71 Y72 R83 F87M50-N85 HydrophobicContact SD-CB 4.47Å; M50-N85 PolarHBondContact SD-ND2 2.88Å; M50-N85 PolarHBondContact SD-OD1 3.34Å; M50-N85 VanDerWaalsContact SD-OD1 3.34Å; D52-N85 PolarHBondContact OD2-ND2 2.87Å; D52-N85 VanDerWaalsContact OD2-ND2 3.11Å; S71-N85 WeakPolarHBondContact CA-O 3.27Å; S71-N85 WeakPolarHBondContact CB-O 3.47Å; Y72-N85 HydrophobicContact CD1-CB 4.3Å; Y72-N85 HydrophobicContact CD2-CB 4.4Å; Y72-N85 HydrophobicContact CE1-CB 3.97Å; Y72-N85 HydrophobicContact CE2-CB 4.11Å; Y72-N85 WeakPolarHBondContact CE2-ND2 3.18Å; Y72-N85 VanDerWaalsContact CZ-ND2 3.29Å; Y72-N85 PolarHBondContact N-O 3.38Å; Y72-N85 PolarHBondContact O-N 3.41Å; Y72-N85 PolarHBondContact OH-ND2 3.2Å; R83-N85 WeakPolarHBondContact CG-OD1 3.09Å; R83-N85 PolarHBondContact O-N 3.35Å; N85-F87 HydrophobicContact CB-CE2 3.66Å; N85-F87 HydrophobicContact CB-CZ 3.95Å; N85-F87 WeakPolarHBondContact O-CE2 3.43Å
86V94Very high90.8Very high1 Ų160.1 Ų60.11%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-112.2133.1-174.3-168.30000112.8M1 I4 I69 M456M1-V86 HydrophobicContact CG-CG1 4.25Å; M1-V86 HydrophobicContact CG-CG2 4.43Å; I4-V86 HydrophobicContact CB-CG2 4.36Å; I4-V86 HydrophobicContact CD1-CG2 3.58Å; I4-V86 HydrophobicContact CG1-CG2 4.47Å; I4-V86 HydrophobicContact CG2-CB 4.35Å; I4-V86 HydrophobicContact CG2-CG2 4.4Å; I69-V86 HydrophobicContact CG2-CG1 3.9Å; V86-M456 HydrophobicContact CG1-CE 3.6Å; V86-M456 PolarHBondContact O-N 2.93Å
87F94.7Very high91Very high0 Ų065.1 Ų65.10%033%0.328CS..EExtended strand (participates in β ladder)trans-127.6152.3-174.5-55.3-89.4000111.2I20 V29 M50 I69 F70 Y72 N85 I453 I455I20-F87 HydrophobicContact CD1-CD1 3.56Å; I20-F87 HydrophobicContact CD1-CE1 3.63Å; I20-F87 HydrophobicContact CD1-CG 4.04Å; I20-F87 HydrophobicContact CD1-CZ 4.2Å; V29-F87 HydrophobicContact CG1-CE1 4.17Å; V29-F87 HydrophobicContact CG2-CE1 4.36Å; V29-F87 HydrophobicContact CG2-CZ 4.19Å; M50-F87 HydrophobicContact CE-CZ 4.38Å; I69-F87 WeakPolarHBondContact CA-O 3.2Å; I69-F87 WeakPolarHBondContact CG2-O 3.08Å; F70-F87 HydrophobicContact CD1-CB 4.14Å; F70-F87 HydrophobicContact CD2-CB 4.3Å; F70-F87 HydrophobicContact CD2-CD2 4.05Å; F70-F87 HydrophobicContact CE1-CB 3.65Å; F70-F87 HydrophobicContact CE2-CB 3.81Å; F70-F87 AromaticContact CE2-CD2 3.58Å; F70-F87 HydrophobicContact CE2-CD2 3.58Å; F70-F87 HydrophobicContact CE2-CE2 4.41Å; F70-F87 AromaticContact CE2-CG 3.85Å; F70-F87 HydrophobicContact CE2-CG 3.85Å; F70-F87 HydrophobicContact CG-CB 4.45Å; F70-F87 HydrophobicContact CZ-CB 3.47Å; F70-F87 VanDerWaalsContact CZ-CB 3.47Å; F70-F87 HydrophobicContact CZ-CD2 4.07Å; F70-F87 AromaticContact CZ-CG 3.84Å; F70-F87 HydrophobicContact CZ-CG 3.84Å; F70-F87 PolarHBondContact N-O 2.91Å; F70-F87 VanDerWaalsContact N-O 3.15Å; F70-F87 PolarHBondContact O-N 3.46Å; Y72-F87 AromaticContact CD1-CE2 3.78Å; Y72-F87 HydrophobicContact CD1-CE2 3.78Å; Y72-F87 AromaticContact CE1-CE2 3.46Å; Y72-F87 HydrophobicContact CE1-CE2 3.46Å; Y72-F87 VanDerWaalsContact CE1-CE2 3.46Å; Y72-F87 AromaticContact CE1-CZ 3.77Å; Y72-F87 HydrophobicContact CE1-CZ 3.77Å; N85-F87 HydrophobicContact CB-CE2 3.66Å; N85-F87 HydrophobicContact CB-CZ 3.95Å; N85-F87 WeakPolarHBondContact O-CE2 3.43Å; F87-I453 HydrophobicContact CB-CG2 4.25Å; F87-I453 HydrophobicContact CD1-CG2 4.43Å; F87-I455 HydrophobicContact CD1-CB 4.29Å; F87-I455 HydrophobicContact CD1-CG1 3.87Å; F87-I455 HydrophobicContact CD1-CG2 4.11Å; F87-I455 HydrophobicContact CE1-CB 4.42Å; F87-I455 HydrophobicContact CE1-CD1 3.96Å; F87-I455 HydrophobicContact CE1-CG1 3.8Å; F87-I455 HydrophobicContact CE1-CG2 4Å
88K93.5Very high91.7Very high63 Ų6364.1 Ų64.127%0.27431%0.311SS..EExtended strand (participates in β ladder)trans-124.1123.5166.3-177.7158.1-173.4150.20110.5D66 K68 I69 A454 M456D66-K88 IonicContact OD1-NZ 3.9Å; D66-K88 IonicContact OD2-NZ 2.62Å; D66-K88 PolarHBondContact OD2-NZ 3.28Å; K68-K88 WeakPolarHBondContact O-CA 3.36Å; I69-K88 HydrophobicContact CD1-CD 3.98Å; I69-K88 HydrophobicContact CG1-CB 4.01Å; I69-K88 HydrophobicContact CG1-CD 3.81Å; I69-K88 HydrophobicContact CG1-CG 3.88Å; K88-A454 PolarHBondContact N-O 2.89Å; K88-A454 PolarHBondContact O-N 2.93Å; K88-M456 HydrophobicContact CB-CE 4.43Å
89S93.4Very high92.5Very high5 Ų555.8 Ų55.84%0.03527%0.273CS..  trans-84.4166.9169.3174.70000111.7K68 K91 Q94K68-S89 PolarHBondContact O-N 3.44Å; S89-K91 PolarHBondContact OG-N 3.02Å; S89-K91 PolarHBondContact OG-O 3.29Å; S89-K91 VanDerWaalsContact OG-O 3.1Å; S89-Q94 WeakPolarHBondContact OG-CB 3.21Å; S89-Q94 PolarHBondContact OG-OE1 3.45Å
90K90.8Very high93.3Very high109 Ų10961.3 Ų61.347%0.47429%0.287SS..SBendtrans-69.7-46.8160.7-77.3172.8164.943.50113.5E452K90-E452 HydrophobicContact CD-CB 4.22Å; K90-E452 VanDerWaalsContact CE-OE2 3.25Å; K90-E452 WeakPolarHBondContact CE-OE2 3.15Å; K90-E452 IonicContact NZ-OE2 2.64Å; K90-E452 PolarHBondContact NZ-OE2 3.44Å
91K94.4Very high93.9Very high102 Ų10257.7 Ų57.744%0.44327%0.269SS..  trans-112.7134.7-165-63.3173.8-178.3163.40109.6S89 S93 Q94 A95 D451S89-K91 PolarHBondContact OG-N 3.02Å; S89-K91 PolarHBondContact OG-O 3.29Å; S89-K91 VanDerWaalsContact OG-O 3.1Å; K91-S93 PolarHBondContact O-N 2.87Å; K91-Q94 HydrophobicContact CB-CB 4.1Å; K91-Q94 PolarHBondContact O-N 2.87Å; K91-Q94 VanDerWaalsContact O-N 3.15Å; K91-A95 PolarHBondContact O-N 3.43Å; K91-D451 IonicContact NZ-OD1 2.8Å; K91-D451 IonicContact NZ-OD2 2.82Å; K91-D451 PolarHBondContact NZ-OD2 3.45Å
92K94.6Very high94.1Very high121 Ų12154.7 Ų54.753%0.52625%0.251SS..Hα-helixtrans-55.4-44.1173.2170.7177.9168-178.80110.4L67 K68 Q94 A95 M96L67-K92 HydrophobicContact CB-CD 4.16Å; L67-K92 HydrophobicContact CB-CG 3.92Å; L67-K92 HydrophobicContact CD1-CD 4.19Å; K68-K92 HydrophobicContact CG-CB 4.34Å; K92-Q94 PolarHBondContact O-N 3.49Å; K92-A95 PolarHBondContact O-N 2.95Å; K92-M96 HydrophobicContact CG-CG 4.39Å; K92-M96 WeakPolarHBondContact O-CB 3.47Å; K92-M96 WeakPolarHBondContact O-CG 3.27Å; K92-M96 PolarHBondContact O-N 3.34Å
93S94.5Very high94.2Very high83 Ų8350.8 Ų50.858%0.5824%0.24SC*.Hα-helixtrans-60.1-38.4176.849.80000113.9K91 R97K91-S93 PolarHBondContact O-N 2.87Å; S93-R97 VanDerWaalsContact O-CB 3.3Å; S93-R97 WeakPolarHBondContact O-CB 3.41Å; S93-R97 PolarHBondContact O-N 3.27Å
94Q93.5Very high94.4Very high25 Ų2553.6 Ų53.612%0.11726%0.255CS..Hα-helixtrans-68.6-44.6177-174.7-165.831.900111.3S89 K91 K92 R97 I98 D451S89-Q94 WeakPolarHBondContact OG-CB 3.21Å; S89-Q94 PolarHBondContact OG-OE1 3.45Å; K91-Q94 HydrophobicContact CB-CB 4.1Å; K91-Q94 PolarHBondContact O-N 2.87Å; K91-Q94 VanDerWaalsContact O-N 3.15Å; K92-Q94 PolarHBondContact O-N 3.49Å; Q94-R97 PolarHBondContact O-N 3.09Å; Q94-I98 HydrophobicContact CG-CD1 3.99Å; Q94-I98 WeakPolarHBondContact O-CD1 3.33Å; Q94-I98 VanDerWaalsContact O-CG1 3.28Å; Q94-I98 WeakPolarHBondContact O-CG1 3.49Å; Q94-I98 PolarHBondContact O-N 3.07Å; Q94-D451 PolarHBondContact NE2-O 2.69Å
95A94.6Very high94.5Very high0 Ų052.7 Ų52.70%025%0.25CC..Hα-helixtrans-60.7-45.8175.800000111.8L67 F70 K91 K92 R97 I98 V99L67-A95 VanDerWaalsContact O-CB 3.28Å; L67-A95 WeakPolarHBondContact O-CB 3.43Å; F70-A95 HydrophobicContact CD1-CB 3.81Å; F70-A95 HydrophobicContact CE1-CB 4.42Å; K91-A95 PolarHBondContact O-N 3.43Å; K92-A95 PolarHBondContact O-N 2.95Å; A95-R97 PolarHBondContact O-N 2.85Å; A95-I98 PolarHBondContact O-N 3.19Å; A95-V99 WeakPolarHBondContact O-CG2 3.43Å; A95-V99 PolarHBondContact O-N 2.79Å; A95-V99 VanDerWaalsContact O-N 3.07Å
96M94.9Very high94.6Very high42 Ų4255 Ų5521%0.20726%0.26CS..Hα-helixtrans-61.8-41.1175.1-70.1-64-67.300112.6K92 V99 R100K92-M96 HydrophobicContact CG-CG 4.39Å; K92-M96 WeakPolarHBondContact O-CB 3.47Å; K92-M96 WeakPolarHBondContact O-CG 3.27Å; K92-M96 PolarHBondContact O-N 3.34Å; M96-V99 PolarHBondContact O-N 3.19Å; M96-R100 WeakPolarHBondContact O-CB 3.42Å; M96-R100 WeakPolarHBondContact O-CG 3.47Å; M96-R100 PolarHBondContact O-N 3.39Å
97R94.9Very high94.6Very high147 Ų14760.2 Ų60.256%0.55528%0.284SS*.Hα-helixtrans-61.8-45.3175.5-176.3174.5177174.7-0.6111.2S93 Q94 A95 V99 R100 T101S93-R97 VanDerWaalsContact O-CB 3.3Å; S93-R97 WeakPolarHBondContact O-CB 3.41Å; S93-R97 PolarHBondContact O-N 3.27Å; Q94-R97 PolarHBondContact O-N 3.09Å; A95-R97 PolarHBondContact O-N 2.85Å; R97-V99 PolarHBondContact O-N 3.26Å; R97-R100 PolarHBondContact O-N 2.68Å; R97-T101 WeakPolarHBondContact O-CB 3.5Å; R97-T101 PolarHBondContact O-N 2.63Å; R97-T101 PolarHBondContact O-OG1 3.42Å; R97-T101 VanDerWaalsContact O-OG1 3.09Å
98I94.7Very high94.4Very high24 Ų2463.3 Ų63.312%0.12330%0.302CS..Hα-helixtrans-61.4-46.5178.6-65.5160.9000111F70 Q94 A95 R100 T101 V102 I453F70-I98 HydrophobicContact CD2-CG2 4.27Å; F70-I98 HydrophobicContact CE1-CD1 3.84Å; F70-I98 HydrophobicContact CE2-CB 4.44Å; F70-I98 HydrophobicContact CE2-CG2 3.63Å; F70-I98 HydrophobicContact CZ-CB 4.29Å; F70-I98 HydrophobicContact CZ-CD1 3.69Å; F70-I98 HydrophobicContact CZ-CG2 3.81Å; Q94-I98 HydrophobicContact CG-CD1 3.99Å; Q94-I98 WeakPolarHBondContact O-CD1 3.33Å; Q94-I98 VanDerWaalsContact O-CG1 3.28Å; Q94-I98 WeakPolarHBondContact O-CG1 3.49Å; Q94-I98 PolarHBondContact O-N 3.07Å; A95-I98 PolarHBondContact O-N 3.19Å; I98-R100 VanDerWaalsContact C-N 3.34Å; I98-R100 PolarHBondContact O-N 3.04Å; I98-T101 PolarHBondContact O-N 3.13Å; I98-V102 HydrophobicContact CG2-CG2 4.46Å; I98-V102 WeakPolarHBondContact O-CG2 3.47Å; I98-V102 PolarHBondContact O-N 2.97Å; I98-I453 HydrophobicContact CD1-CD1 3.59Å; I98-I453 HydrophobicContact CD1-CG1 4.26Å
99V95.9Very high94.3Very high20 Ų2062 Ų6212%0.12130%0.301CS..Hα-helixtrans-59.6-44177.4172.80000111.2V60 F70 A95 M96 R97 V102 G103V60-V99 HydrophobicContact CG1-CG1 4.4Å; V60-V99 HydrophobicContact CG2-CB 4.46Å; V60-V99 HydrophobicContact CG2-CG1 4.26Å; V60-V99 HydrophobicContact CG2-CG2 4.21Å; F70-V99 HydrophobicContact CB-CG2 3.72Å; F70-V99 HydrophobicContact CG-CG2 4.28Å; A95-V99 WeakPolarHBondContact O-CG2 3.43Å; A95-V99 PolarHBondContact O-N 2.79Å; A95-V99 VanDerWaalsContact O-N 3.07Å; M96-V99 PolarHBondContact O-N 3.19Å; R97-V99 PolarHBondContact O-N 3.26Å; V99-V102 PolarHBondContact O-N 2.65Å; V99-G103 PolarHBondContact O-N 2.76Å
100R95.9Very high94.1Very high165 Ų16567.6 Ų67.662%0.62333%0.326SS*.Hα-helixtrans-65.2-43.8176.7-72.9173.9176.1167.5-3.7112.9M96 R97 I98 V102 G103 Q104M96-R100 WeakPolarHBondContact O-CB 3.42Å; M96-R100 WeakPolarHBondContact O-CG 3.47Å; M96-R100 PolarHBondContact O-N 3.39Å; R97-R100 PolarHBondContact O-N 2.68Å; I98-R100 VanDerWaalsContact C-N 3.34Å; I98-R100 PolarHBondContact O-N 3.04Å; R100-V102 VanDerWaalsContact C-N 3.35Å; R100-V102 PolarHBondContact O-N 3.34Å; R100-G103 WeakPolarHBondContact O-CA 3.28Å; R100-G103 PolarHBondContact O-N 3.26Å; R100-G103 VanDerWaalsContact O-N 3.12Å; R100-Q104 WeakPolarHBondContact O-CG 3.37Å; R100-Q104 PolarHBondContact O-N 2.8Å
101T96.2Very high94.1Very high48 Ų4868.5 Ų68.529%0.29433%0.33SS..Hα-helixtrans-67.6-32.4178.7-60.60000112.6V22 R97 I98 A105V22-T101 HydrophobicContact CB-CG2 4.29Å; V22-T101 HydrophobicContact CG1-CG2 4.19Å; R97-T101 WeakPolarHBondContact O-CB 3.5Å; R97-T101 PolarHBondContact O-N 2.63Å; R97-T101 PolarHBondContact O-OG1 3.42Å; R97-T101 VanDerWaalsContact O-OG1 3.09Å; I98-T101 PolarHBondContact O-N 3.13Å; T101-A105 WeakPolarHBondContact O-CB 3.44Å; T101-A105 PolarHBondContact O-N 3.44Å
102V95.7Very high93.7Very high4 Ų468 Ų682%0.02433%0.332CS..Hα-helixtrans-68.7-38.1169.6175.20000111V22 V27 V60 I98 V99 R100 A105 F106V22-V102 HydrophobicContact CG1-CG2 3.84Å; V22-V102 HydrophobicContact CG2-CG2 3.81Å; V27-V102 HydrophobicContact CG2-CG2 4.21Å; V60-V102 HydrophobicContact CB-CG1 4.04Å; V60-V102 HydrophobicContact CG1-CB 4.42Å; V60-V102 HydrophobicContact CG1-CG1 4.03Å; V60-V102 HydrophobicContact CG2-CB 4.24Å; V60-V102 HydrophobicContact CG2-CG1 4.08Å; I98-V102 HydrophobicContact CG2-CG2 4.46Å; I98-V102 WeakPolarHBondContact O-CG2 3.47Å; I98-V102 PolarHBondContact O-N 2.97Å; V99-V102 PolarHBondContact O-N 2.65Å; R100-V102 VanDerWaalsContact C-N 3.35Å; R100-V102 PolarHBondContact O-N 3.34Å; V102-A105 WeakPolarHBondContact O-CB 3.43Å; V102-A105 PolarHBondContact O-N 2.87Å; V102-F106 HydrophobicContact CG1-CD2 4.32Å; V102-F106 HydrophobicContact CG1-CE2 3.66Å; V102-F106 HydrophobicContact CG1-CZ 4.01Å; V102-F106 WeakPolarHBondContact O-CD2 3.24Å; V102-F106 PolarHBondContact O-N 3.02Å; V102-F106 VanDerWaalsContact O-N 3.1Å
103G95.2Very high93.2Very high21 Ų2165.7 Ų65.722%0.21633%0.331CS..Hα-helixtrans-54.6-53.1169.600000112.7V99 R100 A105 F106 E107V99-G103 PolarHBondContact O-N 2.76Å; R100-G103 WeakPolarHBondContact O-CA 3.28Å; R100-G103 PolarHBondContact O-N 3.26Å; R100-G103 VanDerWaalsContact O-N 3.12Å; G103-A105 VanDerWaalsContact C-N 3.28Å; G103-A105 PolarHBondContact O-N 3.44Å; G103-F106 WeakPolarHBondContact O-CB 3.46Å; G103-F106 PolarHBondContact O-N 3.11Å; G103-E107 PolarHBondContact O-N 3.47Å; G103-E107 VanDerWaalsContact O-N 3.13Å
104Q95.1Very high92.6Very high112 Ų11265.7 Ų65.752%0.52332%0.324SS..Hα-helixtrans-59.5-36.4176.4-68.5169.7-4200112.4R100 E107 V108R100-Q104 WeakPolarHBondContact O-CG 3.37Å; R100-Q104 PolarHBondContact O-N 2.8Å; Q104-E107 PolarHBondContact O-N 2.97Å; Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 2.99Å
105A95Very high91.9Very high8 Ų869.6 Ų69.67%0.06634%0.342CS..Hα-helixtrans-64.9-35.9175.200000112.6V22 I54 T101 V102 G103 C109V22-A105 HydrophobicContact CG1-CB 4.08Å; I54-A105 HydrophobicContact CD1-CB 3.92Å; I54-A105 HydrophobicContact CG1-CB 4.38Å; T101-A105 WeakPolarHBondContact O-CB 3.44Å; T101-A105 PolarHBondContact O-N 3.44Å; V102-A105 WeakPolarHBondContact O-CB 3.43Å; V102-A105 PolarHBondContact O-N 2.87Å; G103-A105 VanDerWaalsContact C-N 3.28Å; G103-A105 PolarHBondContact O-N 3.44Å; A105-C109 WeakPolarHBondContact O-CB 3.34Å; A105-C109 PolarHBondContact O-N 3.3Å
106F94.8Very high90.6Very high56 Ų5675.3 Ų75.325%0.24637%0.369CS..Hα-helixtrans-64.1-48.5171.1-66.6-57.1000112I54 I57 V60 V102 G103 V108 C109 H110I54-F106 HydrophobicContact CG2-CD1 3.51Å; I54-F106 HydrophobicContact CG2-CE1 3.88Å; I54-F106 HydrophobicContact CG2-CG 4.46Å; I57-F106 HydrophobicContact CB-CE1 3.89Å; I57-F106 HydrophobicContact CB-CZ 3.79Å; I57-F106 HydrophobicContact CG2-CE1 4.31Å; I57-F106 HydrophobicContact CG2-CZ 3.68Å; I57-F106 WeakPolarHBondContact O-CE1 3.19Å; I57-F106 WeakPolarHBondContact O-CZ 3.47Å; V60-F106 HydrophobicContact CB-CE2 4.49Å; V60-F106 HydrophobicContact CG1-CE2 3.98Å; V102-F106 HydrophobicContact CG1-CD2 4.32Å; V102-F106 HydrophobicContact CG1-CE2 3.66Å; V102-F106 HydrophobicContact CG1-CZ 4.01Å; V102-F106 WeakPolarHBondContact O-CD2 3.24Å; V102-F106 PolarHBondContact O-N 3.02Å; V102-F106 VanDerWaalsContact O-N 3.1Å; G103-F106 WeakPolarHBondContact O-CB 3.46Å; G103-F106 PolarHBondContact O-N 3.11Å; F106-V108 VanDerWaalsContact C-N 3.32Å; F106-V108 PolarHBondContact O-N 2.63Å; F106-C109 PolarHBondContact O-N 2.68Å; F106-H110 VanDerWaalsContact O-CB 3.32Å; F106-H110 WeakPolarHBondContact O-CB 3.38Å; F106-H110 PolarHBondContact O-N 2.99Å
107E93.4Very high89.4Confident110 Ų11077.7 Ų77.751%0.51439%0.386SS..Hα-helixtrans-58.7-43.3-179.8-67.8170.3-138.500112.1G103 Q104 K111G103-E107 PolarHBondContact O-N 3.47Å; G103-E107 VanDerWaalsContact O-N 3.13Å; Q104-E107 PolarHBondContact O-N 2.97Å; E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 VanDerWaalsContact O-CG 3.29Å; E107-K111 WeakPolarHBondContact O-CG 3.41Å; E107-K111 PolarHBondContact O-N 3.25Å; E107-K111 VanDerWaalsContact O-N 3.08Å
108V92.4Very high87.7Confident64 Ų6477.2 Ų77.239%0.38839%0.39SS..Hα-helixtrans-70.6-43.3177.9174.80000111.4T24 Q104 F106 H110 K111 L112T24-V108 HydrophobicContact CG2-CB 4.26Å; T24-V108 HydrophobicContact CG2-CG1 3.56Å; Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 2.99Å; F106-V108 VanDerWaalsContact C-N 3.32Å; F106-V108 PolarHBondContact O-N 2.63Å; V108-H110 VanDerWaalsContact C-N 3.35Å; V108-H110 PolarHBondContact O-N 3.12Å; V108-K111 PolarHBondContact O-N 3.5Å; V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 HydrophobicContact CG1-CG 4.33Å; V108-L112 WeakPolarHBondContact O-CB 3.5Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.14Å; V108-L112 PolarHBondContact O-N 3.47Å
109C90.7Very high85.9Confident37 Ų3783.3 Ų83.325%0.2542%0.418CS..Hα-helixtrans-61.2-42.7177-175.90000111.7I54 A105 F106 L112 S113I54-C109 HydrophobicContact CB-CB 4.37Å; I54-C109 HydrophobicContact CG2-CB 3.7Å; A105-C109 WeakPolarHBondContact O-CB 3.34Å; A105-C109 PolarHBondContact O-N 3.3Å; F106-C109 PolarHBondContact O-N 2.68Å; C109-L112 PolarHBondContact O-N 2.86Å; C109-S113 PolarHBondContact O-N 3.04Å
110H89.8Confident83.8Confident122 Ų12288 Ų8857%0.56544%0.442SS*.Hα-helixtrans-63.3-46.6176-176-123.7000112F106 V108 L112 S113 L114F106-H110 VanDerWaalsContact O-CB 3.32Å; F106-H110 WeakPolarHBondContact O-CB 3.38Å; F106-H110 PolarHBondContact O-N 2.99Å; V108-H110 VanDerWaalsContact C-N 3.35Å; V108-H110 PolarHBondContact O-N 3.12Å; H110-L112 PolarHBondContact O-N 2.91Å; H110-S113 PolarHBondContact O-N 3.1Å; H110-L114 WeakPolarHBondContact O-CG 3.12Å; H110-L114 PolarHBondContact O-N 2.96Å; H110-L114 VanDerWaalsContact O-N 3.08Å
111K90.4Very high81.6Confident128 Ų12884.3 Ų84.356%0.55745%0.447SS*.Hα-helixtrans-60.9-43.3176.4-75.3171.6179.2175.30112.5E107 V108 L114 Q115E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 VanDerWaalsContact O-CG 3.29Å; E107-K111 WeakPolarHBondContact O-CG 3.41Å; E107-K111 PolarHBondContact O-N 3.25Å; E107-K111 VanDerWaalsContact O-N 3.08Å; V108-K111 PolarHBondContact O-N 3.5Å; K111-L114 PolarHBondContact O-N 3.25Å; K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.05Å
112L86Confident79.4Confident90 Ų9089.3 Ų89.347%0.47147%0.472SS..Hα-helixtrans-63.2-39.6175.9-73.2169000112.2V108 C109 H110 Q115 H116V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 HydrophobicContact CG1-CG 4.33Å; V108-L112 WeakPolarHBondContact O-CB 3.5Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.14Å; V108-L112 PolarHBondContact O-N 3.47Å; C109-L112 PolarHBondContact O-N 2.86Å; H110-L112 PolarHBondContact O-N 2.91Å; L112-Q115 PolarHBondContact O-N 3.05Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.03Å
113S84Confident76.8Confident73 Ų7392.8 Ų92.851%0.5151%0.509SS..Hα-helixtrans-63.6-41.7176.4-165.80000112C109 H110 H116 T117C109-S113 PolarHBondContact O-N 3.04Å; H110-S113 PolarHBondContact O-N 3.1Å; S113-H116 PolarHBondContact O-N 2.9Å; S113-T117 PolarHBondContact O-N 2.98Å; S113-T117 PolarHBondContact O-OG1 3.49Å
114L81.3Confident74.4Confident84 Ų84100.6 Ų100.644%0.4454%0.537SS..Hα-helixtrans-64.7-43.3177-68.7170.5000111.9H110 K111 H116 T117 Q118H110-L114 WeakPolarHBondContact O-CG 3.12Å; H110-L114 PolarHBondContact O-N 2.96Å; H110-L114 VanDerWaalsContact O-N 3.08Å; K111-L114 PolarHBondContact O-N 3.25Å; L114-H116 PolarHBondContact O-N 3.17Å; L114-T117 PolarHBondContact O-N 3.34Å; L114-Q118 WeakPolarHBondContact O-CG 3.24Å; L114-Q118 PolarHBondContact O-N 2.97Å
115Q79.5Confident71.6Confident106 Ų10699.8 Ų99.850%0.49555%0.549SS..Hα-helixtrans-61.8-41.9175.7-73.7176.3-22.600112K111 L112 Q118 Q119K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.05Å; L112-Q115 PolarHBondContact O-N 3.05Å; Q115-Q118 PolarHBondContact O-N 2.86Å; Q115-Q119 WeakPolarHBondContact O-CB 3.34Å; Q115-Q119 WeakPolarHBondContact O-CG 3.49Å; Q115-Q119 PolarHBondContact O-N 3.27Å
116H67.1Low69Low120 Ų120105.9 Ų105.956%0.55658%0.581SS**Hα-helixtrans-64.3-40.8175.8-172.3-86.2000112L112 S113 L114 N120L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.03Å; S113-H116 PolarHBondContact O-N 2.9Å; L114-H116 PolarHBondContact O-N 3.17Å; H116-N120 PolarHBondContact CE1-ND2 3.03Å; H116-N120 VanDerWaalsContact CE1-ND2 3.27Å; H116-N120 PolarHBondContact ND1-ND2 2.74Å; H116-N120 PolarHBondContact O-N 2.85Å; H116-N120 PolarHBondContact O-ND2 2.94Å
117T68.6Low66.1Low93 Ų93109.7 Ų109.757%0.57161%0.613SS**Hα-helixtrans-63.1-40.9174.2-62.90000112S113 L114 N120S113-T117 PolarHBondContact O-N 2.98Å; S113-T117 PolarHBondContact O-OG1 3.49Å; L114-T117 PolarHBondContact O-N 3.34Å; T117-N120 PolarHBondContact O-N 2.87Å
118Q60.3Low63.4Low136 Ų136112.5 Ų112.564%0.63663%0.631SS**Hα-helixtrans-68.8-40.7178.7-72.6172.6-19.800112.6L114 Q115 N120 A121L114-Q118 WeakPolarHBondContact O-CG 3.24Å; L114-Q118 PolarHBondContact O-N 2.97Å; Q115-Q118 PolarHBondContact O-N 2.86Å; Q118-N120 PolarHBondContact O-N 2.95Å; Q118-A121 WeakPolarHBondContact O-CB 3.34Å; Q118-A121 PolarHBondContact O-N 3.19Å; Q118-A121 VanDerWaalsContact O-N 3.1Å
119Q56.6Low60.6Low153 Ų153112.9 Ų112.972%0.71565%0.649SS**Hα-helixtrans-67.8-18.2177.8-74.8179.8-22.500114.2Q115Q115-Q119 WeakPolarHBondContact O-CB 3.34Å; Q115-Q119 WeakPolarHBondContact O-CG 3.49Å; Q115-Q119 PolarHBondContact O-N 3.27Å
120N51.9Low58.1Low117 Ų117119.1 Ų119.163%0.62667%0.674SS**THydrogen-bonded Turntrans-891.5173.7-77.3-89.6000113.4H116 T117 Q118H116-N120 PolarHBondContact CE1-ND2 3.03Å; H116-N120 VanDerWaalsContact CE1-ND2 3.27Å; H116-N120 PolarHBondContact ND1-ND2 2.74Å; H116-N120 PolarHBondContact O-N 2.85Å; H116-N120 PolarHBondContact O-ND2 2.94Å; T117-N120 PolarHBondContact O-N 2.87Å; Q118-N120 PolarHBondContact O-N 2.95Å
121A49.4Very low55.8Low88 Ų88122.9 Ų122.973%0.72769%0.689SS**SBendtrans-101.2-13.117900000114.2Q118Q118-A121 WeakPolarHBondContact O-CB 3.34Å; Q118-A121 PolarHBondContact O-N 3.19Å; Q118-A121 VanDerWaalsContact O-N 3.1Å
122D50.6Low53Low154 Ų154124.7 Ų124.782%0.82471%0.705SS**SBendtrans-125.671.6-173.2-164.99.4000110.3
123G40.9Very low50.2Low77 Ų77124.2 Ų124.279%0.79472%0.721SS**  trans-137.343.9-158.600000115.5
124K45.5Very low47.6Very low184 Ų184124.4 Ų124.480%0.873%0.734SS**  trans-138.796.7163.7-175.5153.3-174163.50114.3D126K124-D126 WeakPolarHBondContact CE-OD2 3.39Å; K124-D126 IonicContact NZ-OD2 3.36Å
125A36.2Very low45Very low95 Ų95127.8 Ų127.879%0.78575%0.753SS**  trans-148.1110.4149.700000108.2
126D40.1Very low42.7Very low137 Ų137127.5 Ų127.573%0.73376%0.763SS**  trans-72.8132.2-179.6-62.5-80.6000110.9K124K124-D126 WeakPolarHBondContact CE-OD2 3.39Å; K124-D126 IonicContact NZ-OD2 3.36Å
127C34.1Very low40.8Very low135 Ų135126.2 Ų126.291%0.91277%0.768SS**  trans-145.791.5173-91.70000111.2
128N35.6Very low39Very low169 Ų169127.4 Ų127.490%0.90477%0.774SS**  trans-138.4127.2168.1-17627.3000108.4
129G33.8Very low37.5Very low73 Ų73129 Ų12975%0.75379%0.787SS**  trans165.999-173.500000113.1
130E39.3Very low36.1Very low168 Ų168125 Ų12579%0.78579%0.785SS**  trans-65.9149-175.6-50.9145.671.400114.3
131K40.7Very low35.5Very low201 Ų201125.4 Ų125.487%0.87480%0.795SS**  -177.5167.8110.9-100.2158.1-173.91660115.9
132N30.8Very low34.2Very low166 Ų166125 Ų12589%0.88879%0.792SS**  trans-72.2139.3-178.1-89.9-31.6000114.5
133G28.8Very low33.1Very low80 Ų80128.7 Ų128.783%0.82579%0.794SS**  88.1132.9116.300000119.5
134G29.3Very low32.2Very low76 Ų76132.7 Ų132.778%0.78479%0.792SS**  trans127.593.6157.800000116.4
135D25.7Very low31.3Very low155 Ų155131 Ų13183%0.82979%0.791SS**  trans41.7112.8131.8-154.5-120.1000121.7
136S31.1Very low30.7Very low101 Ų101130.7 Ų130.771%0.70678%0.78SS**  trans87.1142.4130.4-156.10000123.5
137S28.6Very low30.1Very low93 Ų93126.3 Ų126.365%0.6577%0.766SS**  trans84.596.5139.8-171.80000123
138V29.8Very low29.7Very low118 Ų118123.8 Ų123.872%0.71576%0.755SS**  76125.3123.4176.40000120.7
139L29.2Very low29.3Very low170 Ų170124.6 Ų124.689%0.8975%0.754SS**  trans66.3144.3160.6-70.8164.5000119.1
140G27.1Very low28.9Very low67 Ų67131 Ų13169%0.69176%0.76SS**  trans-85-171.8163.100000111.8
141P38.7Very low28.7Very low126 Ų126126.8 Ų126.882%0.81876%0.755SS**  -153.7-171.469.642.6-23.4000116.2
142A23.3Very low28.3Very low81 Ų81122.9 Ų122.967%0.66975%0.75SS**  trans59.8133.7143.100000123.1
143R26.8Very low28.3Very low230 Ų230119.4 Ų119.487%0.86874%0.744SS**  trans31.8132133.1-49.2174163.9-167.7-5.7118.3
144E22.4Very low28.2Very low161 Ų161120.7 Ų120.775%0.75274%0.74SS**  -166154.267.4-80-178.576.500109.6
145L26.1Very low28.2Very low150 Ų150123.9 Ų123.979%0.78574%0.744SS**  46.7141.4106.1-46177.1000115.9
146T24.3Very low28.4Very low88 Ų88120 Ų12054%0.5473%0.734SS.*  cis-153.3167.50.6-145.60000108.7R656T146-R656 PolarHBondContact OG1-NH1 3.25Å
147G25.7Very low28.5Very low44 Ų44123.6 Ų123.645%0.45474%0.74SS.*  cis135.986.8-12.300000115.5R656G147-R656 PolarHBondContact O-NH1 3.25Å; G147-R656 PolarHBondContact O-NH2 2.67Å
148A27.2Very low28.6Very low82 Ų82126.3 Ų126.368%0.67874%0.742SS**  trans166127.4163.200000106.8
149E26.2Very low28.9Very low187 Ų187126.1 Ų126.187%0.87474%0.741SS**  70.3102.169.5-85.1-151.796.400116.9
150K26.3Very low29Very low206 Ų206125.1 Ų125.190%0.89674%0.737SS**  -166.4141.5115.5-120.5-177.9178.4178.10114.1
151A34.1Very low29.4Very low81 Ų81128.8 Ų128.867%0.66974%0.739SS**  trans-99.1159.5152.300000108.9
152P33.6Very low29.3Very low119 Ų119130.4 Ų130.477%0.77374%0.741SS**  -136.3167.981.835.7-20.2000113.1
153A29.9Very low30Very low92 Ų92131.2 Ų131.276%0.7675%0.748SS**  cis90.864.91700000117.8
154S26.5Very low30.5Very low107 Ų107129.1 Ų129.175%0.74875%0.748SS**  trans-168.1127.5154.348.60000108.1
155V29.8Very low31Very low143 Ų143129 Ų12987%0.86775%0.752SS**  cis96.2133.744.5167.30000112.1
156A29.6Very low31.2Very low74 Ų74127.1 Ų127.161%0.61275%0.747SS**  trans76130.6177.700000115.1
157E33.6Very low31.5Very low177 Ų177128.6 Ų128.683%0.82776%0.756SS**  81.5138.675.7-74.2-177.8159.300112.7
158E31.2Very low31.6Very low150 Ų150135.4 Ų135.470%0.70178%0.775SS**  cis-141.9-174.6-8.5-81.3-132.996.500110.5
159T36.4Very low31.8Very low113 Ų113136.6 Ų136.669%0.69377%0.774SS**  trans-37.2153.417457.70000121.5
160D30.4Very low32.3Very low149 Ų149133.4 Ų133.480%0.79777%0.77SS**  112.5156.6124.7-138.53.2000121.6
161I35.9Very low32.2Very low145 Ų145129.6 Ų129.674%0.74476%0.764SS**  trans79.7135.6163.9-55.1-178.3000119
162D37Very low32.1Very low160 Ų160129.9 Ų129.986%0.85677%0.766SS**  trans-62.4153.6175.5-65.9-75.8000114.4
163A36.8Very low31.9Very low98 Ų98132.8 Ų132.881%0.8177%0.769SS**  trans-123.7116.2162.300000109.7
164E38.8Very low32Very low185 Ų185135 Ų13586%0.86477%0.768SS**  trans-69.1147.3159.8-61.8-165.5141.800109.2
165D31.5Very low32.3Very low159 Ų159137.5 Ų137.585%0.8577%0.772SS**  trans-123133.4162.9-17018.8000110.1
166V31.4Very low32.3Very low111 Ų111138.5 Ų138.567%0.67377%0.773SS**  trans-101.3114.5-171.2172.40000109.3Q168V166-Q168 PolarHBondContact O-N 3.03Å
167V29.4Very low32.4Very low119 Ų119141.5 Ų141.572%0.72178%0.778SS**  trans-52.6125.1178.9173.90000112.3V169V167-V169 HydrophobicContact CG1-CG2 3.53Å
168Q28.9Very low33Very low186 Ų186140.1 Ų140.187%0.86978%0.776SS**  trans-125.3149.3154.1-66.6-162.630.200110.7V166V166-Q168 PolarHBondContact O-N 3.03Å
169V31Very low33.1Very low107 Ų107145.1 Ų145.165%0.64879%0.789SS**  trans-140.8146.6-158.6163.50000110.6V167 T171V167-V169 HydrophobicContact CG1-CG2 3.53Å; V169-T171 VanDerWaalsContact CG1-N 3.25Å
170P36.8Very low32.7Very low121 Ų121142.8 Ų142.879%0.78679%0.788SS**  trans-118.6117.4134.7-0.121.1000110.1
171T24.1Very low32.8Very low126 Ų126142.2 Ų142.277%0.77379%0.789SS**  74.1112.883-57.80000111V169V169-T171 VanDerWaalsContact CG1-N 3.25Å
172A31.1Very low32.7Very low86 Ų86141.7 Ų141.771%0.71179%0.793SS**  cis-134.6-160.21.400000108.9
173E30.9Very low32.5Very low180 Ų180141.2 Ų141.284%0.84179%0.79SS**  cis-156155.313.814.9-170129.300111.7
174D30.7Very low32.5Very low139 Ų139145.1 Ų145.174%0.74380%0.796SS**  trans59.3104.2157.6-81.618.9000124.6
175L32.4Very low32.4Very low159 Ų159143.1 Ų143.183%0.83279%0.792SS**  trans81.1101134.9-52.3-173000119.8
176N29.6Very low32.5Very low164 Ų164140 Ų14088%0.87779%0.788SS**  trans-93169.9170.8-150.1-20.6000112.2
177L32.8Very low32.6Very low138 Ų138140.5 Ų140.572%0.72379%0.791SS**  trans-96.8158.8-169.5-69.5161000115.1
178N45.4Very low32.8Very low148 Ų148139.4 Ų139.479%0.79180%0.795SS**  trans79.9160149.9-61.5-42.8000121.1
179R33.4Very low32.9Very low254 Ų254139.7 Ų139.796%0.95879%0.793SS**  trans82.8123.8162.8-147.1-177.4-154.7177.25.5115.6
180G29.4Very low32.9Very low65 Ų65140.7 Ų140.767%0.6780%0.8SS**  cis153.2160.9-13.600000114.1
181V32.1Very low33.3Very low137 Ų137140.7 Ų140.783%0.8380%0.8SS**  trans82139.6165.1-1710000118
182T32.3Very low33.4Very low133 Ų133141.7 Ų141.782%0.81680%0.8SS**  trans69.4133.5167.433.50000121
183D34.3Very low33.7Very low151 Ų151144.2 Ų144.281%0.80780%0.801SS**  trans-85.3156.4175-40.1-102.4000112.8
184L35.4Very low33.6Very low179 Ų179141 Ų14194%0.93779%0.794SS**  trans-158.3140.9130.5-136.169.6000111.2
185D36.6Very low33.5Very low144 Ų144142.3 Ų142.377%0.7780%0.795SS**  trans-92.5158.6-178.5-170.515000112
186A33.6Very low33.3Very low92 Ų92140.8 Ų140.876%0.7679%0.793SS**  trans-142.569.7-169.900000113.8
187T35.2Very low33.7Very low123 Ų123137.9 Ų137.976%0.75578%0.783SS**  trans-124.1122.5168.658.60000114.2
188A32.8Very low33.4Very low96 Ų96138.4 Ų138.479%0.79379%0.786SS**  trans34.393.1155.500000122.3
189K31.8Very low33.8Very low192 Ų192137 Ų13784%0.83579%0.786SS**  37.4121.9126.7-72.2-175.4175.4-1790121.9
190T30.6Very low34Very low128 Ų128130.2 Ų130.279%0.78577%0.774SS**  trans72.3155.8136.262.30000120.3
191P44.4Very low34Very low121 Ų121135.9 Ų135.979%0.78678%0.784SS**  -139.4-165.7-5041.8-24.9000113.5
192D26.3Very low34.4Very low146 Ų146138 Ų13878%0.78178%0.784SS**  trans108171.5153.8-142.22.7000119.2
193L37.1Very low34.6Very low140 Ų140137.8 Ų137.873%0.73379%0.785SS**  trans-115.8157.6-138.8-73.2163.1000118.4
194T29.4Very low34.8Very low112 Ų112134.6 Ų134.669%0.68778%0.775SS**  trans71.6122.2146.643.30000123.9
195Q28.8Very low34.7Very low166 Ų166134.6 Ų134.678%0.77678%0.775SS**  trans70.1107.4136.3-63.4-178.236.100122.6
196T28.8Very low34.7Very low128 Ų128134.7 Ų134.779%0.78578%0.775SS**  50.1152.9129.960.90000123.1
197P37Very low34.8Very low102 Ų102138.9 Ų138.966%0.66278%0.78SS**  cis-135.3173.6-16.239-21.5000116.2
198N26.9Very low34.9Very low149 Ų149138.7 Ų138.780%0.79778%0.784SS**  trans75.7-178.3167.4-48.8-34.8000115.8
199P52.8Low35.2Very low119 Ų119138.8 Ų138.877%0.77378%0.779SS**  -104.6-178-1249.617.7000113
200P39.4Very low35.3Very low111 Ų111135.3 Ų135.372%0.72178%0.776SS**  cis-142.8-161.124.329.5-1.6000116.5
201E29.1Very low35.5Very low185 Ų185139.7 Ų139.786%0.86478%0.778SS**  trans90.2145.7156.8-48-160.6159.700120.8
202E39.5Very low35.5Very low180 Ų180141.1 Ų141.184%0.84178%0.776SS**  trans-105.7150.4178.2-62.7-175.4152.100111.7
203P37.9Very low36Very low130 Ų130141.5 Ų141.584%0.84478%0.777SS**  trans-103.5101.5158.133.9-25.6000111.6
204S38Very low36.4Very low83 Ų83141.2 Ų141.258%0.5878%0.776SS**  trans-78.9126.1173.557.50000112.4L206S204-L206 PolarHBondContact O-N 3.45Å
205L32.4Very low37Very low180 Ų180139.8 Ų139.894%0.94277%0.769SS**  trans-91.697.1168.7-70.8-178.7000110.6M207L205-M207 PolarHBondContact O-N 2.94Å
206L36.5Very low37.4Very low146 Ų146135.8 Ų135.876%0.76476%0.764SS**  trans-79.1116.3177.8-65.2173.5000111.1S204 S208S204-L206 PolarHBondContact O-N 3.45Å; L206-S208 PolarHBondContact O-N 3.22Å
207M36.6Very low38.6Very low179 Ų179136.2 Ų136.288%0.88277%0.772SS**  trans-59.2137.4159.4-73.4-152.579.300109.8L205 S209L205-M207 PolarHBondContact O-N 2.94Å; M207-S209 VanDerWaalsContact C-N 3.27Å; M207-S209 PolarHBondContact O-N 3.32Å
208S37.3Very low39.2Very low119 Ų119134.4 Ų134.483%0.83277%0.772SS**  trans-73.271.2-170.442.70000113.4L206L206-S208 PolarHBondContact O-N 3.22Å
209S38Very low39.8Very low99 Ų99134 Ų13469%0.69278%0.775SS**  trans-52.5131.6161.7-178.60000109.7M207 R211M207-S209 VanDerWaalsContact C-N 3.27Å; M207-S209 PolarHBondContact O-N 3.32Å; S209-R211 VanDerWaalsContact C-N 3.34Å; S209-R211 PolarHBondContact O-N 3.43Å
210P34.8Very low39.5Very low118 Ų118135.6 Ų135.677%0.76678%0.776SS**  trans-60.799.1168.3-2032.4000108.6M212P210-M212 PolarHBondContact O-N 2.97Å
211R34.7Very low39.8Very low220 Ų220135 Ų13583%0.8377%0.772SS**  trans-52.5118.7176.4-122.3179175128.4-3.6107.1S209 L213S209-R211 VanDerWaalsContact C-N 3.34Å; S209-R211 PolarHBondContact O-N 3.43Å; R211-L213 PolarHBondContact O-N 3.36Å
212M45.5Very low40.8Very low152 Ų152132.4 Ų132.475%0.74977%0.772SS**  trans-66.291.2169.3-70.9-147.1-46.100108.1P210 L214P210-M212 PolarHBondContact O-N 2.97Å; M212-L214 PolarHBondContact O-N 3.01Å
213L36.7Very low41.7Very low153 Ų153127.6 Ų127.680%0.80177%0.77SS**  trans-67.883.4157.8-65.4-178.4000107.1R211R211-L213 PolarHBondContact O-N 3.36Å
214L45.3Very low42.8Very low135 Ų135124.7 Ų124.771%0.70776%0.757SS**  trans-43.8130.5145.5-69.8166.5000107.1M212 A216M212-L214 PolarHBondContact O-N 3.01Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.99Å
215P40.4Very low44.1Very low82 Ų82124.3 Ų124.353%0.53275%0.753SS.*  trans-60.2100163.1-20.232.7000107.6
216A37.7Very low45.8Very low82 Ų82123.1 Ų123.168%0.67875%0.746SS**  trans-59.7143.6170.300000108.3L214 G218L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.99Å; A216-G218 PolarHBondContact O-N 3.35Å
217S54.4Low47.7Very low137 Ų137119.6 Ų119.696%0.95873%0.734SS**SBendtrans-70.2107.9174.9-57.90000109.6
218G48.7Very low49.8Very low63 Ų63115.8 Ų115.865%0.64972%0.716SS**  trans129.8131.8-176.900000110.5A216A216-G218 PolarHBondContact O-N 3.35Å
219T40.9Very low52Low140 Ų140116.8 Ų116.886%0.85971%0.706SS**  cis-126163.711.1510000112.8P221T219-P221 WeakPolarHBondContact O-CD 3.49Å
220L46.3Very low54.2Low154 Ų154117.7 Ų117.781%0.80670%0.699SS**PPolyproline II helixtrans-79.5125.4177.9-91.9155.1000111.9P222L220-P222 WeakPolarHBondContact O-CD 3.33Å
221P44.3Very low56.8Low97 Ų97117.3 Ų117.363%0.6369%0.689SS**PPolyproline II helixtrans-78.3117.4142.431.2-27.8000108.5T219 G223T219-P221 WeakPolarHBondContact O-CD 3.49Å; P221-G223 PolarHBondContact O-N 3.3Å
222P50.6Low59.1Low132 Ų132109.8 Ų109.886%0.85767%0.67SS**THydrogen-bonded Turntrans-65.2122.5-179.2-2234.2000112.1L220L220-P222 WeakPolarHBondContact O-CD 3.33Å
223G57.8Low61.1Low78 Ų78106.1 Ų106.180%0.80465%0.651SS**THydrogen-bonded Turntrans121.3-10.8165.800000117.5P221P221-G223 PolarHBondContact O-N 3.3Å
224A61.4Low63.6Low69 Ų69103 Ų10357%0.5764%0.635SS**  trans-74.6127.9177.100000111.8
225P66.6Low65.8Low76 Ų76101.6 Ų101.649%0.49463%0.628SS.*  trans-69.2141.3179.126.7-34.1000112.3S227 I228P225-S227 PolarHBondContact O-N 3.39Å; P225-I228 HydrophobicContact CG-CD1 3.8Å; P225-I228 HydrophobicContact CG-CG1 4.13Å; P225-I228 PolarHBondContact O-N 3.13Å
226L67.9Low68.4Low154 Ų154102.2 Ų102.281%0.80663%0.626SS**Hα-helixtrans-55.8-23.8-173.6-63.1172.6000114.6I228 F229 H230L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.27Å; L226-F229 PolarHBondContact O-N 2.99Å; L226-H230 PolarHBondContact O-N 2.95Å
227S76Confident70.9Confident72 Ų72103.5 Ų103.550%0.50362%0.618SS.*Hα-helixtrans-60.2-39.6174.449.30000112.9P225 H230 I231P225-S227 PolarHBondContact O-N 3.39Å; S227-H230 PolarHBondContact O-N 2.86Å; S227-I231 WeakPolarHBondContact O-CD1 3.32Å; S227-I231 VanDerWaalsContact O-CG1 3.27Å; S227-I231 WeakPolarHBondContact O-CG1 3.39Å; S227-I231 PolarHBondContact O-N 3.06Å
228I80.5Confident72.7Confident100 Ų100102.5 Ų102.551%0.51360%0.601SS.*Hα-helixtrans-67.9-38.7-178.1-61.4177.7000110.7P225 L226 I231 S232P225-I228 HydrophobicContact CG-CD1 3.8Å; P225-I228 HydrophobicContact CG-CG1 4.13Å; P225-I228 PolarHBondContact O-N 3.13Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.27Å; I228-I231 PolarHBondContact O-N 3.21Å; I228-S232 WeakPolarHBondContact O-CB 3.32Å; I228-S232 PolarHBondContact O-N 3Å
229F83Confident74.8Confident140 Ų140104.4 Ų104.461%0.61460%0.595SS**Hα-helixtrans-61.3-44.9174.3-179.7-99.2000111.6L226 S232 Q233L226-F229 PolarHBondContact O-N 2.99Å; F229-S232 PolarHBondContact O-N 3.31Å; F229-Q233 PolarHBondContact O-N 2.95Å
230H84.1Confident77.2Confident118 Ų118102.1 Ų102.155%0.54658%0.575SS.*Hα-helixtrans-65-40.5177.6-171.957.9000112.8L226 S227 Q233 L234L226-H230 PolarHBondContact O-N 2.95Å; S227-H230 PolarHBondContact O-N 2.86Å; H230-Q233 PolarHBondContact O-N 3.38Å; H230-L234 PolarHBondContact O-N 3.3Å
231I90.1Very high78.8Confident110 Ų11098.3 Ų98.356%0.56456%0.561SS**Hα-helixtrans-62.9-43.2175.4-69.5163.1000111S227 I228 L234 L235S227-I231 WeakPolarHBondContact O-CD1 3.32Å; S227-I231 VanDerWaalsContact O-CG1 3.27Å; S227-I231 WeakPolarHBondContact O-CG1 3.39Å; S227-I231 PolarHBondContact O-N 3.06Å; I228-I231 PolarHBondContact O-N 3.21Å; I231-L234 PolarHBondContact O-N 3.06Å; I231-L235 PolarHBondContact O-N 2.75Å
232S83.3Confident80.8Confident62 Ų6296.7 Ų96.743%0.43456%0.556SS.*Hα-helixtrans-61.2-45175.6-172.80000111.9I228 F229 L234 L235 L236I228-S232 WeakPolarHBondContact O-CB 3.32Å; I228-S232 PolarHBondContact O-N 3Å; F229-S232 PolarHBondContact O-N 3.31Å; S232-L234 VanDerWaalsContact C-N 3.34Å; S232-L234 PolarHBondContact O-N 2.84Å; S232-L235 PolarHBondContact O-N 3.46Å; S232-L236 WeakPolarHBondContact O-CG 3.29Å; S232-L236 PolarHBondContact O-N 3.35Å
233Q86.8Confident82.7Confident75 Ų7592.6 Ų92.635%0.3553%0.533SS..Hα-helixtrans-62.6-39.4176.9-17063.936.500112.4F229 H230 Q237F229-Q233 PolarHBondContact O-N 2.95Å; H230-Q233 PolarHBondContact O-N 3.38Å; Q233-Q237 WeakPolarHBondContact O-CB 3.44Å; Q233-Q237 PolarHBondContact O-N 3.29Å
234L89.3Confident84.1Confident86 Ų8692.9 Ų92.945%0.4552%0.515SS..Hα-helixtrans-64.4-43.3173.4-87.4160.7000112.2H230 I231 S232 Q237 L238H230-L234 PolarHBondContact O-N 3.3Å; I231-L234 PolarHBondContact O-N 3.06Å; S232-L234 VanDerWaalsContact C-N 3.34Å; S232-L234 PolarHBondContact O-N 2.84Å; L234-Q237 PolarHBondContact O-N 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.35Å
235L92.7Very high85Confident107 Ų10792.5 Ų92.556%0.5651%0.507SS*.Hα-helixtrans-61.8-46.1178.2-167.674.3000111.4I231 S232 Q237 L238 I239I231-L235 PolarHBondContact O-N 2.75Å; S232-L235 PolarHBondContact O-N 3.46Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 3.31Å; L235-I239 HydrophobicContact CG-CD1 4.13Å; L235-I239 WeakPolarHBondContact O-CG1 3.31Å; L235-I239 PolarHBondContact O-N 3.5Å
236L93.1Very high86Confident95 Ų9592.1 Ų92.150%0.49751%0.507SS..Hα-helixtrans-60.4-41.3174.6-72.6168.2000112S232 I239 H240S232-L236 WeakPolarHBondContact O-CG 3.29Å; S232-L236 PolarHBondContact O-N 3.35Å; L236-I239 PolarHBondContact O-N 3.49Å; L236-H240 WeakPolarHBondContact O-CB 3.5Å; L236-H240 PolarHBondContact O-N 3.27Å
237Q92.1Very high87.3Confident108 Ų10891.3 Ų91.351%0.50550%0.497SS..Hα-helixtrans-66.4-35.9177.8-172.558.666.800112.7Q233 L234 L235 S241Q233-Q237 WeakPolarHBondContact O-CB 3.44Å; Q233-Q237 PolarHBondContact O-N 3.29Å; L234-Q237 PolarHBondContact O-N 3.31Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.48Å; Q237-S241 WeakPolarHBondContact O-CB 3.39Å; Q237-S241 PolarHBondContact O-N 2.97Å
238L91.8Very high88.1Confident117 Ų11792.6 Ų92.661%0.61350%0.501SS*.Hα-helixtrans-68.4-46.2174.4-72.8167.6000111.7L234 L235 H240 S241 A242L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.35Å; L235-L238 PolarHBondContact O-N 3.31Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 3.08Å; L238-S241 PolarHBondContact O-N 3.5Å; L238-A242 PolarHBondContact O-N 2.93Å
239I92.1Very high88.4Confident103 Ų10395.8 Ų95.853%0.52851%0.507SS..Hα-helixtrans-60.3-44176.3-67.9164.8000110.6L235 L236 A242 A243L235-I239 HydrophobicContact CG-CD1 4.13Å; L235-I239 WeakPolarHBondContact O-CG1 3.31Å; L235-I239 PolarHBondContact O-N 3.5Å; L236-I239 PolarHBondContact O-N 3.49Å; I239-A242 PolarHBondContact O-N 2.97Å; I239-A243 WeakPolarHBondContact O-CB 3.33Å; I239-A243 PolarHBondContact O-N 2.94Å
240H91.4Very high89Confident91 Ų9192.8 Ų92.842%0.42150%0.5SS..Hα-helixtrans-61.9-44.2176.3-172-176.2000111.8L236 L238 A242 A243 M244L236-H240 WeakPolarHBondContact O-CB 3.5Å; L236-H240 PolarHBondContact O-N 3.27Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 3.08Å; H240-A242 PolarHBondContact O-N 3.35Å; H240-A243 PolarHBondContact O-N 3Å; H240-M244 WeakPolarHBondContact O-CG 3.42Å; H240-M244 PolarHBondContact O-N 3.45Å
241S80.1Confident89.6Confident75 Ų7590 Ų9052%0.52450%0.497SS..Hα-helixtrans-61.1-44.7176.7-168.10000112.3Q237 L238 A243 M244 S245Q237-S241 WeakPolarHBondContact O-CB 3.39Å; Q237-S241 PolarHBondContact O-N 2.97Å; L238-S241 PolarHBondContact O-N 3.5Å; S241-A243 PolarHBondContact O-N 3.24Å; S241-M244 PolarHBondContact O-N 2.93Å; S241-S245 PolarHBondContact O-N 3.02Å
242A85.8Confident89.8Confident63 Ų6389.5 Ų89.552%0.52149%0.493SS..Hα-helixtrans-62.4-42.8175.800000112.3L238 I239 H240 S245 S246L238-A242 PolarHBondContact O-N 2.93Å; I239-A242 PolarHBondContact O-N 2.97Å; H240-A242 PolarHBondContact O-N 3.35Å; A242-S245 PolarHBondContact O-N 2.87Å; A242-S246 PolarHBondContact O-N 3.38Å
243A90.2Very high90.5Very high45 Ų4591.1 Ų91.137%0.37250%0.499SS..Hα-helixtrans-65.4-36.9177.400000113I239 H240 S241 K247I239-A243 WeakPolarHBondContact O-CB 3.33Å; I239-A243 PolarHBondContact O-N 2.94Å; H240-A243 PolarHBondContact O-N 3Å; S241-A243 PolarHBondContact O-N 3.24Å; A243-K247 WeakPolarHBondContact O-CG 3.38Å; A243-K247 PolarHBondContact O-N 2.93Å
244M87.8Confident91Very high85 Ų8592.6 Ų92.642%0.41951%0.506SS..Hα-helixtrans-67.9-43.4173.6-71.1-57.311200111.9H240 S241 S246 K247 V248H240-M244 WeakPolarHBondContact O-CG 3.42Å; H240-M244 PolarHBondContact O-N 3.45Å; S241-M244 PolarHBondContact O-N 2.93Å; M244-S246 PolarHBondContact O-N 3.44Å; M244-K247 HydrophobicContact CE-CD 4.09Å; M244-K247 PolarHBondContact O-N 2.97Å; M244-V248 PolarHBondContact O-N 2.9Å
245S80.3Confident91.4Very high60 Ų6094.1 Ų94.142%0.4251%0.514SS..Hα-helixtrans-56.2-50.9174.6-175.90000111.2S241 A242 K247 V248 W249S241-S245 PolarHBondContact O-N 3.02Å; A242-S245 PolarHBondContact O-N 2.87Å; S245-K247 VanDerWaalsContact C-N 3.31Å; S245-K247 PolarHBondContact O-N 3.3Å; S245-V248 WeakPolarHBondContact O-CB 3.46Å; S245-V248 PolarHBondContact O-N 3.48Å; S245-W249 PolarHBondContact O-N 3.39Å; S245-W249 VanDerWaalsContact O-N 3.08Å; S245-W249 PolarHBondContact OG-NE1 3.08Å
246S88.5Confident91.6Very high69 Ų6993.7 Ų93.748%0.48351%0.512SS..Hα-helixtrans-54.1-43.5178.7-177.10000113A242 M244 V248 W249 V250A242-S246 PolarHBondContact O-N 3.38Å; M244-S246 PolarHBondContact O-N 3.44Å; S246-V248 VanDerWaalsContact C-N 3.32Å; S246-V248 PolarHBondContact O-N 3.45Å; S246-W249 PolarHBondContact O-N 3.35Å; S246-V250 WeakPolarHBondContact O-CG2 3.42Å; S246-V250 PolarHBondContact O-N 3.46Å
247K93.8Very high91.8Very high137 Ų13796 Ų9660%0.59652%0.518SS*.Hα-helixtrans-61.1-36.8176.5-71.1177.8-178.4-169.80113.2A243 M244 S245 A251A243-K247 WeakPolarHBondContact O-CG 3.38Å; A243-K247 PolarHBondContact O-N 2.93Å; M244-K247 HydrophobicContact CE-CD 4.09Å; M244-K247 PolarHBondContact O-N 2.97Å; S245-K247 VanDerWaalsContact C-N 3.31Å; S245-K247 PolarHBondContact O-N 3.3Å; K247-A251 WeakPolarHBondContact O-CB 3.43Å; K247-A251 PolarHBondContact O-N 2.87Å
248V93Very high92.1Very high98 Ų9895.2 Ų95.259%0.59452%0.517SS*.Hα-helixtrans-69.3-43.7176.5177.10000111.1M244 S245 S246 A251 Q252M244-V248 PolarHBondContact O-N 2.9Å; S245-V248 WeakPolarHBondContact O-CB 3.46Å; S245-V248 PolarHBondContact O-N 3.48Å; S246-V248 VanDerWaalsContact C-N 3.32Å; S246-V248 PolarHBondContact O-N 3.45Å; V248-A251 PolarHBondContact O-N 3.37Å; V248-Q252 WeakPolarHBondContact O-CB 3.5Å; V248-Q252 PolarHBondContact O-N 2.77Å
249W87.4Confident92.3Very high167 Ų16795.7 Ų95.763%0.63352%0.516SS*.Hα-helixtrans-61.5-43.8175.2-74102.3000112.2S245 S246 Q252 V253S245-W249 PolarHBondContact O-N 3.39Å; S245-W249 VanDerWaalsContact O-N 3.08Å; S245-W249 PolarHBondContact OG-NE1 3.08Å; S246-W249 PolarHBondContact O-N 3.35Å; W249-Q252 PolarHBondContact O-N 3.46Å; W249-V253 WeakPolarHBondContact O-CG2 3.17Å; W249-V253 PolarHBondContact O-N 2.96Å
250V95.8Very high92.6Very high77 Ų7796.4 Ų96.447%0.46752%0.52SS..Hα-helixtrans-61.1-47.4175.6170.30000111S246 Q252 V253 H254S246-V250 WeakPolarHBondContact O-CG2 3.42Å; S246-V250 PolarHBondContact O-N 3.46Å; V250-Q252 VanDerWaalsContact C-N 3.29Å; V250-Q252 PolarHBondContact O-N 3.05Å; V250-V253 PolarHBondContact O-N 2.98Å; V250-V253 VanDerWaalsContact O-N 3.15Å; V250-H254 PolarHBondContact O-CD2 3.28Å; V250-H254 PolarHBondContact O-N 3.34Å
251A95.4Very high92.8Very high59 Ų5995.1 Ų95.149%0.48852%0.522SS..Hα-helixtrans-60.2-37.3176.900000112.7K247 V248 H254 L255K247-A251 WeakPolarHBondContact O-CB 3.43Å; K247-A251 PolarHBondContact O-N 2.87Å; V248-A251 PolarHBondContact O-N 3.37Å; A251-H254 PolarHBondContact O-N 3.06Å; A251-L255 PolarHBondContact O-N 2.86Å
252Q95.6Very high93.6Very high101 Ų10194.1 Ų94.147%0.47252%0.518SS..Hα-helixtrans-67-39.6175-173.4175.73.100112.4V248 W249 V250 L255 L256V248-Q252 WeakPolarHBondContact O-CB 3.5Å; V248-Q252 PolarHBondContact O-N 2.77Å; W249-Q252 PolarHBondContact O-N 3.46Å; V250-Q252 VanDerWaalsContact C-N 3.29Å; V250-Q252 PolarHBondContact O-N 3.05Å; Q252-L255 PolarHBondContact O-N 3.02Å; Q252-L256 HydrophobicContact CG-CD1 4.31Å; Q252-L256 WeakPolarHBondContact O-CG 3.41Å; Q252-L256 PolarHBondContact O-N 3.47Å
253V97.1Very high94.2Very high95 Ų9595.4 Ų95.458%0.57651%0.513SS*.Hα-helixtrans-66-40.3175.5170.70000111.4W249 V250 L256 K257W249-V253 WeakPolarHBondContact O-CG2 3.17Å; W249-V253 PolarHBondContact O-N 2.96Å; V250-V253 PolarHBondContact O-N 2.98Å; V250-V253 VanDerWaalsContact O-N 3.15Å; V253-L256 PolarHBondContact O-N 3.35Å; V253-K257 WeakPolarHBondContact O-CB 3.42Å; V253-K257 PolarHBondContact O-N 3.36Å
254H97.1Very high94.5Very high107 Ų10795.8 Ų95.850%0.49552%0.516SS..Hα-helixtrans-60.7-50.3173-86.2-87.7000111.8V250 A251 L256 K257 D258V250-H254 PolarHBondContact O-CD2 3.28Å; V250-H254 PolarHBondContact O-N 3.34Å; A251-H254 PolarHBondContact O-N 3.06Å; H254-L256 VanDerWaalsContact C-N 3.28Å; H254-L256 PolarHBondContact O-N 3.02Å; H254-K257 WeakPolarHBondContact O-CA 3.3Å; H254-K257 WeakPolarHBondContact O-CB 3.34Å; H254-K257 PolarHBondContact O-N 3.01Å; H254-D258 VanDerWaalsContact O-CG 3.25Å; H254-D258 PolarHBondContact O-N 2.98Å
255L97.5Very high95Very high118 Ų11896.3 Ų96.362%0.61852%0.524SS*.Hα-helixtrans-57.3-39.5178-179.362.5000112.8A251 Q252 Q259A251-L255 PolarHBondContact O-N 2.86Å; Q252-L255 PolarHBondContact O-N 3.02Å; L255-Q259 WeakPolarHBondContact O-CB 3.5Å; L255-Q259 PolarHBondContact O-N 2.92Å
256L97.8Very high95.8Very high98 Ų9895.8 Ų95.851%0.51352%0.524SS..Hα-helixtrans-70-34.4176-71171000112.7Q252 V253 H254 L260Q252-L256 HydrophobicContact CG-CD1 4.31Å; Q252-L256 WeakPolarHBondContact O-CG 3.41Å; Q252-L256 PolarHBondContact O-N 3.47Å; V253-L256 PolarHBondContact O-N 3.35Å; H254-L256 VanDerWaalsContact C-N 3.28Å; H254-L256 PolarHBondContact O-N 3.02Å; L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 PolarHBondContact O-N 3.28Å
257K97.6Very high96.2Very high144 Ų14499.1 Ų99.163%0.62653%0.526SS*.Hα-helixtrans-66.9-43.4173.8-177.1178.7177.6-179.70111.4V253 H254 L260 S261V253-K257 WeakPolarHBondContact O-CB 3.42Å; V253-K257 PolarHBondContact O-N 3.36Å; H254-K257 WeakPolarHBondContact O-CA 3.3Å; H254-K257 WeakPolarHBondContact O-CB 3.34Å; H254-K257 PolarHBondContact O-N 3.01Å; K257-L260 PolarHBondContact O-N 3.08Å; K257-S261 PolarHBondContact O-N 3.35Å; K257-S261 PolarHBondContact O-OG 3.26Å
258D97.6Very high96.4Very high91 Ų9198.3 Ų98.349%0.48753%0.528SS..Hα-helixtrans-70.9-34.2-179.9-60.1-22.2000111.3H254 S261 A262H254-D258 VanDerWaalsContact O-CG 3.25Å; H254-D258 PolarHBondContact O-N 2.98Å; D258-S261 WeakPolarHBondContact CA-OG 3.4Å; D258-S261 PolarHBondContact O-OG 3.21Å; D258-S261 VanDerWaalsContact O-OG 3.04Å; D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.02Å; D258-A262 VanDerWaalsContact O-N 3.08Å
259Q97.1Very high96.6Very high126 Ų12698.4 Ų98.459%0.58952%0.522SS*.Hα-helixtrans-65.1-40.4169.1-175178.5-5.600111.8L255 E263L255-Q259 WeakPolarHBondContact O-CB 3.5Å; L255-Q259 PolarHBondContact O-N 2.92Å; Q259-E263 VanDerWaalsContact O-CB 3.3Å; Q259-E263 WeakPolarHBondContact O-CB 3.31Å; Q259-E263 PolarHBondContact O-N 3.26Å
260L97.3Very high97.1Very high118 Ų11892.9 Ų92.962%0.61851%0.512SS*.Hα-helixtrans-69.1-37.5179.1-178.761.1000112.4L256 K257 A264L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 PolarHBondContact O-N 3.28Å; K257-L260 PolarHBondContact O-N 3.08Å; L260-A264 WeakPolarHBondContact O-CB 3.46Å; L260-A264 PolarHBondContact O-N 3.06Å
261S97.1Very high97.2Very high64 Ų6495.8 Ų95.845%0.44852%0.52SS..Hα-helixtrans-70-40.8175.761.40000112K257 D258 A264 T265K257-S261 PolarHBondContact O-N 3.35Å; K257-S261 PolarHBondContact O-OG 3.26Å; D258-S261 WeakPolarHBondContact CA-OG 3.4Å; D258-S261 PolarHBondContact O-OG 3.21Å; D258-S261 VanDerWaalsContact O-OG 3.04Å; S261-A264 WeakPolarHBondContact O-CB 3.38Å; S261-A264 PolarHBondContact O-N 3.42Å; S261-T265 PolarHBondContact O-N 2.82Å; S261-T265 PolarHBondContact O-OG1 2.83Å
262A96.5Very high97.3Very high54 Ų5495.7 Ų95.745%0.44652%0.519SS..Hα-helixtrans-64.2-37.9174.200000112.9D258 A264 T265 A266D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.02Å; D258-A262 VanDerWaalsContact O-N 3.08Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A262-T265 PolarHBondContact O-OG1 2.7Å; A262-T265 VanDerWaalsContact O-OG1 3.07Å; A262-A266 VanDerWaalsContact O-CB 3.31Å; A262-A266 WeakPolarHBondContact O-CB 3.35Å; A262-A266 PolarHBondContact O-N 2.66Å
263E97.1Very high97.5Very high90 Ų9098.4 Ų98.442%0.42153%0.525SS..Hα-helixtrans-67.4-34.9172.7178.176.5175.300111.6Q259 R267Q259-E263 VanDerWaalsContact O-CB 3.3Å; Q259-E263 WeakPolarHBondContact O-CB 3.31Å; Q259-E263 PolarHBondContact O-N 3.26Å; E263-R267 VanDerWaalsContact CG-NH1 3.26Å; E263-R267 WeakPolarHBondContact O-CG 3.34Å; E263-R267 PolarHBondContact O-N 3.4Å; E263-R267 VanDerWaalsContact O-N 3.07Å; E263-R267 IonicContact OE1-CZ 3.95Å; E263-R267 IonicContact OE1-NE 3Å; E263-R267 IonicContact OE1-NH1 3.36Å; E263-R267 IonicContact OE1-NH2 3.69Å; E263-R267 PolarHBondContact OE1-NH2 3.41Å
264A97.7Very high97.5Very high53 Ų5397.8 Ų97.844%0.43852%0.521SS..Hα-helixtrans-69.1-43.4176.800000112.4L260 S261 A262 R267 L268L260-A264 WeakPolarHBondContact O-CB 3.46Å; L260-A264 PolarHBondContact O-N 3.06Å; S261-A264 WeakPolarHBondContact O-CB 3.38Å; S261-A264 PolarHBondContact O-N 3.42Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A264-R267 PolarHBondContact O-N 3.26Å; A264-L268 PolarHBondContact O-N 2.98Å; A264-L268 VanDerWaalsContact O-N 3.08Å
265T97.3Very high97.6Very high96 Ų9698 Ų9859%0.58952%0.522SS*.Hα-helixtrans-66.6-40.8175.3540000111.8S261 A262 R267 L268 E269S261-T265 PolarHBondContact O-N 2.82Å; S261-T265 PolarHBondContact O-OG1 2.83Å; A262-T265 PolarHBondContact O-OG1 2.7Å; A262-T265 VanDerWaalsContact O-OG1 3.07Å; T265-R267 VanDerWaalsContact C-N 3.28Å; T265-R267 PolarHBondContact O-N 3.18Å; T265-L268 PolarHBondContact O-N 2.82Å; T265-E269 PolarHBondContact O-N 2.64Å
266A97.3Very high97.6Very high50 Ų5097.3 Ų97.341%0.41352%0.516SS..Hα-helixtrans-60.9-34.8174.300000112.9A262 A270A262-A266 VanDerWaalsContact O-CB 3.31Å; A262-A266 WeakPolarHBondContact O-CB 3.35Å; A262-A266 PolarHBondContact O-N 2.66Å; A266-A270 WeakPolarHBondContact O-CB 3.41Å; A266-A270 PolarHBondContact O-N 2.99Å
267R97.6Very high97.6Very high139 Ų13997.2 Ų97.253%0.52552%0.515SS..Hα-helixtrans-67.5-44.4172.2-79.7-175.4179.1108.116.5112.8E263 A264 T265 E269 A270 Q271E263-R267 VanDerWaalsContact CG-NH1 3.26Å; E263-R267 WeakPolarHBondContact O-CG 3.34Å; E263-R267 PolarHBondContact O-N 3.4Å; E263-R267 VanDerWaalsContact O-N 3.07Å; E263-R267 IonicContact OE1-CZ 3.95Å; E263-R267 IonicContact OE1-NE 3Å; E263-R267 IonicContact OE1-NH1 3.36Å; E263-R267 IonicContact OE1-NH2 3.69Å; E263-R267 PolarHBondContact OE1-NH2 3.41Å; A264-R267 PolarHBondContact O-N 3.26Å; T265-R267 VanDerWaalsContact C-N 3.28Å; T265-R267 PolarHBondContact O-N 3.18Å; R267-E269 VanDerWaalsContact C-N 3.35Å; R267-A270 PolarHBondContact O-N 2.94Å; R267-Q271 WeakPolarHBondContact O-CG 3.37Å; R267-Q271 PolarHBondContact O-N 3.43Å
268L97.9Very high97.6Very high120 Ų12095.5 Ų95.563%0.62851%0.512SS*.Hα-helixtrans-63.7-42.3179-168.1155.3000110.7A264 T265 A270 Q271 A272A264-L268 PolarHBondContact O-N 2.98Å; A264-L268 VanDerWaalsContact O-N 3.08Å; T265-L268 PolarHBondContact O-N 2.82Å; L268-A270 PolarHBondContact O-N 2.88Å; L268-Q271 PolarHBondContact O-N 3.02Å; L268-A272 PolarHBondContact O-N 3.42Å
269E97.6Very high97.7Very high100 Ų10095 Ų9547%0.46751%0.509SS..Hα-helixtrans-62.7-42.3174.2-159.5-158.8158.600112T265 R267 Q271 A272 R273T265-E269 PolarHBondContact O-N 2.64Å; R267-E269 VanDerWaalsContact C-N 3.35Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.22Å; E269-A272 PolarHBondContact O-N 3Å; E269-R273 WeakPolarHBondContact O-CB 3.38Å; E269-R273 VanDerWaalsContact O-CG 3.27Å; E269-R273 WeakPolarHBondContact O-CG 3.49Å; E269-R273 PolarHBondContact O-N 3.15Å; E269-R273 IonicContact OE1-CZ 2.63Å; E269-R273 IonicContact OE1-NE 3.42Å; E269-R273 PolarHBondContact OE1-NE 2.96Å; E269-R273 IonicContact OE1-NH2 3.44Å; E269-R273 PolarHBondContact OE1-NH2 3.49Å; E269-R273 IonicContact OE2-NH2 3.35Å
270A97.6Very high97.7Very high51 Ų5193.5 Ų93.542%0.42150%0.502SS..Hα-helixtrans-63.1-37.9175.300000112.5A266 R267 L268 V274A266-A270 WeakPolarHBondContact O-CB 3.41Å; A266-A270 PolarHBondContact O-N 2.99Å; R267-A270 PolarHBondContact O-N 2.94Å; L268-A270 PolarHBondContact O-N 2.88Å; A270-V274 WeakPolarHBondContact O-CG2 3.38Å; A270-V274 PolarHBondContact O-N 2.96Å
271Q97.9Very high97.7Very high137 Ų13792 Ų9264%0.6450%0.495SS*.Hα-helixtrans-65-45.6174.1-75172.7-38.300111.7R267 L268 E269 R273 V274 H275R267-Q271 WeakPolarHBondContact O-CG 3.37Å; R267-Q271 PolarHBondContact O-N 3.43Å; L268-Q271 PolarHBondContact O-N 3.02Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.22Å; Q271-R273 PolarHBondContact O-N 3.43Å; Q271-V274 PolarHBondContact O-N 3.28Å; Q271-H275 PolarHBondContact O-N 3.45Å
272A97.9Very high97.8Very high57 Ų5794.3 Ų94.347%0.47150%0.497SS..Hα-helixtrans-60.3-44.1176.200000112.1L268 E269 V274 H275 Q276L268-A272 PolarHBondContact O-N 3.42Å; E269-A272 PolarHBondContact O-N 3Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 3.26Å; A272-H275 PolarHBondContact O-N 2.96Å; A272-Q276 PolarHBondContact O-N 3.33Å
273R98Very high97.8Very high158 Ų15895.5 Ų95.560%0.59650%0.496SS*.Hα-helixtrans-60.3-39.3174.7-70.9167.8176.5-139.610.3112.5E269 Q271 L277E269-R273 WeakPolarHBondContact O-CB 3.38Å; E269-R273 VanDerWaalsContact O-CG 3.27Å; E269-R273 WeakPolarHBondContact O-CG 3.49Å; E269-R273 PolarHBondContact O-N 3.15Å; E269-R273 IonicContact OE1-CZ 2.63Å; E269-R273 IonicContact OE1-NE 3.42Å; E269-R273 PolarHBondContact OE1-NE 2.96Å; E269-R273 IonicContact OE1-NH2 3.44Å; E269-R273 PolarHBondContact OE1-NH2 3.49Å; E269-R273 IonicContact OE2-NH2 3.35Å; Q271-R273 PolarHBondContact O-N 3.43Å; R273-L277 WeakPolarHBondContact O-CG 3.5Å; R273-L277 PolarHBondContact O-N 2.78Å
274V98Very high97.9Very high82 Ų8295.9 Ų95.950%0.49750%0.5SS..Hα-helixtrans-69.2-41175.1169.20000111.4A270 Q271 A272 Q276 L277 L278A270-V274 WeakPolarHBondContact O-CG2 3.38Å; A270-V274 PolarHBondContact O-N 2.96Å; Q271-V274 PolarHBondContact O-N 3.28Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 3.26Å; V274-Q276 PolarHBondContact O-N 2.91Å; V274-L277 PolarHBondContact O-N 3.27Å; V274-L278 HydrophobicContact CG1-CD1 4.07Å; V274-L278 HydrophobicContact CG1-CG 4.44Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 2.64Å
275H98.2Very high97.9Very high112 Ų11298.8 Ų98.852%0.51951%0.508SS..Hα-helixtrans-61.1-44.8176.4-171.679000111.6Q271 A272 L277 L278 L279Q271-H275 PolarHBondContact O-N 3.45Å; A272-H275 PolarHBondContact O-N 2.96Å; H275-L277 VanDerWaalsContact C-N 3.33Å; H275-L277 PolarHBondContact O-N 3.32Å; H275-L278 WeakPolarHBondContact O-CB 3.38Å; H275-L278 PolarHBondContact O-N 2.79Å; H275-L278 VanDerWaalsContact O-N 3.09Å; H275-L279 PolarHBondContact O-N 3.49Å
276Q98.3Very high97.9Very high104 Ų10499.4 Ų99.449%0.48650%0.504SS..Hα-helixtrans-58-42.7175-171.963.128.800112.5A272 V274 L279 Q280A272-Q276 PolarHBondContact O-N 3.33Å; V274-Q276 PolarHBondContact O-N 2.91Å; Q276-L279 PolarHBondContact O-N 3.3Å; Q276-Q280 WeakPolarHBondContact O-CG 3.27Å; Q276-Q280 PolarHBondContact O-N 3.04Å
277L98.3Very high98Very high95 Ų95102.7 Ų102.750%0.49751%0.511SS..Hα-helixtrans-67.3-33.6175.9-72.1169.1000112.5R273 V274 H275 N281R273-L277 WeakPolarHBondContact O-CG 3.5Å; R273-L277 PolarHBondContact O-N 2.78Å; V274-L277 PolarHBondContact O-N 3.27Å; H275-L277 VanDerWaalsContact C-N 3.33Å; H275-L277 PolarHBondContact O-N 3.32Å; L277-N281 WeakPolarHBondContact O-CB 3.49Å; L277-N281 VanDerWaalsContact O-CG 3.27Å; L277-N281 PolarHBondContact O-N 2.85Å; L277-N281 PolarHBondContact O-ND2 3.06Å
278L98.3Very high98Very high108 Ų108100.6 Ų100.657%0.56551%0.509SS*.Hα-helixtrans-68.6-39.8174.7-71.6170000111.7V274 H275 N281 K282V274-L278 HydrophobicContact CG1-CD1 4.07Å; V274-L278 HydrophobicContact CG1-CG 4.44Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 2.64Å; H275-L278 WeakPolarHBondContact O-CB 3.38Å; H275-L278 PolarHBondContact O-N 2.79Å; H275-L278 VanDerWaalsContact O-N 3.09Å; L278-N281 PolarHBondContact O-N 3.36Å; L278-K282 PolarHBondContact O-N 2.9Å
279L98.1Very high97.9Very high80 Ų8097.7 Ų97.742%0.41950%0.499SS..Hα-helixtrans-62.7-46173-67.6175.5000111.6H275 Q276 N281 K282 D283H275-L279 PolarHBondContact O-N 3.49Å; Q276-L279 PolarHBondContact O-N 3.3Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.07Å; L279-K282 WeakPolarHBondContact O-CB 3.39Å; L279-K282 PolarHBondContact O-N 3.27Å; L279-K282 VanDerWaalsContact O-N 3.16Å; L279-D283 PolarHBondContact O-N 3.07Å
280Q97.9Very high97.9Very high95 Ų9597.5 Ų97.544%0.44450%0.5SS..Hα-helixtrans-61.9-37.1175.3-73.6177.7-28.300112.7Q276 L284Q276-Q280 WeakPolarHBondContact O-CG 3.27Å; Q276-Q280 PolarHBondContact O-N 3.04Å; Q280-L284 WeakPolarHBondContact O-CB 3.31Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.34Å; Q280-L284 PolarHBondContact O-N 3.05Å
281N97.8Very high97.9Very high86 Ų8699.6 Ų99.646%0.4650%0.504SS..Hα-helixtrans-70.1-35174.1-74.6-48.9000112.6L277 L278 L279 L285L277-N281 WeakPolarHBondContact O-CB 3.49Å; L277-N281 VanDerWaalsContact O-CG 3.27Å; L277-N281 PolarHBondContact O-N 2.85Å; L277-N281 PolarHBondContact O-ND2 3.06Å; L278-N281 PolarHBondContact O-N 3.36Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.07Å; N281-L285 WeakPolarHBondContact O-CB 3.49Å; N281-L285 WeakPolarHBondContact O-CD1 3.23Å; N281-L285 VanDerWaalsContact O-CG 3.23Å; N281-L285 WeakPolarHBondContact O-CG 3.45Å; N281-L285 PolarHBondContact O-N 3.08Å
282K97.9Very high97.9Very high113 Ų11396.2 Ų96.249%0.49149%0.493SS..Hα-helixtrans-60.2-49.2172.1-177.4-171.5173.8-173.60110.3L278 L279 L285 Q286L278-K282 PolarHBondContact O-N 2.9Å; L279-K282 WeakPolarHBondContact O-CB 3.39Å; L279-K282 PolarHBondContact O-N 3.27Å; L279-K282 VanDerWaalsContact O-N 3.16Å; K282-L285 PolarHBondContact O-N 3.18Å; K282-Q286 WeakPolarHBondContact O-CG 3.49Å; K282-Q286 PolarHBondContact O-N 3.31Å
283D98Very high97.8Very high79 Ų7999.7 Ų99.742%0.42250%0.497SS..Hα-helixtrans-60.7-50.1179.4-179.143.2000112.2L279 L285 Q286 H287L279-D283 PolarHBondContact O-N 3.07Å; D283-L285 VanDerWaalsContact C-N 3.27Å; D283-L285 PolarHBondContact O-N 2.99Å; D283-Q286 WeakPolarHBondContact O-CA 3.5Å; D283-Q286 WeakPolarHBondContact O-CB 3.39Å; D283-Q286 PolarHBondContact O-N 3.35Å; D283-H287 PolarHBondContact O-CD2 2.94Å; D283-H287 PolarHBondContact O-N 3.08Å; D283-H287 IonicContact OD1-CD2 3.78Å; D283-H287 PolarHBondContact OD1-CD2 3.04Å; D283-H287 IonicContact OD1-NE2 2.65Å
284L98.1Very high97.6Very high99 Ų9996.7 Ų96.752%0.51849%0.49SS..Hα-helixtrans-57.4-37.8174.8-72.7170.9000112.7Q280 H287 I288Q280-L284 WeakPolarHBondContact O-CB 3.31Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.34Å; Q280-L284 PolarHBondContact O-N 3.05Å; L284-H287 PolarHBondContact O-N 2.97Å; L284-I288 WeakPolarHBondContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CD1 3.41Å; L284-I288 VanDerWaalsContact O-CG1 3.23Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 3.39Å
285L97.9Very high97.5Very high114 Ų11496.5 Ų96.560%0.59749%0.485SS*.Hα-helixtrans-71.1-33.8175.2-72.4169.3000112.7N281 K282 D283 S289N281-L285 WeakPolarHBondContact O-CB 3.49Å; N281-L285 WeakPolarHBondContact O-CD1 3.23Å; N281-L285 VanDerWaalsContact O-CG 3.23Å; N281-L285 WeakPolarHBondContact O-CG 3.45Å; N281-L285 PolarHBondContact O-N 3.08Å; K282-L285 PolarHBondContact O-N 3.18Å; D283-L285 VanDerWaalsContact C-N 3.27Å; D283-L285 PolarHBondContact O-N 2.99Å; L285-S289 VanDerWaalsContact O-CB 3.24Å; L285-S289 WeakPolarHBondContact O-CB 3.33Å; L285-S289 PolarHBondContact O-N 2.89Å
286Q97.6Very high97.2Very high108 Ų10896.4 Ų96.451%0.50549%0.485SS..Hα-helixtrans-65.8-44.2171.8-72173.1-64.300111K282 D283 S289 L290K282-Q286 WeakPolarHBondContact O-CG 3.49Å; K282-Q286 PolarHBondContact O-N 3.31Å; D283-Q286 WeakPolarHBondContact O-CA 3.5Å; D283-Q286 WeakPolarHBondContact O-CB 3.39Å; D283-Q286 PolarHBondContact O-N 3.35Å; Q286-S289 WeakPolarHBondContact O-CB 3.46Å; Q286-S289 PolarHBondContact O-N 2.89Å; Q286-L290 PolarHBondContact O-N 2.94Å
287H98Very high96.9Very high120 Ų12096.2 Ų96.256%0.55648%0.484SS*.Hα-helixtrans-61-44.1173.6-88.6-101.6000112.8D283 L284 L290 L291D283-H287 PolarHBondContact O-CD2 2.94Å; D283-H287 PolarHBondContact O-N 3.08Å; D283-H287 IonicContact OD1-CD2 3.78Å; D283-H287 PolarHBondContact OD1-CD2 3.04Å; D283-H287 IonicContact OD1-NE2 2.65Å; L284-H287 PolarHBondContact O-N 2.97Å; H287-L290 PolarHBondContact O-N 2.75Å; H287-L291 WeakPolarHBondContact O-CB 3.4Å; H287-L291 PolarHBondContact O-N 3.03Å
288I98.1Very high96.6Very high95 Ų9597.2 Ų97.249%0.48749%0.489SS..Hα-helixtrans-64.4-41.5174.9-70.3163.6000110.9L284 L290 L291 V292L284-I288 WeakPolarHBondContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CD1 3.41Å; L284-I288 VanDerWaalsContact O-CG1 3.23Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 3.39Å; I288-L290 PolarHBondContact O-N 3.45Å; I288-L291 PolarHBondContact O-N 3.1Å; I288-V292 HydrophobicContact CG2-CG2 4.35Å; I288-V292 WeakPolarHBondContact O-CB 3.47Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.27Å
289S97.2Very high96.2Very high59 Ų5997 Ų9741%0.41349%0.485SS..Hα-helixtrans-61.8-41.8176.6-175.90000112.2L285 Q286 V292 K293L285-S289 VanDerWaalsContact O-CB 3.24Å; L285-S289 WeakPolarHBondContact O-CB 3.33Å; L285-S289 PolarHBondContact O-N 2.89Å; Q286-S289 WeakPolarHBondContact O-CB 3.46Å; Q286-S289 PolarHBondContact O-N 2.89Å; S289-V292 PolarHBondContact O-N 3.49Å; S289-K293 WeakPolarHBondContact O-CG 3.29Å; S289-K293 PolarHBondContact O-N 3.47Å
290L97.1Very high95.4Very high95 Ų9596.7 Ų96.750%0.49749%0.49SS..Hα-helixtrans-63.7-44.1173.8-179.261.6000111.9Q286 H287 I288 K293 Q294Q286-L290 PolarHBondContact O-N 2.94Å; H287-L290 PolarHBondContact O-N 2.75Å; I288-L290 PolarHBondContact O-N 3.45Å; L290-K293 WeakPolarHBondContact O-CB 3.43Å; L290-K293 PolarHBondContact O-N 2.89Å; L290-Q294 WeakPolarHBondContact O-CG 3.24Å; L290-Q294 PolarHBondContact O-N 3.46Å
291L97.3Very high94.6Very high96 Ų9698.5 Ų98.550%0.50350%0.497SS..Hα-helixtrans-64.5-40.7177.9-174.165.5000111.9H287 I288 Q294 I295H287-L291 WeakPolarHBondContact O-CB 3.4Å; H287-L291 PolarHBondContact O-N 3.03Å; I288-L291 PolarHBondContact O-N 3.1Å; L291-Q294 PolarHBondContact O-N 2.83Å; L291-I295 HydrophobicContact CG-CD1 4.13Å; L291-I295 VanDerWaalsContact O-CG1 3.31Å; L291-I295 WeakPolarHBondContact O-CG1 3.48Å; L291-I295 PolarHBondContact O-N 2.96Å
292V97.3Very high93.3Very high66 Ų66102 Ų10240%0.451%0.512SS..Hα-helixtrans-63.1-41.4174.1168.70000111.1I288 S289 I295 Q296I288-V292 HydrophobicContact CG2-CG2 4.35Å; I288-V292 WeakPolarHBondContact O-CB 3.47Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.27Å; S289-V292 PolarHBondContact O-N 3.49Å; V292-I295 PolarHBondContact O-N 3.22Å; V292-Q296 HydrophobicContact CG1-CG 4.45Å; V292-Q296 WeakPolarHBondContact O-CB 3.23Å; V292-Q296 WeakPolarHBondContact O-CG 3.42Å; V292-Q296 PolarHBondContact O-N 3.37Å
293K95.5Very high91.8Very high130 Ų130102.4 Ų102.457%0.56552%0.523SS*.Hα-helixtrans-61.3-43.4173-74.6175.5-179.5-177.80112S289 L290 Q296 E297S289-K293 WeakPolarHBondContact O-CG 3.29Å; S289-K293 PolarHBondContact O-N 3.47Å; L290-K293 WeakPolarHBondContact O-CB 3.43Å; L290-K293 PolarHBondContact O-N 2.89Å; K293-Q296 PolarHBondContact O-N 3.26Å; K293-E297 VanDerWaalsContact O-CB 3.31Å; K293-E297 WeakPolarHBondContact O-CB 3.31Å; K293-E297 PolarHBondContact O-N 2.95Å
294Q95.1Very high89.9Confident95 Ų95100.1 Ų100.144%0.44452%0.519SS..Hα-helixtrans-63.7-39.3176.4-73.2175.3-10.200112.2L290 L291 E297 L298L290-Q294 WeakPolarHBondContact O-CG 3.24Å; L290-Q294 PolarHBondContact O-N 3.46Å; L291-Q294 PolarHBondContact O-N 2.83Å; Q294-E297 PolarHBondContact O-N 3.42Å; Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 VanDerWaalsContact O-CG 3.29Å; Q294-L298 WeakPolarHBondContact O-CG 3.45Å; Q294-L298 PolarHBondContact O-N 3.34Å
295I95.4Very high87.8Confident78 Ų78101.7 Ų101.740%0.454%0.535SS..Hα-helixtrans-64.6-48174.4-69.2164.4000110.2L291 V292 E297 L298 E299L291-I295 HydrophobicContact CG-CD1 4.13Å; L291-I295 VanDerWaalsContact O-CG1 3.31Å; L291-I295 WeakPolarHBondContact O-CG1 3.48Å; L291-I295 PolarHBondContact O-N 2.96Å; V292-I295 PolarHBondContact O-N 3.22Å; I295-E297 VanDerWaalsContact C-N 3.28Å; I295-E297 PolarHBondContact O-N 2.95Å; I295-L298 PolarHBondContact O-N 3.46Å; I295-L298 VanDerWaalsContact O-N 3.11Å; I295-E299 HydrophobicContact CG2-CG 4.28Å; I295-E299 WeakPolarHBondContact O-CB 3.29Å; I295-E299 WeakPolarHBondContact O-CG 3.31Å; I295-E299 PolarHBondContact O-N 2.89Å
296Q92.5Very high85.5Confident110 Ų110103.8 Ų103.851%0.51455%0.547SS..Hα-helixtrans-62.3-33.8176.2-72.4173.7-900112.7V292 K293 S300V292-Q296 HydrophobicContact CG1-CG 4.45Å; V292-Q296 WeakPolarHBondContact O-CB 3.23Å; V292-Q296 WeakPolarHBondContact O-CG 3.42Å; V292-Q296 PolarHBondContact O-N 3.37Å; K293-Q296 PolarHBondContact O-N 3.26Å; Q296-S300 VanDerWaalsContact O-CB 3.29Å; Q296-S300 WeakPolarHBondContact O-CB 3.49Å; Q296-S300 PolarHBondContact O-N 3.26Å; Q296-S300 PolarHBondContact O-OG 3.47Å
297E92.4Very high82.9Confident99 Ų99103.9 Ų103.946%0.46356%0.559SS.*Hα-helixtrans-69.4-38.2174-164.7-170.8169.300111.6K293 Q294 I295 S300 K301K293-E297 VanDerWaalsContact O-CB 3.31Å; K293-E297 WeakPolarHBondContact O-CB 3.31Å; K293-E297 PolarHBondContact O-N 2.95Å; Q294-E297 PolarHBondContact O-N 3.42Å; I295-E297 VanDerWaalsContact C-N 3.28Å; I295-E297 PolarHBondContact O-N 2.95Å; E297-S300 WeakPolarHBondContact CA-OG 3.31Å; E297-S300 PolarHBondContact O-OG 3.23Å; E297-K301 VanDerWaalsContact CD-NZ 3.27Å; E297-K301 HydrophobicContact CG-CD 4.35Å; E297-K301 VanDerWaalsContact O-CB 3.31Å; E297-K301 WeakPolarHBondContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CD 3.42Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 VanDerWaalsContact OE1-CE 3.3Å; E297-K301 WeakPolarHBondContact OE1-CE 3.5Å; E297-K301 IonicContact OE1-NZ 3.59Å; E297-K301 PolarHBondContact OE1-NZ 3.18Å
298L90.6Very high80.6Confident117 Ų117107.4 Ų107.461%0.61358%0.578SS**Hα-helixtrans-70.4-42.1173.9-72168.6000112Q294 I295 K301 M302Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 VanDerWaalsContact O-CG 3.29Å; Q294-L298 WeakPolarHBondContact O-CG 3.45Å; Q294-L298 PolarHBondContact O-N 3.34Å; I295-L298 PolarHBondContact O-N 3.46Å; I295-L298 VanDerWaalsContact O-N 3.11Å; L298-K301 PolarHBondContact O-N 2.95Å; L298-M302 VanDerWaalsContact O-CB 3.31Å; L298-M302 WeakPolarHBondContact O-CB 3.49Å; L298-M302 PolarHBondContact O-N 3.09Å
299E89.6Confident78.4Confident102 Ų102106.6 Ų106.648%0.47759%0.593SS.*Hα-helixtrans-61.8-47.1174.6-73.2173.5163.400111.1I295 K301 M302 V303I295-E299 HydrophobicContact CG2-CG 4.28Å; I295-E299 WeakPolarHBondContact O-CB 3.29Å; I295-E299 WeakPolarHBondContact O-CG 3.31Å; I295-E299 PolarHBondContact O-N 2.89Å; E299-K301 PolarHBondContact O-N 3.2Å; E299-M302 CarbonylContact O-C 3.54Å; E299-M302 PolarHBondContact O-N 2.94Å; E299-M302 VanDerWaalsContact O-N 3.13Å; E299-V303 WeakPolarHBondContact O-CB 3.44Å; E299-V303 VanDerWaalsContact O-CG2 3.31Å; E299-V303 WeakPolarHBondContact O-CG2 3.49Å; E299-V303 PolarHBondContact O-N 3.09Å
300S82.9Confident75.8Confident75 Ų75109 Ų10952%0.52461%0.61SS.*Hα-helixtrans-69.8-27.8177.155.40000113.7Q296 E297 G304Q296-S300 VanDerWaalsContact O-CB 3.29Å; Q296-S300 WeakPolarHBondContact O-CB 3.49Å; Q296-S300 PolarHBondContact O-N 3.26Å; Q296-S300 PolarHBondContact O-OG 3.47Å; E297-S300 WeakPolarHBondContact CA-OG 3.31Å; E297-S300 PolarHBondContact O-OG 3.23Å; S300-G304 PolarHBondContact O-N 3.28Å
301K79.3Confident73.5Confident133 Ų133112.8 Ų112.858%0.57863%0.625SS**Hα-helixtrans-69.7-35.8166.9-76.4167.3-174.7169.60112.5E297 L298 E299 G304E297-K301 VanDerWaalsContact CD-NZ 3.27Å; E297-K301 HydrophobicContact CG-CD 4.35Å; E297-K301 VanDerWaalsContact O-CB 3.31Å; E297-K301 WeakPolarHBondContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CD 3.42Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 VanDerWaalsContact OE1-CE 3.3Å; E297-K301 WeakPolarHBondContact OE1-CE 3.5Å; E297-K301 IonicContact OE1-NZ 3.59Å; E297-K301 PolarHBondContact OE1-NZ 3.18Å; L298-K301 PolarHBondContact O-N 2.95Å; E299-K301 PolarHBondContact O-N 3.2Å; K301-G304 PolarHBondContact O-N 2.9Å
302M70.8Confident71.6Confident158 Ų158115.6 Ų115.678%0.77864%0.641SS**Hα-helixtrans-75.7-25.3176.9-169.7171.167.900113L298 E299L298-M302 VanDerWaalsContact O-CB 3.31Å; L298-M302 WeakPolarHBondContact O-CB 3.49Å; L298-M302 PolarHBondContact O-N 3.09Å; E299-M302 CarbonylContact O-C 3.54Å; E299-M302 PolarHBondContact O-N 2.94Å; E299-M302 VanDerWaalsContact O-N 3.13Å
303V66.5Low69.2Low122 Ų122118 Ų11874%0.73966%0.66SS**SBendtrans-96.51.5174.5177.10000111.9E299E299-V303 WeakPolarHBondContact O-CB 3.44Å; E299-V303 VanDerWaalsContact O-CG2 3.31Å; E299-V303 WeakPolarHBondContact O-CG2 3.49Å; E299-V303 PolarHBondContact O-N 3.09Å
304G58Low67.1Low31 Ų31118.9 Ų118.932%0.3267%0.671SS.*SBendtrans-62.8157.1177.500000113.4S300 K301 N306S300-G304 PolarHBondContact O-N 3.28Å; K301-G304 PolarHBondContact O-N 2.9Å; G304-N306 PolarHBondContact O-N 2.86Å
305P54.5Low65.1Low132 Ų132122 Ų12286%0.85769%0.689SS**SBendtrans-7938.8-15532.7-39000116.5
306N50.2Low63Low159 Ų159127 Ų12785%0.8571%0.711SS**  trans-115.767.7-179.1-75.3-22.9000112.6G304G304-N306 PolarHBondContact O-N 2.86Å
307S42.9Very low60.9Low110 Ų110128.3 Ų128.377%0.76972%0.72SS**  trans-134.661.8164-1630000111.7G309S307-G309 PolarHBondContact O-N 3.27Å
308M50.2Low58.6Low194 Ų194128.8 Ų128.896%0.95673%0.73SS**  trans-81.593.9163.3-90.8-70.1143.900109.5
309G51.2Low56.3Low77 Ų77132.7 Ų132.779%0.79474%0.742SS**SBendtrans7279.7154.800000117.2S307S307-G309 PolarHBondContact O-N 3.27Å
310S41.8Very low53.8Low111 Ų111139.2 Ų139.278%0.77676%0.763SS**  trans-133.3132.1131.1-164.10000109.4
311Q49.6Very low51.3Low173 Ų173141 Ų14181%0.80878%0.775SS**  trans-75.9-177.1156.2-69.3-178-2300108.5
312D57.3Low49Very low155 Ų155140.9 Ų140.983%0.82979%0.786SS**  trans73.384.5176.8-54.8-27.3000117.7
313S46.9Very low47.5Very low116 Ų116139.6 Ų139.681%0.81179%0.787SS**  trans-154.3117.1130.4-85.60000111.5L315S313-L315 VanDerWaalsContact C-N 3.28Å; S313-L315 PolarHBondContact O-N 3.48Å
314L51Low46Very low150 Ų150138.9 Ų138.979%0.78579%0.785SS**  trans-87.542.4-162.1-128.2173.1000113.5I317L314-I317 HydrophobicContact CD2-CD1 3.82Å
315L54.1Low45.1Very low159 Ų159143.3 Ų143.383%0.83281%0.808SS**  trans-12914.4-162.4-71.1176.6000117S313S313-L315 VanDerWaalsContact C-N 3.28Å; S313-L315 PolarHBondContact O-N 3.48Å
316E50.6Low44.3Very low184 Ų184143.3 Ų143.386%0.8681%0.805SS**  trans-101.617.8178.5-143.7-166.9167.400114.9
317I49.3Very low43.8Very low137 Ų137143.3 Ų143.370%0.70380%0.803SS**  trans-92.9-0.4-168.1-17.7179.3000115L314L314-I317 HydrophobicContact CD2-CD1 3.82Å
318T43.9Very low43.4Very low110 Ų110143.9 Ų143.968%0.67581%0.806SS**SBendtrans-101-20.8-163.6-47.10000115.4
319F42.3Very low42.3Very low198 Ų198142 Ų14287%0.86880%0.799SS**  trans-13162.9-171.1-76.5-74.5000115.3
320R37.5Very low41.7Very low239 Ų239142.4 Ų142.490%0.90280%0.796SS**  trans-124.893.9152.9-76.7-170.3176.3-106.4-2.2110.5T322R320-T322 PolarHBondContact O-N 3.49Å
321S28.7Very low41.3Very low113 Ų113143.6 Ų143.679%0.7980%0.798SS**  trans-72.6103.9175.3177.40000111.1V323S321-V323 PolarHBondContact O-N 2.92Å
322T31.9Very low40.7Very low131 Ų131141.1 Ų141.180%0.80480%0.795SS**  trans18.394.1151.7-43.30000117.7R320R320-T322 PolarHBondContact O-N 3.49Å
323V38.3Very low39.8Very low131 Ų131139.9 Ų139.979%0.79480%0.796SS**  trans-132.4124.2147.7-179.40000106.8S321S321-V323 PolarHBondContact O-N 2.92Å
324P35.9Very low39.2Very low107 Ų107142.2 Ų142.270%0.69579%0.791SS**PPolyproline II helixtrans-75.6132.8-17829.8-33.4000111.1
325P38.1Very low38Very low124 Ų124140.1 Ų140.181%0.80579%0.789SS**PPolyproline II helixtrans-72.5134.4172.229.8-32.9000110.5
326V37.6Very low36.7Very low131 Ų131139.4 Ų139.479%0.79478%0.781SS**PPolyproline II helixtrans-71.6141.5170.5174.90000109.4C328V326-C328 PolarHBondContact O-N 3.25Å
327I40.1Very low35.7Very low159 Ų159136.6 Ų136.682%0.81578%0.777SS**PPolyproline II helixtrans-70.6123.4177.6-57.5167.5000109.4
328C34.7Very low34.9Very low122 Ų122134.7 Ų134.782%0.82478%0.775SS**  trans-124.5133.4161.3-73.50000108.4V326V326-C328 PolarHBondContact O-N 3.25Å
329D28.6Very low34.3Very low154 Ų154136.5 Ų136.582%0.82478%0.781SS**  trans-89.5165-167.1-157.50.5000113.3
330A36.8Very low33.7Very low86 Ų86135.1 Ų135.171%0.71178%0.781SS**  trans-103.395.2-167.600000113.7
331T34.3Very low33.4Very low136 Ų136130.3 Ų130.383%0.83477%0.773SS**  trans-128.299.2166.157.30000112.1
332T37.3Very low33.3Very low122 Ų122132.4 Ų132.475%0.74878%0.775SS**  trans-70161.6175.1-10.50000112.3
333P37.8Very low33.1Very low129 Ų129131.1 Ų131.184%0.83877%0.771SS**  -141.3168.883.434.6-16.7000116.3
334K35.3Very low32.6Very low164 Ų164129.2 Ų129.271%0.71377%0.769SS**  trans-100.2160.8177.1-77.6176.1149.5-157.60112.8E336K334-E336 IonicContact NZ-OE1 2.61Å; K334-E336 PolarHBondContact NZ-OE1 3.24Å
335S24.3Very low32.3Very low106 Ų106132.4 Ų132.474%0.74178%0.779SS**  trans-158.9138.5135.3-155.20000106
336E26.8Very low31.8Very low144 Ų144129.4 Ų129.467%0.67377%0.771SS**  cis62.5128.940.8-62.9171-15800110.3K334K334-E336 IonicContact NZ-OE1 2.61Å; K334-E336 PolarHBondContact NZ-OE1 3.24Å
337V30.8Very low31.4Very low125 Ų125130.4 Ų130.476%0.75878%0.777SS**  cis-153.8155.842.3-160.40000112.4
338S32.4Very low30.9Very low97 Ų97126.2 Ų126.268%0.67877%0.773SS**  trans61.2136.2156.4520000120
339D31.8Very low30.7Very low149 Ų149128.8 Ų128.880%0.79778%0.779SS**  cis77.8127.137.4-71.9-52.9000116.7
340I29.5Very low30.8Very low169 Ų169124.3 Ų124.387%0.86777%0.769SS**  trans-175.9153.1137.1-90.7149.1000109.5
341N29.7Very low30.7Very low138 Ų138127.5 Ų127.574%0.73878%0.779SS**  trans-96.2167.5-167.3-77.2-94.8000115.6
342L28.1Very low30.8Very low156 Ų156126.2 Ų126.282%0.81778%0.776SS**  157.4120.5125.6-79.8160.6000109.7
343S27.7Very low30.5Very low105 Ų105128 Ų12873%0.73478%0.781SS**  72.1142.373.2-58.70000115.2
344A27.9Very low30.2Very low90 Ų90126.7 Ų126.774%0.74478%0.781SS**  cis-172.6150.3-17.200000111.2
345L29.6Very low29.8Very low175 Ų175128.4 Ų128.492%0.91679%0.789SS**  trans-174.5149.5157.2-12566.8000106.7
346G25.9Very low29.8Very low60 Ų60129 Ų12962%0.61979%0.793SS**  cis101.3121.616.600000110.3
347T30.7Very low30Very low153 Ų153127.4 Ų127.494%0.93980%0.798SS**  cis-164.7157.77.3-500000108.9
348G28.4Very low30Very low70 Ų70128.3 Ų128.372%0.72280%0.804SS**  trans153.3131.5159.900000118
349D31Very low30Very low177 Ų177131.5 Ų131.595%0.94781%0.813SS**  trans-59.5166.6177-58.8-57.8000115.6
350G31.1Very low29.8Very low59 Ų59127.7 Ų127.761%0.60881%0.81SS**  cis148.1159.6-4.600000113.5
351T34.2Very low29.8Very low153 Ų153125.9 Ų125.994%0.93981%0.807SS**  trans65.7151.2-177.9760000115.5
352S37.3Very low29.8Very low110 Ų110127.6 Ų127.677%0.76982%0.815SS**  cis-142.8164.97.6580000112.8
353N30.6Very low29.6Very low160 Ų160123.7 Ų123.786%0.85681%0.812SS**  trans-80.8151.9174.7-58.6-27000111.8
354A30.9Very low30Very low101 Ų101124.5 Ų124.584%0.83582%0.818SS**  -171.8136.6121.100000113.5
355F26.6Very low30.9Very low199 Ų199125.6 Ų125.687%0.87382%0.817SS**  trans-75.1144.4166.8-69-110.9000110.9
356S25Very low31.1Very low118 Ų118125.9 Ų125.983%0.82582%0.819SS**  166140.2105.6-72.30000113.6
357S31.3Very low31.3Very low111 Ų111126 Ų12678%0.77682%0.82SS**  trans-80.1154.7166.9-42.70000111.6
358T30.7Very low31.6Very low145 Ų145129.9 Ų129.989%0.8982%0.818SS**  trans-169.7166.6132.312.10000112.2
359N31.8Very low31.7Very low163 Ų163133.5 Ų133.587%0.87282%0.82SS**  trans-86.6172.5-170.9-64.3-29.7000113.3
360G28Very low32Very low70 Ų70132.9 Ų132.972%0.72281%0.812SS**  trans-62.9-17918000000115.4
361T29Very low32Very low131 Ų131136.2 Ų136.280%0.80482%0.824SS**  -166.8170.862-54.10000111
362L29.5Very low31.8Very low174 Ų174136 Ų13691%0.91182%0.817SS**  trans83.7134.2172.9-49.4170.5000115.1
363G25.2Very low31.6Very low73 Ų73138.9 Ų138.975%0.75382%0.823SS**  cis-171.7155-6.300000113.5
364S35.8Very low31.5Very low123 Ų123138.3 Ų138.386%0.8681%0.812SS**  trans-90.5168.2178.3-43.80000112.6
365P47.3Very low31.6Very low112 Ų112142 Ų14273%0.72782%0.817SS**  trans-144149.7132.237.3-23.4000116.1
366L33.8Very low31.7Very low181 Ų181138.1 Ų138.195%0.94880%0.802SS**  trans62.1145.2167.2-83.363.1000117.3
367G29Very low32Very low63 Ų63137.7 Ų137.765%0.64980%0.798SS**  cis-170.1135.2-9.700000107.9
368R36.5Very low31.9Very low235 Ų235141.4 Ų141.489%0.88780%0.8SS**  49.1128.696.1-66.8-172.9178.4173.4-0.5113.2
369D31.7Very low32Very low145 Ų145145 Ų14578%0.77580%0.797SS**  cis-135.6167.445-81-54.1000118.8
370Q36.5Very low32.1Very low164 Ų164147.2 Ų147.277%0.76680%0.8SS**  trans-69.7153.8-172.4-53.4155.783.100116
371C31.3Very low32.6Very low129 Ų129151.3 Ų151.387%0.87280%0.804SS**  -153.6155.4126.8-1570000111.4
372L31.1Very low33.2Very low150 Ų150151 Ų15179%0.78580%0.804SS**  trans-121.7127.4-171.7-69.9166000111.7
373L32.8Very low34.1Very low170 Ų170145.8 Ų145.889%0.8979%0.793SS**  trans-134.277.4168.6-75179.4000113.4
374K28.3Very low35.2Very low147 Ų147148.4 Ų148.464%0.63980%0.796SS**  39.194.5129.7-163.8-170-174.9-156.60117.9E376K374-E376 VanDerWaalsContact CE-CD 3.42Å; K374-E376 WeakPolarHBondContact CE-OE1 3.37Å; K374-E376 WeakPolarHBondContact CE-OE2 3.16Å; K374-E376 IonicContact NZ-OE1 2.89Å; K374-E376 PolarHBondContact NZ-OE1 2.98Å; K374-E376 IonicContact NZ-OE2 3.97Å; K374-E376 PolarHBondContact NZ-OE2 2.99Å; K374-E376 PolarHBondContact O-N 3.06Å
375L32.6Very low35.7Very low179 Ų179148.5 Ų148.594%0.93779%0.794SS**  trans-72.7104.5156.9-73.8171.9000110.1C377L375-C377 PolarHBondContact O-N 3.4Å
376E28.4Very low36.1Very low118 Ų118146.1 Ų146.155%0.55179%0.79SS**  trans-92.292.7-179.5-170145.6-13000111.8K374 F378K374-E376 VanDerWaalsContact CE-CD 3.42Å; K374-E376 WeakPolarHBondContact CE-OE1 3.37Å; K374-E376 WeakPolarHBondContact CE-OE2 3.16Å; K374-E376 IonicContact NZ-OE1 2.89Å; K374-E376 PolarHBondContact NZ-OE1 2.98Å; K374-E376 IonicContact NZ-OE2 3.97Å; K374-E376 PolarHBondContact NZ-OE2 2.99Å; K374-E376 PolarHBondContact O-N 3.06Å; E376-F378 HydrophobicContact CG-CE2 4.28Å; E376-F378 PolarHBondContact O-N 3.35Å
377C31.4Very low36.6Very low109 Ų109143.6 Ų143.674%0.73678%0.784SS**  trans-79.2108.7175.2-174.60000110.9L375 R379L375-C377 PolarHBondContact O-N 3.4Å; C377-R379 VanDerWaalsContact C-N 3.31Å; C377-R379 PolarHBondContact O-N 3Å
378F29.1Very low37.6Very low188 Ų188146.1 Ų146.183%0.82579%0.789SS**  trans-71.180.8173.3-79.2-83.5000112.3E376E376-F378 HydrophobicContact CG-CE2 4.28Å; E376-F378 PolarHBondContact O-N 3.35Å
379R32.8Very low37.9Very low222 Ų222140.6 Ų140.684%0.83878%0.784SS**PPolyproline II helixtrans-88.3138.2151.9-73.8-166.4177.7-156.31.7109.5C377 L381C377-R379 VanDerWaalsContact C-N 3.31Å; C377-R379 PolarHBondContact O-N 3Å; R379-L381 PolarHBondContact O-N 3.16Å
380F33.8Very low38.1Very low209 Ų209139.3 Ų139.392%0.91778%0.783SS**PPolyproline II helixtrans-64.9120.7167.1-77.9-95.9000109.7
381L38.6Very low37.9Very low155 Ų155143.1 Ų143.181%0.81279%0.791SS**PPolyproline II helixtrans-88.8145.1159.5-71.2174.6000109.4R379R379-L381 PolarHBondContact O-N 3.16Å
382P42Very low37.7Very low125 Ų125145.6 Ų145.681%0.81279%0.789SS**PPolyproline II helixtrans-59.2142.5166.6-21.433.6000111.2
383G47.1Very low37.6Very low65 Ų65144.3 Ų144.367%0.6779%0.788SS**PPolyproline II helixtrans-70.1158.5173.300000112.6
384P49.5Very low37.4Very low127 Ų127145.4 Ų145.483%0.82579%0.785SS**PPolyproline II helixtrans-68.3148.9-178.628.7-35.4000112.5
385P46.2Very low37.4Very low126 Ų126142.9 Ų142.982%0.81879%0.786SS**PPolyproline II helixtrans-72153.4174.631-35.2000112.3
386G56.5Low37.2Very low62 Ų62141.8 Ų141.864%0.63978%0.78SS**PPolyproline II helixtrans-75.3166.3171.900000113.4
387P42.7Very low37Very low127 Ų127142.5 Ų142.583%0.82579%0.788SS**PPolyproline II helixtrans-73.3143.4-173.129.7-35.8000113.4
388P51.3Low36.8Very low116 Ų116141.9 Ų141.975%0.75378%0.784SS**PPolyproline II helixtrans-87.3153175.835-35.1000113
389P43.2Very low36.7Very low119 Ų119139.8 Ų139.877%0.77378%0.78SS**PPolyproline II helixtrans-72.4156.1160.132.8-33.8000111
390P36Very low36.4Very low118 Ų118136.1 Ų136.177%0.76677%0.773SS**PPolyproline II helixtrans-87.5144.1-164.733-36.3000115.1
391R30.9Very low36.2Very low244 Ų244133.8 Ų133.892%0.92176%0.763SS**  trans-163.9104147.1-100.1140.4-159.9-117.33.2112.9
392E27.8Very low35.7Very low181 Ų181131.2 Ų131.285%0.84675%0.753SS**  trans32.599.6143.6-60.3-172.4140.800123.3
393V29.2Very low35.1Very low124 Ų124135.7 Ų135.775%0.75275%0.754SS**  50.1136.4127.6-133.70000123.6
394K28.9Very low34.3Very low192 Ų192142.1 Ų142.184%0.83576%0.764SS**  trans91.6140.7157.2-56.2171.7-170.7170.90117.1
395S27.3Very low33.4Very low94 Ų94146.5 Ų146.566%0.65776%0.764SS**  cis-176.1135.8-18.948.70000112.3
396L27.8Very low32.7Very low156 Ų156147.8 Ų147.882%0.81776%0.759SS**  trans62.1164.6163.5-58.2160.3000115.3
397D25.2Very low31.6Very low133 Ų133150.3 Ų150.371%0.71177%0.767SS**  cis-149.3141-14.1-124.5-1.1000106.4
398C26.5Very low31Very low96 Ų96148 Ų14865%0.64977%0.766SS**  76142.989.6-154.60000117.1
399L27.7Very low30.1Very low144 Ų144151 Ų15175%0.75477%0.774SS**  trans68.5159170.6-63.4133.2000118.5
400E27.1Very low29.4Very low146 Ų146149.5 Ų149.568%0.68277%0.772SS**  cis-165.1162.5-40.6-137.9-178.7-165.600113.1
401F28.5Very low29.3Very low159 Ų159149.7 Ų149.770%0.69778%0.776SS**  trans48.5125150.4-85.3-49.9000127.8
402T29.3Very low29.5Very low101 Ų101147.1 Ų147.162%0.6277%0.774SS**  trans70.7167.2146.373.20000118.4
403R28Very low29.7Very low220 Ų220148.3 Ų148.383%0.8377%0.772SS**  cis-154.1172.510-151165.4-65.3-179.60113.4
404F31.9Very low30Very low199 Ų199149 Ų14987%0.87377%0.767SS**  trans-74.9148.4173.2-83.7-109.3000115
405R29.3Very low30.4Very low220 Ų220145.2 Ų145.283%0.8377%0.765SS**  175.4140.9128.5-95.5-179149.2-142.2-14108.9
406E31.2Very low30.8Very low152 Ų152148.3 Ų148.371%0.7178%0.775SS**  cis94.3132.132-161.2-164.2-176.700114.6
407S34.6Very low31.6Very low116 Ų116146.6 Ų146.681%0.81178%0.775SS**  trans86.1133.7168.2-63.90000119.5
408G29.5Very low32.1Very low78 Ų78146.6 Ų146.680%0.80478%0.775SS**  trans149.9101167.700000114.5
409I32.6Very low32.7Very low179 Ų179150.1 Ų150.192%0.91879%0.788SS**  trans-130.2130.9171.8-55.5172.4000108.4
410A28.3Very low33.1Very low88 Ų88147.5 Ų147.573%0.72778%0.781SS**  trans-168.3155.615800000114.2
411S33.8Very low33.7Very low121 Ų121147.4 Ų147.485%0.84679%0.786SS**  trans84131.8159.473.10000119.8
412E35.1Very low34.4Very low190 Ų190148.2 Ų148.289%0.88880%0.798SS**  trans-110.5148.7176.4-60.9139.8-161.200108.2
413Y32.2Very low35.2Very low206 Ų206154.5 Ų154.581%0.80881%0.81SS**  trans-154.7160.1149.1-144.1-93.3000113.4
414E36.5Very low35.7Very low138 Ų138153.3 Ų153.365%0.64581%0.814SS**  trans-79.7157.5-172.1-47.9168.810600114.2
415S36.1Very low35.9Very low114 Ų114151.7 Ų151.780%0.79781%0.814SS**  -160.9123.1125.7-143.20000111.6
416N36.5Very low36.3Very low159 Ų159150 Ų15085%0.8582%0.816SS**  trans-81.6148.4161.2-75.4-38.6000109.1
417S43.4Very low36.4Very low119 Ų119146.4 Ų146.483%0.83282%0.819SS**  trans-133.6126160.7-690000109.2
418D35.6Very low36.5Very low133 Ų133149.5 Ų149.571%0.71182%0.821SS**  trans-80.9139.7173.617624000109.8S420D418-S420 PolarHBondContact OD1-N 3.4Å; D418-S420 PolarHBondContact OD1-OG 3.49Å
419D39.1Very low36.6Very low171 Ų171153.6 Ų153.691%0.91482%0.824SS**  trans-151.590.5167.5-120.8-32.4000106.5
420S36.9Very low36.7Very low88 Ų88152.6 Ų152.662%0.61582%0.82SS**  trans-103.9153.4-173.4-70.90000112.2D418D418-S420 PolarHBondContact OD1-N 3.4Å; D418-S420 PolarHBondContact OD1-OG 3.49Å
421D38.5Very low36.8Very low145 Ų145151.6 Ų151.678%0.77582%0.819SS**  trans87.3104.8176.4-66.5-26.2000119.2
422D43.4Very low36.7Very low176 Ų176152.1 Ų152.194%0.94181%0.808SS**  trans-146.6113.5132.7-116.3-23.4000107.3
423R47.5Very low36.7Very low233 Ų233150.3 Ų150.388%0.87981%0.81SS**  trans-115.3108.3-176.4-89.7-173.9171.8-118.34.8111.6
424E37.8Very low36.9Very low194 Ų194147.9 Ų147.991%0.90781%0.81SS**  trans-139.286.1157.5-65.3-171.1163.200106.8
425D36.7Very low36.9Very low166 Ų166150.3 Ų150.389%0.88881%0.813SS**  82.292.690.8-159.246.8000111.9
426E37.6Very low36.9Very low185 Ų185153.1 Ų153.186%0.86482%0.819SS**  trans-83.6131.4176.5-75.1-88.7149.700110
427G32.1Very low36.6Very low75 Ų75153.1 Ų153.177%0.77382%0.818SS**  trans-126.9105.1172.400000110.8
428E37.6Very low35.9Very low182 Ų182155.2 Ų155.285%0.8582%0.82SS**  trans-69.2142.2176.6-64170.4121.100111.9
429D31.8Very low35.6Very low164 Ų164153.6 Ų153.688%0.87783%0.825SS**  trans-151.8130.9148.7-168.825000109.5
430D33.8Very low35.2Very low157 Ų157153.8 Ų153.884%0.8483%0.825SS**  trans-90.5117-171.1-77.8-54.2000111.8
431G29.8Very low35.2Very low67 Ų67156.3 Ų156.369%0.69183%0.831SS**  trans-145.9118.2-170.400000117.4
432E32.7Very low34.6Very low133 Ų133159.1 Ų159.162%0.62184%0.837SS**  trans67.848.6148.2-52.5-165.6135.800119.7L434 R435E432-L434 PolarHBondContact O-N 2.93Å; E432-R435 IonicContact OE1-CZ 3.45Å; E432-R435 IonicContact OE1-NH1 2.79Å; E432-R435 PolarHBondContact OE1-NH1 2.83Å; E432-R435 IonicContact OE1-NH2 3.21Å; E432-R435 PolarHBondContact OE1-NH2 3.13Å; E432-R435 IonicContact OE2-CZ 3.95Å; E432-R435 IonicContact OE2-NH1 2.81Å; E432-R435 PolarHBondContact OE2-NH1 2.89Å; E432-R435 IonicContact OE2-NH2 3.16Å; E432-R435 PolarHBondContact OE2-NH2 2.92Å
433T33.9Very low34.4Very low151 Ų151160.2 Ų160.293%0.92684%0.836SS**SBendtrans-65.861.3146-570000110.5
434L38Very low33.3Very low156 Ų156152.4 Ų152.482%0.81783%0.828SS**  trans-16546.6-178.4-118.7178.6000116.5E432E432-L434 PolarHBondContact O-N 2.93Å
435R36.3Very low32.9Very low188 Ų188147.7 Ų147.771%0.70982%0.822SS**  trans-129.121.3171.1-75.4-149.7-178.691.421.3117.9E432 L437E432-R435 IonicContact OE1-CZ 3.45Å; E432-R435 IonicContact OE1-NH1 2.79Å; E432-R435 PolarHBondContact OE1-NH1 2.83Å; E432-R435 IonicContact OE1-NH2 3.21Å; E432-R435 PolarHBondContact OE1-NH2 3.13Å; E432-R435 IonicContact OE2-CZ 3.95Å; E432-R435 IonicContact OE2-NH1 2.81Å; E432-R435 PolarHBondContact OE2-NH1 2.89Å; E432-R435 IonicContact OE2-NH2 3.16Å; E432-R435 PolarHBondContact OE2-NH2 2.92Å; R435-L437 VanDerWaalsContact C-N 3.27Å; R435-L437 PolarHBondContact O-N 2.96Å
436L36.7Very low32.9Very low173 Ų173144.9 Ų144.991%0.90681%0.813SS**  trans-79.371.7162.3-74.6177000111.3
437L30.2Very low32.7Very low160 Ų160143.7 Ų143.784%0.83881%0.813SS**SBendtrans172.679.6155.8-98.5158.3000112.8R435R435-L437 VanDerWaalsContact C-N 3.27Å; R435-L437 PolarHBondContact O-N 2.96Å
438N28.7Very low33Very low162 Ų162144.6 Ų144.687%0.86681%0.807SS**  trans168.3115.6138.4-100.6-59.2000112.7
439A27.6Very low33.2Very low100 Ų100140.3 Ų140.383%0.82679%0.789SS**  trans179.869.6143.700000111N441A439-N441 PolarHBondContact O-N 3.47Å
440L31.5Very low33.6Very low175 Ų175135.2 Ų135.292%0.91678%0.775SS**  trans-64.1128.2161.3-102.6164.9000109
441N36.8Very low34.3Very low140 Ų140130.9 Ų130.975%0.74975%0.752SS**  trans44.789.7167.8-172.213.9000117.2A439A439-N441 PolarHBondContact O-N 3.47Å
442K27.1Very low35.4Very low204 Ų204129.7 Ų129.789%0.88773%0.729SS**  trans-131.3128.2140.3-76.2-158.2174.1-173.50111.7G444K442-G444 PolarHBondContact O-N 2.87Å
443Q37.7Very low36.6Very low199 Ų199123.7 Ų123.793%0.9370%0.701SS**  trans-74.291.5-177.2-157.117037.500110.3
444G25Very low37.7Very low69 Ų69117.4 Ų117.471%0.71166%0.664SS**PPolyproline II helixtrans-94.9144.7176.300000112.4K442K442-G444 PolarHBondContact O-N 2.87Å
445A29.9Very low38.9Very low95 Ų95110.4 Ų110.479%0.78563%0.627SS**PPolyproline II helixtrans-69145.317800000111.7
446P37Very low39.8Very low107 Ų107101.5 Ų101.570%0.69559%0.594SS**PPolyproline II helixtrans-65.5139.6177.427.5-34.9000111.4C448P446-C448 VanDerWaalsContact C-N 3.31Å; P446-C448 PolarHBondContact O-N 3.36Å; P446-C448 PolarHBondContact O-SG 2.8Å
447D31.8Very low40.3Very low161 Ų16197.2 Ų97.286%0.86157%0.568SS**  trans-64.784.3179.9-93-41.7000112.6L449D447-L449 PolarHBondContact O-N 3.11Å
448C38.2Very low40.8Very low94 Ų9490.6 Ų90.664%0.63554%0.537SS*.  trans-72.975.2178.8-66.60000110.8P446 G450P446-C448 VanDerWaalsContact C-N 3.31Å; P446-C448 PolarHBondContact O-N 3.36Å; P446-C448 PolarHBondContact O-SG 2.8Å; C448-G450 PolarHBondContact O-N 3.4Å
449L43.3Very low41.2Very low91 Ų9187.3 Ų87.348%0.47652%0.522SS..  trans-48.6104.4175.7-76.1169.9000110.6H19 D447 D451H19-L449 PolarHBondContact CD2-O 2.93Å; H19-L449 PolarHBondContact NE2-O 3.34Å; D447-L449 PolarHBondContact O-N 3.11Å; L449-D451 PolarHBondContact O-N 2.83Å
450G40.3Very low41.8Very low58 Ų5887.1 Ų87.160%0.59851%0.507SS*.  trans-7610.4-171.100000115.7C448C448-G450 PolarHBondContact O-N 3.4Å
451D48.5Very low41.9Very low66 Ų6680.4 Ų80.435%0.35348%0.481SS..  trans-83.6128.3-168.7-106.5-7.2000112.6K91 Q94 L449 I453K91-D451 IonicContact NZ-OD1 2.8Å; K91-D451 IonicContact NZ-OD2 2.82Å; K91-D451 PolarHBondContact NZ-OD2 3.45Å; Q94-D451 PolarHBondContact NE2-O 2.69Å; L449-D451 PolarHBondContact O-N 2.83Å; D451-I453 PolarHBondContact O-N 3.32Å
452E52.8Low41.6Very low42 Ų4280.4 Ų80.420%0.19649%0.486CS..  trans-75.7110.3-160.6-48.7-171.3139.500115.5K17 R32 K90K17-E452 VanDerWaalsContact CE-OE2 3.25Å; K17-E452 WeakPolarHBondContact CE-OE2 3.31Å; K17-E452 IonicContact NZ-OE1 2.7Å; K17-E452 PolarHBondContact NZ-OE1 3.04Å; K17-E452 IonicContact NZ-OE2 3.98Å; K17-E452 PolarHBondContact NZ-OE2 2.89Å; R32-E452 IonicContact CZ-OE1 2.68Å; R32-E452 IonicContact NH1-OE1 2.66Å; R32-E452 PolarHBondContact NH1-OE1 3.35Å; R32-E452 IonicContact NH2-OE1 2.7Å; K90-E452 HydrophobicContact CD-CB 4.22Å; K90-E452 VanDerWaalsContact CE-OE2 3.25Å; K90-E452 WeakPolarHBondContact CE-OE2 3.15Å; K90-E452 IonicContact NZ-OE2 2.64Å; K90-E452 PolarHBondContact NZ-OE2 3.44Å
453I56.4Low41.8Very low6 Ų679 Ų793%0.03149%0.487CS..EExtended strand (participates in β ladder)trans-94.2152.7171.6-53.9160.8000110.1K17 V18 I20 F70 F87 I98 D451K17-I453 WeakPolarHBondContact CA-O 3.37Å; V18-I453 HydrophobicContact CG2-CB 4.36Å; V18-I453 HydrophobicContact CG2-CG2 4.32Å; V18-I453 PolarHBondContact N-O 2.9Å; I20-I453 HydrophobicContact CB-CD1 4.06Å; I20-I453 HydrophobicContact CD1-CD1 3.97Å; I20-I453 HydrophobicContact CD1-CG2 3.95Å; I20-I453 HydrophobicContact CG1-CD1 3.92Å; F70-I453 HydrophobicContact CZ-CG2 4.46Å; F87-I453 HydrophobicContact CB-CG2 4.25Å; F87-I453 HydrophobicContact CD1-CG2 4.43Å; I98-I453 HydrophobicContact CD1-CD1 3.59Å; I98-I453 HydrophobicContact CD1-CG1 4.26Å; D451-I453 PolarHBondContact O-N 3.32Å
454A58.4Low41.5Very low20 Ų2076.7 Ų76.717%0.16548%0.48CS..EExtended strand (participates in β ladder)trans-131.7134.1174.200000112.7K15 K16 K88K15-A454 HydrophobicContact CB-CB 4.08Å; K16-A454 CarbonylContact O-C 3.6Å; K16-A454 VanDerWaalsContact O-CA 3.29Å; K16-A454 WeakPolarHBondContact O-CA 3.43Å; K88-A454 PolarHBondContact N-O 2.89Å; K88-A454 PolarHBondContact O-N 2.93Å
455I63.8Low41.8Very low8 Ų879.1 Ų79.14%0.04148%0.484CS..EExtended strand (participates in β ladder)trans-84144.9179.2-42.1-173.2000111.3K16 V18 V29 V49 F87 F457K16-I455 PolarHBondContact O-N 3.27Å; V18-I455 HydrophobicContact CB-CD1 4.21Å; V18-I455 HydrophobicContact CB-CG1 4.1Å; V18-I455 HydrophobicContact CG1-CD1 3.55Å; V18-I455 HydrophobicContact CG1-CG1 3.62Å; V18-I455 HydrophobicContact CG2-CD1 3.91Å; V18-I455 HydrophobicContact CG2-CG1 3.4Å; V18-I455 VanDerWaalsContact CG2-CG1 3.4Å; V29-I455 HydrophobicContact CG1-CD1 3.62Å; V49-I455 HydrophobicContact CG1-CD1 4.29Å; F87-I455 HydrophobicContact CD1-CB 4.29Å; F87-I455 HydrophobicContact CD1-CG1 3.87Å; F87-I455 HydrophobicContact CD1-CG2 4.11Å; F87-I455 HydrophobicContact CE1-CB 4.42Å; F87-I455 HydrophobicContact CE1-CD1 3.96Å; F87-I455 HydrophobicContact CE1-CG1 3.8Å; F87-I455 HydrophobicContact CE1-CG2 4Å; I455-F457 HydrophobicContact CD1-CD2 4.49Å; I455-F457 HydrophobicContact CG2-CB 3.9Å; I455-F457 HydrophobicContact CG2-CD2 4.06Å; I455-F457 HydrophobicContact CG2-CG 4.4Å
456M54.5Low41.7Very low1 Ų180.8 Ų80.81%0.00548%0.484CS..EExtended strand (participates in β ladder)trans-112.685.5158.9-59.5-179.2-6000108I4 R5 F8 K15 I69 V86 K88 A458I4-M456 HydrophobicContact CG2-CB 3.96Å; I4-M456 VanDerWaalsContact CG2-O 3.28Å; I4-M456 WeakPolarHBondContact CG2-O 3.48Å; R5-M456 HydrophobicContact CG-CE 4.22Å; F8-M456 HydrophobicContact CD1-CB 4.36Å; F8-M456 HydrophobicContact CD1-CG 4.43Å; F8-M456 HydrophobicContact CD2-CB 4.17Å; F8-M456 HydrophobicContact CE1-CB 4.44Å; F8-M456 HydrophobicContact CE2-CB 4.26Å; F8-M456 HydrophobicContact CG-CB 4.24Å; F8-M456 HydrophobicContact CZ-CB 4.42Å; K15-M456 HydrophobicContact CD-CG 3.71Å; K15-M456 HydrophobicContact CD-SD 4.13Å; K15-M456 VanDerWaalsContact CE-SD 3.54Å; K15-M456 HydrophobicContact CG-CG 4.17Å; K15-M456 PolarHBondContact NZ-SD 2.99Å; I69-M456 HydrophobicContact CD1-CE 4.17Å; I69-M456 HydrophobicContact CG2-CE 4.03Å; V86-M456 HydrophobicContact CG1-CE 3.6Å; V86-M456 PolarHBondContact O-N 2.93Å; K88-M456 HydrophobicContact CB-CE 4.43Å; M456-A458 PolarHBondContact O-N 3.27Å
457F46.7Very low41.2Very low83 Ų8384.3 Ų84.336%0.36449%0.488SS..  trans-84112.3-169.3-155.8-61.7000111.2F8 V49 M50 I455F8-F457 WeakPolarHBondContact CE2-O 3.3Å; F8-F457 VanDerWaalsContact CZ-O 3.3Å; F8-F457 WeakPolarHBondContact CZ-O 3.15Å; V49-F457 HydrophobicContact CG1-CD2 4.27Å; V49-F457 HydrophobicContact CG1-CE2 3.87Å; M50-F457 HydrophobicContact CE-CD2 4.24Å; M50-F457 HydrophobicContact CE-CE2 3.57Å; M50-F457 HydrophobicContact CE-CZ 4.3Å; I455-F457 HydrophobicContact CD1-CD2 4.49Å; I455-F457 HydrophobicContact CG2-CB 3.9Å; I455-F457 HydrophobicContact CG2-CD2 4.06Å; I455-F457 HydrophobicContact CG2-CG 4.4Å
458A40Very low41.1Very low22 Ų2283 Ų8318%0.18248%0.479CS..  trans-141.1106.7170.200000109.8I4 F8 M456 L460I4-A458 HydrophobicContact CB-CB 4.35Å; I4-A458 HydrophobicContact CD1-CB 3.99Å; I4-A458 HydrophobicContact CG1-CB 3.83Å; I4-A458 HydrophobicContact CG2-CB 3.82Å; F8-A458 HydrophobicContact CE2-CB 4.44Å; M456-A458 PolarHBondContact O-N 3.27Å; A458-L460 PolarHBondContact O-N 3.48Å
459T37.3Very low40.6Very low92 Ų9286.1 Ų86.156%0.56449%0.485SS*.  trans-64.6124.2172.6-44.80000109.1G461T459-G461 PolarHBondContact O-N 2.99Å
460L41.6Very low39.8Very low96 Ų9689.8 Ų89.850%0.50350%0.499SS..  trans-94.374171.6-157.177.4000109A458A458-L460 PolarHBondContact O-N 3.48Å
461G32.5Very low39.2Very low35 Ų3596.6 Ų96.636%0.36151%0.512SS..  trans-154.7142.1179.400000110.2T459T459-G461 PolarHBondContact O-N 2.99Å
462T30Very low38.2Very low139 Ų13998.5 Ų98.585%0.85353%0.531SS*.  trans42.7105.1176.940.80000117.8L464T462-L464 PolarHBondContact O-N 3.41Å
463L32.9Very low37Very low176 Ų176101.9 Ų101.992%0.92156%0.559SS**  trans-67.7118.4157.8-80.2167.2000109.7
464L30Very low35.5Very low149 Ų149109.9 Ų109.978%0.7860%0.601SS**  trans-123.1130.7156.6-89.4167.7000108.2T462 V466T462-L464 PolarHBondContact O-N 3.41Å; L464-V466 PolarHBondContact O-N 2.92Å; L464-V466 VanDerWaalsContact O-N 3.11Å
465P31.8Very low33.9Very low121 Ų121117.1 Ų117.179%0.78663%0.631SS**  trans-76.9102.7-173.129.7-33.9000111.3K467P465-K467 PolarHBondContact O-N 2.87Å
466V28.9Very low32.2Very low130 Ų130123.5 Ų123.579%0.78866%0.664SS**  trans-66.1100.4165.9178.70000108.2L464 I468L464-V466 PolarHBondContact O-N 2.92Å; L464-V466 VanDerWaalsContact O-N 3.11Å; V466-I468 HydrophobicContact CG1-CG1 4.38Å; V466-I468 PolarHBondContact O-N 3.36Å
467K25.1Very low30.8Very low180 Ų180130.2 Ų130.278%0.78370%0.698SS**  trans-76.384.6-176.6-168.1164.5-174.41700110.9P465 Q469P465-K467 PolarHBondContact O-N 2.87Å; K467-Q469 PolarHBondContact O-N 3.45Å; K467-Q469 VanDerWaalsContact O-N 3.15Å
468I29.8Very low29.7Very low133 Ų133131.8 Ų131.868%0.68272%0.72SS**  trans-65.3110172.4-58.5174.6000108.5V466 H470V466-I468 HydrophobicContact CG1-CG1 4.38Å; V466-I468 PolarHBondContact O-N 3.36Å; I468-H470 HydrophobicContact CG2-CB 4.45Å
469Q27.6Very low29.1Very low160 Ų160139.6 Ų139.675%0.74875%0.753SS**  trans-86.6130.9163.2-75.9-72.315.500109.1K467K467-Q469 PolarHBondContact O-N 3.45Å; K467-Q469 VanDerWaalsContact O-N 3.15Å
470H27.1Very low29.2Very low168 Ų168139.8 Ų139.878%0.77876%0.755SS**  trans-144.198.2-178.7-147.3-82.2000110.1I468I468-H470 HydrophobicContact CG2-CB 4.45Å
471K27.2Very low28.5Very low201 Ų201141.9 Ų141.987%0.87477%0.767SS**  trans-178.2142.5172-105.9167.7-177.2-176.30107.9
472S28.5Very low28.1Very low107 Ų107146.9 Ų146.975%0.74879%0.785SS**  cis-158.2152.8-27.1-103.10000107.1
473S26.6Very low28Very low113 Ų113146.1 Ų146.179%0.7978%0.781SS**  trans-75.8135.5170-172.70000110.4
474L25.8Very low27.7Very low174 Ų174142.3 Ų142.391%0.91177%0.769SS**  trans-137.9142.1156.2-78.7180000108.8
475H24.4Very low27.8Very low172 Ų172140.7 Ų140.780%0.79677%0.77SS**  trans-144144.7179.1-165.1-64.8000105.2
476I26.9Very low27.7Very low141 Ų141138.9 Ų138.972%0.72377%0.765SS**  trans159.9126154.2-89.1-71.1000111.9
477I26.1Very low27.9Very low142 Ų142140.2 Ų140.273%0.72877%0.768SS**  trans54.1115.4154.7-62.5169000119.8
478S24.2Very low28.2Very low117 Ų117136.4 Ų136.482%0.81876%0.764SS**  -170.4120.8110.3-72.50000112.2
479E26.8Very low28.1Very low186 Ų186138 Ų13887%0.86977%0.774SS**  trans-103177.8155.3-113.7-169.716500107.4
480P39.9Very low28.2Very low95 Ų95136.4 Ų136.462%0.61778%0.78SS**  cis-141.6-174.822.644.6-26.1000117.1
481N25.9Very low28.2Very low140 Ų140131.5 Ų131.575%0.74978%0.775SS**  trans67.6148.3159.9-62.8-5.3000117.4
482D24.8Very low28.4Very low140 Ų140127.1 Ų127.175%0.74977%0.77SS**  cis-147.7-174.433.9-136.5-50.3000115.7
483T27.4Very low28.5Very low124 Ų124127.2 Ų127.276%0.76177%0.766SS**  trans-75.7166.6-169.659.70000115.3
484S27.4Very low28.5Very low96 Ų96132 Ų13267%0.67177%0.773SS**  cis-179.3152.448.954.90000115.6
485S31Very low28.9Very low114 Ų114131.2 Ų131.280%0.79777%0.768SS**  trans42.5151.5144.163.70000124.2
486A31.2Very low29.2Very low83 Ų83129.5 Ų129.569%0.68677%0.765SS**  cis-174.9175.9-16.500000111.5
487N31.3Very low29.4Very low159 Ų159127.2 Ų127.285%0.8576%0.762SS**  trans77143.5162.5-73.7-4.6000119.8
488S31.8Very low30.6Very low99 Ų99126.1 Ų126.169%0.69276%0.764SS**  cis-157.2152.8-3.846.40000116.3
489N27.9Very low30.7Very low167 Ų167125.9 Ų125.989%0.89376%0.762SS**  trans69.1156.8149.6-8317.5000123.5
490S29.8Very low30.8Very low126 Ų126122.7 Ų122.788%0.88176%0.76SS**  trans-155.6169.1-167.758.10000112.2
491G26.6Very low30.1Very low65 Ų65121.9 Ų121.967%0.6777%0.769SS**  trans-158.7127.916200000107.2
492S31.9Very low30.2Very low109 Ų109119 Ų11976%0.76277%0.772SS**  63.2124.961.3-148.50000111
493T30.6Very low30.8Very low110 Ų110120.6 Ų120.668%0.67578%0.776SS**  cis-161.4157.513.3-20.90000109.3
494F27Very low31.2Very low213 Ų213121.1 Ų121.193%0.93477%0.769SS**  trans-159.1160.2147.1-115.8-75.2000112.3
495I34.2Very low31.8Very low158 Ų158126.2 Ų126.281%0.8177%0.774SS**  trans-123.9165.2-166.2-65.2174.9000110.9
496D31Very low32.1Very low135 Ų135127.8 Ų127.872%0.72277%0.773SS**  trans-96.3144.2-160.4-167.34.9000115.6
497S29.5Very low32.7Very low94 Ų94132.4 Ų132.466%0.65778%0.777SS**  trans60.8174.7151.6-77.20000120.6
498P52.6Low33Very low119 Ų119131.9 Ų131.977%0.77377%0.774SS**  -136.5-165.8-52.140.6-24.8000113.3
499S25.3Very low33.4Very low111 Ų111131.9 Ų131.978%0.77678%0.78SS**  trans116.1123.5141.7-156.40000120.9
500S30Very low34.3Very low119 Ų119130.9 Ų130.983%0.83277%0.773SS**  trans53.1127.5138.4-159.20000124.4
501G25.9Very low34.6Very low78 Ų78132.9 Ų132.980%0.80477%0.774SS**  115.6115.2127.800000118.2
502G27.6Very low35.5Very low80 Ų80137.7 Ų137.783%0.82578%0.784SS**  trans166.9116.4168.200000115.8
503Q35.8Very low35.5Very low174 Ų174135.8 Ų135.881%0.81378%0.781SS**  trans-76.4172.2170.7-48.7174.110.700109.8
504Q36.5Very low36.2Very low135 Ų135141 Ų14163%0.63179%0.794SS**  cis-174.7177.427.9-150.5179.178.500110.3
505R40.6Very low36.8Very low202 Ų202135.2 Ų135.276%0.76279%0.786SS**  trans81.399.3153.2-66.9165.3178.6-132.4-7.7122.6
506L37.8Very low36.8Very low148 Ų148134.9 Ų134.978%0.77579%0.791SS**  42.4109.4110.5-65.6172.7000120.6
507K43.1Very low36.9Very low180 Ų180132 Ų13278%0.78379%0.794SS**  171.9148100.9-97149.2-175.9178.70115.9
508N37.9Very low37.3Very low148 Ų148132.6 Ų132.679%0.79180%0.804SS**  trans51.1106.5149.9-57.47000120.1
509A39.8Very low36.4Very low98 Ų98136.2 Ų136.281%0.8181%0.807SS**  trans-86.3151.4147.400000110.4
510I46.8Very low36.8Very low147 Ų147136.6 Ų136.675%0.75481%0.805SS**  trans-163.5138.6155.7-100.9147.5000107.8L512I510-L512 HydrophobicContact CG2-CD1 3.87Å
511N35.2Very low36.9Very low168 Ų168137.8 Ų137.890%0.89880%0.802SS**  trans-85.7129.4167.9-68.7-84.1000108.7
512L46.3Very low37.5Very low166 Ų166139.2 Ų139.287%0.86979%0.791SS**  trans-88115.5164.7-106.677.7000110.5I510I510-L512 HydrophobicContact CG2-CD1 3.87Å
513G32.3Very low38.3Very low69 Ų69142.6 Ų142.671%0.71179%0.79SS**  trans-87.2-177.3166.100000112.8
514K45.4Very low38.5Very low219 Ų219140.2 Ų140.295%0.95278%0.782SS**  trans-59.5134.8-177.3-52.8166.1-176.5175.30113.3
515A38.9Very low38.4Very low92 Ų92142.4 Ų142.476%0.7678%0.784SS**  trans-167158.1160.200000108.5
516V33.4Very low38.4Very low150 Ų150142.7 Ų142.791%0.90979%0.785SS**  cis-161.7153.9-19130.30000105.5
517G34.7Very low38.1Very low76 Ų76144.9 Ų144.978%0.78479%0.788SS**  trans158.4125.516600000114.3
518A37.5Very low37.5Very low105 Ų105144.1 Ų144.187%0.86879%0.788SS**  trans-147.3168.4178.400000111.6
519K33.8Very low37.5Very low195 Ų195142.6 Ų142.685%0.84879%0.786SS**  trans116.5141.3147.6-152.2-175.7-177.1178.90115.8
520V34Very low36.9Very low120 Ų120142.9 Ų142.973%0.72778%0.782SS**  trans75.3130.1172.3-168.40000113.7
521N31.5Very low36.1Very low144 Ų144143.6 Ų143.677%0.7778%0.782SS**  cis-142.3-179.83.2-147.711.2000114.6
522D37.6Very low36Very low107 Ų107142.8 Ų142.857%0.57278%0.777SS**  trans-36.2165.7156.8-128.2-10.5000114.8L524D522-L524 PolarHBondContact OD1-N 3.02Å
523L44.7Very low35.2Very low152 Ų152138 Ų13880%0.79677%0.767SS**  cis-136.7145.541.5-88.493.7000118.1
524L39.9Very low34.9Very low123 Ų123142 Ų14264%0.64477%0.772SS**  trans-51.2147.1159.2-80.6161.5000118.6D522D522-L524 PolarHBondContact OD1-N 3.02Å
525R36Very low34.2Very low181 Ų181139 Ų13968%0.68377%0.765SS**  trans93.2141.4148.6-70.9168.9-61.3-175.2-0.4121.8
526R39.5Very low33.7Very low209 Ų209137.6 Ų137.679%0.78976%0.759SS**  trans84.1124.6164.7-60.3126.5177.1172.2-5.3115
527K31.7Very low33.5Very low193 Ų193136.7 Ų136.784%0.83975%0.754SS**  cis107.4117.418.5-179.4172.1174.51780112.4
528E31.4Very low33.3Very low165 Ų165139.9 Ų139.977%0.77176%0.759SS**  trans-44.1147.6165.4-64.1-64.7149.400113.7
529P37.5Very low33.1Very low115 Ų115141.9 Ų141.975%0.74775%0.75SS**  -143.6144.5109.736.7-22.5000116.8
530S27.3Very low33.2Very low105 Ų105139.8 Ų139.873%0.73475%0.753SS**  trans-40.8160.7155.6530000118.1
531H30Very low33Very low162 Ų162138.1 Ų138.175%0.7574%0.74SS**  138.5131.1116.1-164-129.8000117.4
532L33.1Very low33.8Very low151 Ų151139.5 Ų139.579%0.79174%0.739SS**  trans73.1141.3144.6-164.169.7000124.2
533G29.1Very low33.7Very low64 Ų64141.2 Ų141.266%0.6675%0.749SS**  trans85.3127.9155.600000115.8
534D26.7Very low33.2Very low154 Ų154141.1 Ų141.182%0.82475%0.754SS**  cis76.8139.411.1-156.226.2000118.7
535I29.9Very low32.8Very low155 Ų155138.8 Ų138.880%0.79576%0.76SS**  trans67136.6-178-45.7171.4000114.8
536G28.5Very low32.6Very low63 Ų63134.6 Ų134.665%0.64976%0.764SS**  cis160.2156.7-9.500000113.9
537V28.1Very low32.2Very low132 Ų132131.7 Ų131.780%0.877%0.769SS**  trans56.3122.8154.4-151.70000121
538T31Very low32.1Very low143 Ų143131.7 Ų131.788%0.87777%0.769SS**  171.9158.7117.133.10000115.3
539E34.2Very low32.7Very low146 Ų146129.9 Ų129.968%0.68277%0.771SS**  trans-102.6145.4-178179.3-151.8143.900111.9N541E539-N541 PolarHBondContact OE1-ND2 3Å
540V34.5Very low32.1Very low151 Ų151127.9 Ų127.992%0.91577%0.772SS**  trans-138.4156.2157.8-1700000109.8
541N30.4Very low32.1Very low86 Ų86128.6 Ų128.646%0.4678%0.777SS.*  trans-150.4161.8-145.6-169.7-28.6000113.2E539E539-N541 PolarHBondContact OE1-ND2 3Å
542K49.3Very low32Very low172 Ų172128.4 Ų128.475%0.74878%0.78SS**  trans70.7161.8176.4-65.1108.1-171.8160.50115.8
543N33.7Very low31.9Very low144 Ų144124.9 Ų124.977%0.7777%0.773SS**  cis-150152.421.335.725.7000115.8
544V35.9Very low32.3Very low149 Ų149128 Ų12890%0.90378%0.782SS**  trans40.8127.4147.6-176.90000119.3
545G31.6Very low32.4Very low75 Ų75127 Ų12777%0.77377%0.772SS**  cis176.9-157.79.400000108.9
546A31.1Very low32.5Very low92 Ų92127.8 Ų127.876%0.7678%0.776SS**  cis-167.9-167.5-7.600000109.8
547V30Very low32.6Very low148 Ų148130.1 Ų130.190%0.89777%0.774SS**  trans75.6146.4174.1-173.70000116.9
548K31.6Very low33.5Very low194 Ų194128.8 Ų128.884%0.84377%0.768SS**  trans-133.1177-173.4-103.1-174.6178.7-179.20108.9
549P42.5Very low33.3Very low126 Ų126130.2 Ų130.282%0.81876%0.762SS**  cis-129.2176.37.241.7-25.9000115.2
550G25.7Very low33Very low73 Ų73131.9 Ų131.975%0.75377%0.768SS**  trans171.1113.1168.300000111.9L552G550-L552 PolarHBondContact O-N 3.3Å; G550-L552 VanDerWaalsContact O-N 3.09Å
551S26.7Very low33Very low121 Ų121130.6 Ų130.685%0.84676%0.762SS**  trans-54106.6-167.5-169.60000116.1
552L29.2Very low33.6Very low157 Ų157133.7 Ų133.782%0.82278%0.778SS**  31.7110.3124.8-70.3168.1000118.7G550G550-L552 PolarHBondContact O-N 3.3Å; G550-L552 VanDerWaalsContact O-N 3.09Å
553A30.8Very low32.6Very low78 Ų78133.6 Ų133.665%0.64579%0.785SS**  trans-78.7-178.8134.400000110.2
554P35.9Very low32.7Very low130 Ų130135.1 Ų135.184%0.84479%0.785SS**  -123.9129119.934.4-31.2000113.8
555E29.6Very low32.2Very low132 Ų132133.5 Ų133.562%0.61778%0.78SS**  trans-75.6142.1155.1-101.9-81.3168.500109.8N557E555-N557 VanDerWaalsContact CD-ND2 3.25Å; E555-N557 PolarHBondContact OE1-ND2 3.44Å; E555-N557 WeakPolarHBondContact OE2-CB 3.3Å; E555-N557 PolarHBondContact OE2-N 2.78Å; E555-N557 PolarHBondContact OE2-ND2 2.99Å
556I31.4Very low32.6Very low172 Ų172135 Ų13588%0.88278%0.779SS**  -149.294.2128.6-62.1-162.8000109
557N31.4Very low32.4Very low111 Ų111138.8 Ų138.859%0.59478%0.781SS**  trans-76.4-176.9149-84-73.8000111.1E555E555-N557 VanDerWaalsContact CD-ND2 3.25Å; E555-N557 PolarHBondContact OE1-ND2 3.44Å; E555-N557 WeakPolarHBondContact OE2-CB 3.3Å; E555-N557 PolarHBondContact OE2-N 2.78Å; E555-N557 PolarHBondContact OE2-ND2 2.99Å
558P46.3Very low32.7Very low104 Ų104139.6 Ų139.668%0.67578%0.776SS**  cis-131.7-179-26.932.4-14.1000113
559F26.9Very low32.7Very low174 Ų174140 Ų14076%0.76378%0.779SS**  -168.2159118.6-125.7-98.5000114
560F28.2Very low32Very low181 Ų181140.7 Ų140.779%0.79478%0.776SS**  trans72.291.5177.4-74.5-73.3000119.6
561P35.2Very low32.5Very low124 Ų124141.4 Ų141.481%0.80577%0.769SS**  trans-85.3163.2161.235.8-33.9000113.3
562L43Very low32.7Very low150 Ų150145.9 Ų145.979%0.78577%0.773SS**  trans-65.9160.9177.4-60.3167.1000113.5
563L27.1Very low33.2Very low170 Ų170143.7 Ų143.789%0.8977%0.769SS**  trans-135.292.2151-160.171.5000112.4
564F36Very low33.7Very low176 Ų176150.4 Ų150.477%0.77278%0.777SS**  trans-66.7148.9153-93.6-99.3000109.4
565S26.1Very low33.7Very low116 Ų116152.1 Ų152.181%0.81178%0.779SS**  trans-140.6122.9159.5-170.30000110.2
566S39.2Very low34.2Very low106 Ų106152.3 Ų152.374%0.74178%0.784SS**  trans-108.8135.8-177.7-60.10000109.9
567H28Very low34.9Very low172 Ų172149.6 Ų149.680%0.79678%0.778SS**  trans-143.2140.6157.6-161-79.5000111.3
568M36.3Very low35.3Very low164 Ų164149.9 Ų149.981%0.80879%0.785SS**  trans-80.4165.6-178.2-50.6-178.3-164.300112.4
569F31Very low34.9Very low203 Ų203150.6 Ų150.689%0.8979%0.79SS**  -147.8164.8121.7-102.8-67.8000110.4
570D27.7Very low35.6Very low141 Ų141148.5 Ų148.575%0.75479%0.794SS**  trans-115.7162-155.4-168-10.4000112.6
571S36.3Very low36.2Very low88 Ų88146.8 Ų146.862%0.61580%0.799SS**  trans71109.9151.2-74.90000120.8
572F30.8Very low36.6Very low214 Ų214144.2 Ų144.294%0.93980%0.795SS**  trans-145.4164142.8-88.8-62.3000109.1
573P40.8Very low36.7Very low111 Ų111147.2 Ų147.272%0.72180%0.801SS**  trans-91.3162-140.635.3-39.8000116.2
574R40.5Very low37.6Very low219 Ų219149.1 Ų149.183%0.82680%0.802SS**  trans-63.3146.5160.8-79.5-174.3173.2-175.3-1.3111.5
575L36.7Very low38Very low167 Ų167152.6 Ų152.687%0.87481%0.81SS**  trans-126.2133.8150.8-70173.2000106.9
576D38.6Very low38.9Very low136 Ų136153.3 Ų153.373%0.72781%0.81SS**PPolyproline II helixtrans-81.9142.3-176.3-63.7-55.1000112.1
577P46.7Very low38.9Very low115 Ų115154 Ų15475%0.74781%0.811SS**PPolyproline II helixtrans-76.9150.7171.832.3-34.3000111.8
578P39.9Very low39.5Very low117 Ų117157.3 Ų157.376%0.7682%0.817SS**PPolyproline II helixtrans-71.7156.8179.830.5-35.9000113
579P38.5Very low39.7Very low119 Ų119154 Ų15477%0.77382%0.815SS**PPolyproline II helixtrans-71.8145-175.929.2-35.7000113.2
580P41.6Very low40.2Very low130 Ų130152.8 Ų152.884%0.84482%0.817SS**PPolyproline II helixtrans-83.4122.2-176.831.9-34.2000113.2
581T39.3Very low41.4Very low145 Ų145155.7 Ų155.789%0.8982%0.823SS**  trans-92.8106.2164.749.90000110.1
582G43.5Very low42.1Very low70 Ų70156.6 Ų156.672%0.72283%0.825SS**  trans-79.8140.8-173.400000114.8
583K45.3Very low42.8Very low212 Ų212153.6 Ų153.692%0.92283%0.825SS**  trans-156.1138.1148.9-102.5142-172.1177.70109.5
584K47.7Very low43Very low211 Ų211156.8 Ų156.892%0.91783%0.83SS**  trans-88.5139.7-170.4-59.2175.8-178.6177.80111.4
585R43Very low43.2Very low249 Ų249154 Ų15494%0.9483%0.832SS**  trans-148.1139150.6-133.1171.5-171.71552.8109
586V45.1Very low43.6Very low131 Ų131154.5 Ų154.579%0.79483%0.831SS**PPolyproline II helixtrans-95.8135-170.7-167.30000109.3
587P39.8Very low44.1Very low120 Ų120156.1 Ų156.178%0.77984%0.837SS**PPolyproline II helixtrans-68.4136171.429-33.8000110.5
588R40.7Very low43.9Very low241 Ų241158.6 Ų158.691%0.90984%0.842SS**PPolyproline II helixtrans-88.7137.4173.5-169.2173178.797.6-7.7108.5
589A39.5Very low44Very low94 Ų94158.3 Ų158.378%0.77784%0.843SS**PPolyproline II helixtrans-64.3145.2-175.300000112.6
590L41.5Very low43.9Very low179 Ų179157.7 Ų157.794%0.93784%0.841SS**PPolyproline II helixtrans-67.7144.3166.7-66.3169.7000109.4
591K52.9Low43.5Very low201 Ų201159.1 Ų159.187%0.87484%0.842SS**  trans-111.4166.9178.1-147169.2-178.8-1740110.8
592T52.4Low43.8Very low107 Ų107157.2 Ų157.266%0.65683%0.832SS**  trans-71.4164.1-163.6410000114.7Q594T592-Q594 PolarHBondContact O-N 2.97Å
593T44.5Very low43.1Very low152 Ų152160.7 Ų160.793%0.93384%0.839SS**SBendtrans-70.130.6-173.342.40000115.7
594Q44.8Very low42.5Very low178 Ų178156.1 Ų156.183%0.83283%0.828SS**  trans-11525.2-174.6-154.6173.45.200112.8T592T592-Q594 PolarHBondContact O-N 2.97Å
595D45.4Very low41.5Very low161 Ų161150.8 Ų150.886%0.86182%0.824SS**SBendtrans-132.913.7-175.1-145.317.3000111.9
596M44.8Very low41Very low176 Ų176143.9 Ų143.987%0.86781%0.814SS**SBendtrans-109.87.7179.3-152-175.377.600112.8
597M48.1Very low40.9Very low170 Ų170143.3 Ų143.384%0.83781%0.812SS**  trans-138.692.3177.2-75.8-179.163.500109.9
598I42.5Very low40.4Very low168 Ų168146.1 Ų146.186%0.86282%0.815SS**  trans-172123.9139.9-92.9146.9000106.7
599S43.7Very low40.7Very low110 Ų110139.7 Ų139.777%0.76981%0.805SS**  trans-106.9131.3169.3530000109.7
600S36.5Very low40.3Very low106 Ų106139.4 Ų139.474%0.74180%0.803SS**  trans-159.990.4166.8-720000111.1
601D33Very low39.6Very low161 Ų161137.6 Ų137.686%0.86179%0.794SS**  47.3158.7124.8-66.7-4.1000123.3
602P45.6Very low38.7Very low104 Ų104133 Ų13368%0.67579%0.787SS**  trans-109.1154.9-160.639.9-31.8000115.8
603V28.7Very low38.6Very low144 Ų144133.4 Ų133.487%0.87379%0.791SS**  trans-135.3107.3164.5-178.30000106.5
604V32.8Very low39.1Very low116 Ų116130.8 Ų130.870%0.70378%0.777SS**  cis88.312345.8178.50000113
605A27Very low38.2Very low99 Ų99131.4 Ų131.482%0.81878%0.777SS**  trans-148.8124.4164.600000109.6
606S32.6Very low37.3Very low104 Ų104131 Ų13173%0.72777%0.774SS**  trans-150.9154.9178.1-63.10000110
607P42.1Very low37.2Very low118 Ų118128.4 Ų128.477%0.76677%0.771SS**  trans-96.8121.6147.532.7-24.1000109.2
608E30.2Very low36.2Very low179 Ų179125.7 Ų125.784%0.83677%0.768SS**  80152.476.6-87.9-155127.700114.5
609P47.1Very low36.6Very low106 Ų106122.8 Ų122.869%0.68876%0.76SS**  cis-131.4168.10.939.4-23.6000116.7
610A30Very low35.9Very low89 Ų89124.5 Ų124.574%0.73676%0.761SS**  trans65.3150.8153.500000119.7
611D26.1Very low35.7Very low141 Ų141126.6 Ų126.675%0.75476%0.759SS**  cis-153.6138.25.1-141.2-32000114.7
612S35.4Very low35.5Very low104 Ų104123.9 Ų123.973%0.72775%0.748SS**  trans61.6154.2147.5-70.40000125.4
613P49.4Very low34.7Very low115 Ų115123.6 Ų123.675%0.74775%0.749SS**  trans-119-140.4-157.638-15.9000112
614P55.5Low34.6Very low97 Ų97126.1 Ų126.163%0.6375%0.751SS**  cis-144.3-173.6-8.325.82.7000118.4
615F25.1Very low34.1Very low191 Ų191124 Ų12484%0.83875%0.753SS**  trans113.2161.4149.3-72.2-57.7000123.6
616L27.8Very low34.8Very low152 Ų152125.1 Ų125.180%0.79675%0.751SS**  trans-132-161.6-152.2-50.1160.8000111.2
617P41.4Very low34.6Very low123 Ų123126.3 Ų126.380%0.79975%0.75SS**  cis-136.9-160.6-15.737.4-13.8000115.9
618S27.5Very low34Very low113 Ų113128.4 Ų128.479%0.7975%0.749SS**  trans-81.5-158.2178.6-25.90000115.2
619P51.4Low33.8Very low107 Ų107125.1 Ų125.170%0.69574%0.741SS**  cis-128.2-14012.144.3-23.5000114.5
620D28.7Very low32.8Very low145 Ų145128.4 Ų128.478%0.77575%0.748SS**  cis-167-177.20.9-103.7-21.1000106.5
621E32.7Very low32.6Very low151 Ų151132.1 Ų132.171%0.70675%0.75SS**  cis-159.4-140.2-18.5-105-76.379.400113
622T27.5Very low32.5Very low103 Ų103130.9 Ų130.963%0.63275%0.748SS**  -156.1163.5-125.5-87.10000120.4
623S29Very low32Very low99 Ų99135.1 Ų135.169%0.69275%0.753SS**  trans103.2139.7150.373.80000127.1
624Q27.3Very low30.9Very low197 Ų197134.6 Ų134.692%0.92175%0.752SS**  trans75.4160139-76.7175.7-3.600127.1
625G22.3Very low29.5Very low71 Ų71135.5 Ų135.573%0.73276%0.756SS**  trans-123.2-149.9177.700000112.7
626P42.2Very low29.6Very low122 Ų122132 Ų13279%0.79275%0.75SS**  cis-147.5-16912.945.5-23.9000118.5
627N28.2Very low29.5Very low130 Ų130131.6 Ų131.670%0.69575%0.749SS**  trans62.3140145.9-80.229.2000128.7
628E29.3Very low29Very low161 Ų161134 Ų13475%0.75275%0.75SS**  trans94.1119.7132-81.9170.4-117.700127.4
629T25.9Very low29Very low110 Ų110134 Ų13468%0.67574%0.744SS**  91.4114.9125.2-54.30000125.9
630E27.2Very low28Very low176 Ų176137.4 Ų137.482%0.82275%0.748SS**  trans42.8139.1140-61.6-175.1138.400129.2
631E24.8Very low28Very low167 Ų167138.9 Ų138.978%0.7875%0.75SS**  trans82146134.1-83.6-129.6116.500128.2
632T24.2Very low27.7Very low115 Ų115134.6 Ų134.671%0.70675%0.747SS**  trans82.390.3153.852.70000126.4
633K25.6Very low27.9Very low192 Ų192138.9 Ų138.984%0.83576%0.76SS**  43.9122.1108.6-172.3-177179.5-178.90124.5
634S25.2Very low27.9Very low105 Ų105142.3 Ų142.373%0.73477%0.765SS**  trans177.4134.5139.725.30000109.3
635T27.2Very low28Very low116 Ų116139.5 Ų139.571%0.71275%0.752SS**  75.5131.257.457.30000116.2
636T26.8Very low28.2Very low116 Ų116144.3 Ų144.371%0.71275%0.753SS**  cis-128.4-114.33.6-16.70000115
637D25.3Very low27.4Very low144 Ų144141.5 Ų141.577%0.7775%0.746SS**  cis-152.2-170.25.1-63.7-79.7000112.1
638E30.7Very low27.1Very low175 Ų175141.1 Ų141.182%0.81875%0.753SS**  trans-109.3152.3-145.6-82.1-164.798.500121.1
639V28.5Very low26.9Very low111 Ų111137.6 Ų137.667%0.67375%0.747SS**  trans65.2122.8132.1172.90000123.4
640K30Very low26.8Very low180 Ų180140.5 Ų140.578%0.78375%0.753SS**  -177.4-167.494.8-146.1150.8-175.4-179.70116
641E27.6Very low26.9Very low175 Ų175136.2 Ų136.282%0.81876%0.755SS**  trans-120.7172-149.7-56.3157.7110.400115.6
642G27.7Very low26.9Very low62 Ų62131.7 Ų131.764%0.63975%0.754SS**  trans138106.8166.300000112.7
643E30.8Very low27Very low192 Ų192135.7 Ų135.790%0.89777%0.765SS**  69.6134.182.5-68.6179.3169.300113.6
644E28.5Very low27.1Very low172 Ų172134.3 Ų134.380%0.80476%0.761SS**  cis-154-165.310.4-137.5-170.217500113.9
645E29.5Very low27.2Very low137 Ų137135 Ų13564%0.6475%0.752SS**  trans-58179.1-177.1-54.8-173.112200117
646K27.3Very low27.4Very low172 Ų172135.1 Ų135.175%0.74874%0.74SS**  cis-164.5176.36.2-129.5154.9-164.3153.10107.7
647G25Very low27.4Very low64 Ų64141.5 Ų141.566%0.6675%0.751SS**  cis139.3134.5-8.100000114.1
648S22.8Very low27.7Very low121 Ų121142 Ų14285%0.84675%0.748SS**  trans69.5161174.9-104.40000118
649S24.4Very low27.5Very low88 Ų88142.1 Ų142.162%0.61575%0.749SS**  cis-155.7-172.7-8.2-129.30000112.9
650E23.5Very low27.6Very low171 Ų171143.5 Ų143.580%0.79975%0.752SS**  trans-42.7156.5177.2-53.5121.2109.800119.2
651G29.4Very low27.4Very low85 Ų85142.7 Ų142.788%0.87675%0.751SS**  97.3140.2109.100000120.3
652G25.3Very low27.5Very low72 Ų72141.9 Ų141.974%0.74275%0.751SS**  trans138.9118.3172.100000110.9
653E25.3Very low27.5Very low200 Ų200144.1 Ų144.194%0.93576%0.757SS**  cis89.6164.638.8-63.1-159.3152.800115.7
654E27.7Very low27.7Very low162 Ų162141.4 Ų141.476%0.75775%0.753SS**  trans-89.8151.9-138-88.4-176.2115.100119.9
655E28.7Very low28.1Very low119 Ų119139.1 Ų139.156%0.55675%0.753SS**  71.5127.1127.5-165.1152.9-106.300124.8
656R31Very low28.3Very low119 Ų119138.6 Ų138.645%0.44976%0.755SS.*  trans2.7145.5148.2-55.6165.4171.383.615.7120.7T146 G147T146-R656 PolarHBondContact OG1-NH1 3.25Å; G147-R656 PolarHBondContact O-NH1 3.25Å; G147-R656 PolarHBondContact O-NH2 2.67Å
657R27.1Very low28.6Very low251 Ų251138.5 Ų138.595%0.94776%0.762SS**  -138.9161121.2-73.4-154.8164.7-155.1-8.4111.8
658H31.2Very low29.1Very low154 Ų154142.1 Ų142.171%0.71377%0.765SS**  trans-112.5160.2-167.5-37.6156.8000113.8
659Q26.1Very low29.5Very low178 Ų178141.7 Ų141.783%0.83275%0.753SS**  trans-161.7123.4134.3-128.6147.54300116.4
660L30.8Very low29.8Very low140 Ų140146.9 Ų146.973%0.73376%0.764SS**  trans42.9148.5135.5-58.7-177.1000122.4
661Q26.6Very low30.2Very low163 Ų163144.8 Ų144.876%0.76276%0.758SS**  cis-172.5-170.3-20.4-150176.92.800108.9
662L28.1Very low30.8Very low157 Ų157146.6 Ų146.682%0.82276%0.755SS**  trans81.4137.9179-50.6175.1000114.6
663S28.7Very low31.4Very low109 Ų109149 Ų14976%0.76276%0.758SS**  cis-152.5169.3-6.4-95.10000111.5
664V33.9Very low31.6Very low135 Ų135147.7 Ų147.782%0.81876%0.756SS**  trans-126.5144.2-165.2168.80000109.3
665P38.6Very low31.6Very low124 Ų124148.5 Ų148.581%0.80576%0.76SS**  -149.41399837.5-18.3000118
666D32.7Very low31.5Very low126 Ų126147.3 Ų147.367%0.67477%0.765SS**  trans-82159.2154.2-150-17.1000109.4
667L33.5Very low31.3Very low170 Ų170153.1 Ų153.189%0.8979%0.787SS**  trans-150.6115.3168.8-144.180.1000113.1
668I36.5Very low31.3Very low141 Ų141145.6 Ų145.672%0.72378%0.778SS**  trans-125.6138.5-174.7-77.3172.9000111
669N29.8Very low31.3Very low112 Ų112147.7 Ų147.760%0.59979%0.785SS**  trans67.8152.4162.1-140.834.9000121.2D671N669-D671 PolarHBondContact ND2-OD1 2.81Å; N669-D671 PolarHBondContact ND2-OD2 3.4Å
670K30.9Very low32Very low196 Ų196144.4 Ų144.485%0.85278%0.779SS**  trans-143.299.1160.7-85.9-62.2-175.4-173.50110.4
671D32.2Very low31.7Very low127 Ų127142.9 Ų142.968%0.67978%0.779SS**  trans-77.3160.6172.1-51.9-84.6000112.8N669N669-D671 PolarHBondContact ND2-OD1 2.81Å; N669-D671 PolarHBondContact ND2-OD2 3.4Å
672P41.4Very low31.8Very low123 Ų123141.8 Ų141.880%0.79978%0.778SS**  trans-121.1163.313335.1-27.7000112.4
673P39.5Very low31.6Very low124 Ų124139.2 Ų139.281%0.80577%0.769SS**  trans-110.9174.1-137.940.6-37.2000117
674L28.5Very low31.5Very low171 Ų171144.6 Ų144.690%0.89577%0.772SS**  trans-94.1126.1168.4-88.4168.7000112.8
675E27.1Very low31.2Very low179 Ų179143.9 Ų143.984%0.83676%0.76SS**  trans-143.8154.3152.3-79.2-161.8-17300109.4
676S27.7Very low30.6Very low95 Ų95148.1 Ų148.166%0.66476%0.76SS**  cis-161.8160.9-33.365.30000110
677R26.7Very low30.2Very low241 Ų241146.4 Ų146.491%0.90976%0.764SS**  trans77.3152153.1-155.9175.8-177.1177.41.1120
678A26.6Very low29.9Very low92 Ų92144.3 Ų144.376%0.7676%0.763SS**  trans77.4100.4162.300000120.9
679K31.2Very low29.5Very low199 Ų199143 Ų14387%0.86577%0.767SS**  trans-79.8173.7134.5-60.9-177.2178.9179.80108.2
680P40.8Very low30.3Very low109 Ų109142.9 Ų142.971%0.70877%0.772SS**  cis-145.7179.613.945.7-26.7000118
681C25.4Very low30.2Very low107 Ų107138.8 Ų138.872%0.72376%0.759SS**  trans56.6124.8135.1-79.90000124.3
682D27.8Very low30Very low141 Ų141138 Ų13875%0.75476%0.764SS**  105.3145.9114.1-91-52.6000124.2
683V24.9Very low29.6Very low103 Ų103141.9 Ų141.962%0.62476%0.763SS**  trans75.4112.6142.7162.80000121.3
684W25.1Very low29.4Very low221 Ų221144.3 Ų144.384%0.83777%0.768SS**  trans70160.1144.7-71.614.5000118.2
685Q28.6Very low29.5Very low121 Ų121140.3 Ų140.357%0.56576%0.76SS**  cis-151.7148-12.6-125.7-172.753.500112.8
686R25Very low29.5Very low212 Ų212137.5 Ų137.580%0.876%0.76SS**  trans40.5111.6132.1-177.2176.9-79.7-171.8-4.2121.1
687A25.8Very low30Very low91 Ų91138.4 Ų138.475%0.75277%0.766SS**  trans68.2135.1136.300000122.5
688S26.7Very low31Very low125 Ų125133.1 Ų133.187%0.87476%0.763SS**  -159.9145.2121.233.50000113
689S28.9Very low31.3Very low114 Ų114136.6 Ų136.680%0.79777%0.767SS**  trans-119.8163.3160.8-1050000105.5
690P46.2Very low31.3Very low110 Ų110133.8 Ų133.871%0.71476%0.761SS**  -159.3-174.455.543.9-21.4000119.3
691D27.6Very low30.7Very low109 Ų109131.9 Ų131.958%0.58376%0.761SS**  trans38.7117.7148-84.8-84.8000123.4R693D691-R693 IonicContact OD1-CZ 3.42Å; D691-R693 IonicContact OD1-NE 2.81Å; D691-R693 PolarHBondContact OD1-NE 2.61Å; D691-R693 IonicContact OD1-NH2 3.1Å; D691-R693 PolarHBondContact OD1-NH2 3.31Å; D691-R693 VanDerWaalsContact OD1-NH2 3.1Å
692S29.6Very low31.1Very low112 Ų112135.3 Ų135.378%0.78376%0.764SS**  -174.6123.5114.243.20000108.5
693R31.5Very low31.1Very low203 Ų203133.6 Ų133.677%0.76677%0.769SS**  55.812064.3-55.2-174.1-160.6-126.80.9110.8D691D691-R693 IonicContact OD1-CZ 3.42Å; D691-R693 IonicContact OD1-NE 2.81Å; D691-R693 PolarHBondContact OD1-NE 2.61Å; D691-R693 IonicContact OD1-NH2 3.1Å; D691-R693 PolarHBondContact OD1-NH2 3.31Å; D691-R693 VanDerWaalsContact OD1-NH2 3.1Å
694L36.4Very low31.3Very low176 Ų176133.7 Ų133.792%0.92177%0.774SS**  -144.617860.6-73.2166.9000114.4
695A29.2Very low31.4Very low87 Ų87128.8 Ų128.872%0.71977%0.773SS**  trans-88.8169.8177.100000112.9
696S28.9Very low31.5Very low119 Ų119134.1 Ų134.183%0.83279%0.788SS**  -174.2166.788.9-670000113.5
697S37.7Very low31.7Very low114 Ų114131 Ų13180%0.79779%0.785SS**  trans-127.7159.6163.2-46.90000109.6
698P46.8Very low31.8Very low131 Ų131131.1 Ų131.185%0.85178%0.781SS**  -149.1-160.6112.738.7-20.6000115.3
699I32.7Very low31.9Very low164 Ų164133.4 Ų133.484%0.84178%0.782SS**  trans-126.2165-159-64.7155.4000111
700L31.3Very low31.9Very low141 Ų141131.1 Ų131.174%0.73878%0.777SS**  trans126.2137.2148.2-166.769.2000112.8K702L700-K702 HydrophobicContact CD1-CD 3.94Å; L700-K702 HydrophobicContact CD1-CG 4.17Å
701G27.6Very low31.2Very low69 Ų69134.5 Ų134.571%0.71178%0.783SS**  cis-169.9-154.1-0.600000108.9
702K34.6Very low31.5Very low178 Ų178137.5 Ų137.577%0.77479%0.794SS**  cis-174.6131-14-124179.5178.7175.60110.1L700L700-K702 HydrophobicContact CD1-CD 3.94Å; L700-K702 HydrophobicContact CD1-CG 4.17Å
703A28.7Very low31.8Very low106 Ų106137.4 Ų137.488%0.87679%0.788SS**  trans61178.5164.400000118.1
704S27.4Very low32Very low104 Ų104135.8 Ų135.873%0.72779%0.793SS**  cis-171.2165.9-48.2-175.20000110.9
705C28Very low32.2Very low119 Ų119134.7 Ų134.780%0.80479%0.788SS**  trans74.3146.4171-53.80000117.1
706R30.9Very low32.1Very low232 Ų232133.6 Ų133.688%0.87579%0.785SS**  cis98.5130.711.4-99.9-161-162.8-12410.2119.1
707I28.6Very low32.3Very low146 Ų146136.1 Ų136.175%0.74979%0.789SS**  trans75.6123.8156.717.8172.2000125.6
708S28.3Very low31.8Very low95 Ų95134.8 Ų134.866%0.66479%0.793SS**  85.4127.5127.8-79.50000127.4
709L30.1Very low31Very low173 Ų173133.2 Ų133.291%0.90679%0.792SS**  75.7155.5129-68.3167.6000124.1
710G28.1Very low32.2Very low66 Ų66130.8 Ų130.868%0.6879%0.786SS**  trans109.1115.4-177.200000112.1
711E32.1Very low31.9Very low181 Ų181130 Ų13085%0.84679%0.791SS**  cis70.2136.442.5-114.5168.116100112.9
712E33.8Very low32Very low172 Ų172131.8 Ų131.880%0.80479%0.793SS**  cis-140.4143.125.4-55.2-177.6173.200113.2
713V36.2Very low31.8Very low109 Ų109132.6 Ų132.666%0.66180%0.796SS**  76.5122.297.6-179.80000118.7
714L35Very low31.8Very low169 Ų169134.2 Ų134.289%0.88579%0.79SS**  -162.8161.7126.6-106.2172.9000112
715L39.8Very low32Very low154 Ų154134.6 Ų134.681%0.80679%0.793SS**  trans-109.9165.3-163.8-66.6143000112.7
716G26.8Very low32Very low64 Ų64132.9 Ų132.966%0.6680%0.795SS**  cis164.5176.9-500000113.7
717N34.1Very low31.8Very low172 Ų172126 Ų12692%0.9280%0.797SS**  trans51.5129.7158.4-59-10.3000123.1
718G27.4Very low31.8Very low85 Ų85122.5 Ų122.588%0.87680%0.796SS**  trans155.2129.7151.500000118.7
719A30.7Very low32.2Very low99 Ų99123.8 Ų123.882%0.81880%0.8SS**  trans-165.7178.3167.100000108.5
720P57Low32.3Very low113 Ų113123 Ų12373%0.73479%0.792SS**  cis-132.6-160.5-7.342.7-23.9000113.9
721C25.7Very low32.5Very low123 Ų123129 Ų12983%0.83180%0.802SS**  trans66.4168.9166.9-66.50000116.5
722S28.5Very low32.6Very low107 Ų107125 Ų12575%0.74880%0.8SS**  cis-157.8136-10.628.20000108
723K31.5Very low32.6Very low195 Ų195126 Ų12685%0.84881%0.805SS**  50.291.195.1-162.9-174.6-179-174.60117.9
724D28.3Very low33.1Very low141 Ų141125.6 Ų125.675%0.75481%0.805SS**  trans-173.1137135.8-101.1-32000108.5
725S30.8Very low33.1Very low111 Ų111126.3 Ų126.378%0.77680%0.803SS**  74.7119.172.2-52.90000113.6
726G28Very low33.6Very low83 Ų83124.9 Ų124.986%0.85680%0.803SS**  cis177.1178.4-4.100000113.6
727G27.8Very low34.2Very low88 Ų88129.6 Ų129.691%0.90781%0.813SS**  trans105.6145.7-178.500000113.3
728G28.9Very low34.5Very low72 Ų72129.8 Ų129.874%0.74281%0.813SS**  cis172.8160.7-4.200000110.9
729T36Very low35Very low122 Ų122133 Ų13375%0.74881%0.809SS**  trans76.6115.9177.8-55.70000117.9
730E32Very low35.1Very low158 Ų158134 Ų13474%0.73881%0.811SS**  trans-2.5157.1147.6-54.895.4-10400120.3
731E32.3Very low34Very low191 Ų191137.7 Ų137.789%0.89382%0.815SS**  cis-152.61695.9-145.1170.2-161.600110.6
732A34.8Very low34.6Very low97 Ų97144.5 Ų144.580%0.80284%0.835SS**  trans-152120.6175.700000114.1
733E33.5Very low34.9Very low194 Ų194146.4 Ų146.491%0.90784%0.839SS**  trans-140.7162.8167.1-93.3-12689.700111.3
734P45.5Very low35.1Very low100 Ų100143.8 Ų143.865%0.64984%0.839SS**  trans-113.1179.5-152.741.6-34000116.8
735H36.6Very low35.5Very low184 Ų184144 Ų14485%0.85284%0.844SS**  trans-23.8131.6173.3-58.2-83000118.6
736P48.7Very low35.7Very low124 Ų124145.9 Ų145.981%0.80585%0.848SS**  trans-90.9127.5162.934.2-29.8000112.5
737D40.5Very low36.2Very low163 Ų163149.9 Ų149.987%0.87285%0.847SS**  trans-98.5124.6154.4-101.6-23.7000107.8
738L40.1Very low36.8Very low175 Ų175154 Ų15492%0.91684%0.843SS**  trans-145138.6161.7-81.4-175.5000111.2
739L37.9Very low37.3Very low153 Ų153159.9 Ų159.980%0.80185%0.85SS**  trans-89.9147.2175.5-65.6164.6000110.7F741L739-F741 HydrophobicContact CD1-CE2 4.43Å
740S32.4Very low37.4Very low121 Ų121162.8 Ų162.885%0.84686%0.858SS**  trans-140.2117.9153.8570000108.8
741F34.8Very low37.9Very low189 Ų189163.2 Ų163.283%0.82987%0.868SS**  trans-84.4155.4167.8-74.2-99.8000109.8L739L739-F741 HydrophobicContact CD1-CE2 4.43Å
742E37.4Very low38.4Very low267 Ų267160.6 Ų160.6100%1.24887%0.866SS**  trans-132.40163-171.2167-153.500108.1

Retrieved 742 of 742 residues in 196 ms (Link to these results)

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