A0A077ZFY5_TRITR Loading...

MYND finger family protein

AlphaFold DB , UniProt , Accession A0A077ZFY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M29.5Very low60.7Low236 Ų236101.5 Ų101.5100%1.16350%0.497SS*.  0117.40-72167.2169.400107.4R3M1-R3 PolarHBondContact O-N 3.17Å; M1-R3 VanDerWaalsContact O-N 3.09Å
2K30.7Very low63.1Low213 Ų21393.2 Ų93.293%0.92646%0.457SS*.  trans-63.3111.3168.4-71179.5177.3179.80105.4N4K2-N4 PolarHBondContact O-N 2.84Å
3R40.3Very low65.1Low187 Ų18791.8 Ų91.871%0.70645%0.449SS*.  trans-53.6133.4173.1-81.2-176-178179.2-0.5106.5M1 P5 E58M1-R3 PolarHBondContact O-N 3.17Å; M1-R3 VanDerWaalsContact O-N 3.09Å; R3-P5 WeakPolarHBondContact O-CD 3.29Å; R3-P5 VanDerWaalsContact O-N 3.12Å; R3-E58 IonicContact NH1-OE2 2.98Å; R3-E58 PolarHBondContact NH1-OE2 3.4Å
4N43.4Very low67.1Low93 Ų9386.1 Ų86.150%0.49742%0.422SS..  trans-55.5120.1172.2-167.37.3000106.6K2 F6 I7K2-N4 PolarHBondContact O-N 2.84Å; N4-F6 PolarHBondContact O-N 3.25Å; N4-F6 WeakPolarHBondContact OD1-CD2 3.33Å; N4-I7 PolarHBondContact O-N 2.94Å
5P50.2Low68.7Low82 Ų8280.4 Ų80.453%0.53239%0.394SS..THydrogen-bonded Turntrans-57.1-10.5-174.119.6-32.6000114R3R3-P5 WeakPolarHBondContact O-CD 3.29Å; R3-P5 VanDerWaalsContact O-N 3.12Å
6F56.9Low69.9Low99 Ų9978.4 Ų78.443%0.43438%0.381SS..THydrogen-bonded Turntrans-89-9.9-176.5-58-71000115.9N4N4-F6 PolarHBondContact O-N 3.25Å; N4-F6 WeakPolarHBondContact OD1-CD2 3.33Å
7I68.1Low71.2Confident85 Ų8576.2 Ų76.244%0.43637%0.37SS..  trans-95103.8178.1-55.8176.6000108.9N4N4-I7 PolarHBondContact O-N 2.94Å
8R82.7Confident72.3Confident12 Ų1271.9 Ų71.95%0.04535%0.349CS..  trans-77.7125.2166.4-63.1-169-178.3169-1.1108.3C62 W92 Y93 A100 G101 L157R8-C62 HydrophobicContact CG-CB 4.46Å; R8-W92 HydrophobicContact CG-CB 4.2Å; R8-W92 HydrophobicContact CG-CG 4.4Å; R8-Y93 PolarHBondContact NH1-OH 3.03Å; R8-Y93 VanDerWaalsContact NH1-OH 3.08Å; R8-A100 HydrophobicContact CB-CB 4.36Å; R8-A100 WeakPolarHBondContact O-CB 3.48Å; R8-G101 PolarHBondContact O-N 3.49Å; R8-L157 PolarHBondContact NH1-O 2.94Å; R8-L157 PolarHBondContact NH2-O 3.46Å
9S86.1Confident73.3Confident58 Ų5868.7 Ų68.741%0.40633%0.333SS..  trans-103.9-15.6168.777.40000112.5P11 E58S9-P11 WeakPolarHBondContact O-CD 3.36Å; S9-E58 VanDerWaalsContact CA-OE1 3.31Å; S9-E58 WeakPolarHBondContact CA-OE1 3.34Å; S9-E58 VanDerWaalsContact CB-OE1 3.32Å; S9-E58 WeakPolarHBondContact CB-OE1 3.27Å; S9-E58 PolarHBondContact N-OE1 3.21Å; S9-E58 PolarHBondContact OG-OE1 3.04Å; S9-E58 PolarHBondContact OG-OE2 2.97Å
10I88.9Confident74.1Confident4 Ų468.1 Ų68.12%0.02134%0.339CS..SBendtrans-71.7126.7175.2-61.8159.2000111.6V14 V15 Y55 E58 C59 A100I10-V14 HydrophobicContact CG2-CB 3.55Å; I10-V14 HydrophobicContact CG2-CG1 3.53Å; I10-V15 HydrophobicContact CB-CG2 4.4Å; I10-V15 HydrophobicContact CG2-CG2 3.73Å; I10-Y55 HydrophobicContact CG1-CD1 4.42Å; I10-E58 HydrophobicContact CD1-CB 3.55Å; I10-E58 HydrophobicContact CD1-CG 3.56Å; I10-E58 HydrophobicContact CG1-CB 4.16Å; I10-E58 HydrophobicContact CG1-CG 3.96Å; I10-E58 WeakPolarHBondContact CG1-OE1 3.33Å; I10-E58 PolarHBondContact N-OE1 2.99Å; I10-E58 VanDerWaalsContact N-OE1 3.11Å; I10-C59 HydrophobicContact CD1-CB 4.33Å; I10-C59 VanDerWaalsContact CD1-SG 3.52Å; I10-A100 WeakPolarHBondContact O-CB 3.39Å
11P90.8Very high74.9Confident47 Ų4765.1 Ų65.131%0.30533%0.325SS..  trans-59.7145.1172-23.634000112.9S9 E13 V14 V15S9-P11 WeakPolarHBondContact O-CD 3.36Å; P11-E13 PolarHBondContact O-N 3.41Å; P11-E13 VanDerWaalsContact O-N 3.09Å; P11-V14 HydrophobicContact CB-CG2 4.31Å; P11-V14 HydrophobicContact CG-CG2 4.26Å; P11-V14 PolarHBondContact O-N 3.13Å; P11-V15 PolarHBondContact O-N 3.24Å
12P89.4Confident77.8Confident2 Ų254 Ų541%0.01327%0.27CS..Hα-helixtrans-53.4-34.7177.2-1619.4000113.6V14 V15 R16 Y93 H98 V196P12-V14 PolarHBondContact O-N 3.14Å; P12-V15 WeakPolarHBondContact O-CB 3.31Å; P12-V15 PolarHBondContact O-N 2.86Å; P12-R16 WeakPolarHBondContact O-CG 3.45Å; P12-R16 PolarHBondContact O-N 3.12Å; P12-Y93 HydrophobicContact CB-CE1 4.23Å; P12-Y93 HydrophobicContact CG-CD1 3.61Å; P12-Y93 HydrophobicContact CG-CE1 3.48Å; P12-Y93 VanDerWaalsContact CG-CE1 3.48Å; P12-Y93 HydrophobicContact CG-CE2 4.48Å; P12-Y93 HydrophobicContact CG-CG 4.17Å; P12-H98 WeakPolarHBondContact CG-O 3.23Å; P12-V196 HydrophobicContact CB-CG1 4.22Å; P12-V196 WeakPolarHBondContact CB-O 3.37Å; P12-V196 HydrophobicContact CG-CG1 4.34Å
13E89.4Confident80.5Confident75 Ų7547.9 Ų47.935%0.3524%0.243SC..Hα-helixtrans-58.2-47.6176.3-179.961.2-138.300112.1P11 V15 R16 Q17P11-E13 PolarHBondContact O-N 3.41Å; P11-E13 VanDerWaalsContact O-N 3.09Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 3.02Å; E13-R16 VanDerWaalsContact CD-NH1 3.34Å; E13-R16 PolarHBondContact O-N 3.24Å; E13-R16 IonicContact OE1-NH1 3.67Å; E13-R16 PolarHBondContact OE1-NH1 3.32Å; E13-R16 IonicContact OE2-CZ 2.69Å; E13-R16 IonicContact OE2-NH1 2.83Å; E13-R16 PolarHBondContact OE2-NH1 3.31Å; E13-R16 IonicContact OE2-NH2 3.53Å; E13-R16 PolarHBondContact OE2-NH2 2.89Å; E13-Q17 HydrophobicContact CG-CG 4.41Å; E13-Q17 WeakPolarHBondContact O-CB 3.44Å; E13-Q17 VanDerWaalsContact O-CG 3.29Å; E13-Q17 WeakPolarHBondContact O-CG 3.42Å; E13-Q17 PolarHBondContact O-N 3.06Å; E13-Q17 VanDerWaalsContact OE1-CD 3.31Å; E13-Q17 WeakPolarHBondContact OE1-CG 3.02Å; E13-Q17 PolarHBondContact OE1-NE2 3Å
14V92.3Very high82.7Confident13 Ų1342.8 Ų42.88%0.07923%0.231CC..Hα-helixtrans-63.6-38.8179.8173.70000110.5I10 P11 P12 Q17 L18 W47 Y55I10-V14 HydrophobicContact CG2-CB 3.55Å; I10-V14 HydrophobicContact CG2-CG1 3.53Å; P11-V14 HydrophobicContact CB-CG2 4.31Å; P11-V14 HydrophobicContact CG-CG2 4.26Å; P11-V14 PolarHBondContact O-N 3.13Å; P12-V14 PolarHBondContact O-N 3.14Å; V14-Q17 PolarHBondContact O-N 3.47Å; V14-L18 HydrophobicContact CG1-CD1 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.22Å; V14-W47 HydrophobicContact CB-CH2 4.45Å; V14-W47 HydrophobicContact CB-CZ2 4.44Å; V14-W47 HydrophobicContact CG1-CH2 3.7Å; V14-W47 HydrophobicContact CG1-CZ2 4.01Å; V14-W47 HydrophobicContact CG2-CZ2 4.27Å; V14-Y55 HydrophobicContact CG1-CD1 3.96Å; V14-Y55 HydrophobicContact CG1-CD2 3.64Å; V14-Y55 HydrophobicContact CG1-CE1 4.31Å; V14-Y55 HydrophobicContact CG1-CE2 4Å; V14-Y55 HydrophobicContact CG1-CG 3.63Å
15V91.7Very high84.8Confident0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-61-46.4174.7-1760000110.9I10 P11 P12 E13 L18 W19 L64 L158I10-V15 HydrophobicContact CB-CG2 4.4Å; I10-V15 HydrophobicContact CG2-CG2 3.73Å; P11-V15 PolarHBondContact O-N 3.24Å; P12-V15 WeakPolarHBondContact O-CB 3.31Å; P12-V15 PolarHBondContact O-N 2.86Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 3.02Å; V15-L18 PolarHBondContact O-N 2.9Å; V15-W19 HydrophobicContact CG1-CD2 4.15Å; V15-W19 HydrophobicContact CG1-CH2 4.31Å; V15-W19 HydrophobicContact CG1-CZ2 3.9Å; V15-W19 PolarHBondContact O-N 3.17Å; V15-L64 HydrophobicContact CG1-CB 4.35Å; V15-L64 HydrophobicContact CG1-CD1 3.95Å; V15-L64 HydrophobicContact CG1-CD2 4.19Å; V15-L64 HydrophobicContact CG1-CG 4.41Å; V15-L64 HydrophobicContact CG2-CD1 3.69Å; V15-L158 HydrophobicContact CB-CD2 4.3Å; V15-L158 HydrophobicContact CG1-CD2 3.96Å
16R88Confident86.4Confident49 Ų4939.7 Ų39.719%0.18521%0.206CC..Hα-helixtrans-64.1-41.9178.3-71.5-171.9-77.193-3.3112.2P12 E13 W19 A20 L158 V196 V197 G199P12-R16 WeakPolarHBondContact O-CG 3.45Å; P12-R16 PolarHBondContact O-N 3.12Å; E13-R16 VanDerWaalsContact CD-NH1 3.34Å; E13-R16 PolarHBondContact O-N 3.24Å; E13-R16 IonicContact OE1-NH1 3.67Å; E13-R16 PolarHBondContact OE1-NH1 3.32Å; E13-R16 IonicContact OE2-CZ 2.69Å; E13-R16 IonicContact OE2-NH1 2.83Å; E13-R16 PolarHBondContact OE2-NH1 3.31Å; E13-R16 IonicContact OE2-NH2 3.53Å; E13-R16 PolarHBondContact OE2-NH2 2.89Å; R16-W19 PolarHBondContact O-N 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.13Å; R16-A20 PolarHBondContact O-N 3.16Å; R16-L158 HydrophobicContact CG-CD1 4.23Å; R16-V196 PolarHBondContact NE-O 3Å; R16-V197 WeakPolarHBondContact CD-O 3.29Å; R16-V197 PolarHBondContact NE-O 3.46Å; R16-G199 VanDerWaalsContact NH2-CA 3.3Å
17Q91.4Very high87.6Confident40 Ų4041.6 Ų41.619%0.18722%0.22CC..Hα-helixtrans-62.7-45176.1-74.2175.6-7.600111.2E13 V14 A20 L21 F45 W47E13-Q17 HydrophobicContact CG-CG 4.41Å; E13-Q17 WeakPolarHBondContact O-CB 3.44Å; E13-Q17 VanDerWaalsContact O-CG 3.29Å; E13-Q17 WeakPolarHBondContact O-CG 3.42Å; E13-Q17 PolarHBondContact O-N 3.06Å; E13-Q17 VanDerWaalsContact OE1-CD 3.31Å; E13-Q17 WeakPolarHBondContact OE1-CG 3.02Å; E13-Q17 PolarHBondContact OE1-NE2 3Å; V14-Q17 PolarHBondContact O-N 3.47Å; Q17-A20 WeakPolarHBondContact O-CB 3.35Å; Q17-A20 PolarHBondContact O-N 3.27Å; Q17-L21 WeakPolarHBondContact O-CG 3.29Å; Q17-L21 PolarHBondContact O-N 2.63Å; Q17-F45 HydrophobicContact CB-CD2 4.39Å; Q17-F45 HydrophobicContact CB-CE1 4.32Å; Q17-F45 HydrophobicContact CB-CE2 3.72Å; Q17-F45 HydrophobicContact CB-CZ 3.7Å; Q17-F45 HydrophobicContact CG-CE1 3.9Å; Q17-F45 HydrophobicContact CG-CE2 4.22Å; Q17-F45 HydrophobicContact CG-CZ 3.75Å; Q17-W47 HydrophobicContact CB-CH2 4.01Å; Q17-W47 HydrophobicContact CB-CZ2 4.2Å
18L92.1Very high88.2Confident0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-60.8-45.5173.8-82.8175.4000112.3V14 V15 A20 L21 V22 I37 W47 V56 C59V14-L18 HydrophobicContact CG1-CD1 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.22Å; V15-L18 PolarHBondContact O-N 2.9Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.31Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 WeakPolarHBondContact O-CB 3.34Å; L18-L21 PolarHBondContact O-N 3.32Å; L18-V22 VanDerWaalsContact O-CG2 3.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.04Å; L18-V22 PolarHBondContact O-N 3.44Å; L18-I37 HydrophobicContact CD2-CG2 3.96Å; L18-W47 HydrophobicContact CD2-CH2 4.44Å; L18-W47 HydrophobicContact CD2-CZ3 3.81Å; L18-W47 HydrophobicContact CG-CH2 4.09Å; L18-W47 HydrophobicContact CG-CZ3 3.94Å; L18-V56 HydrophobicContact CD2-CG2 3.9Å; L18-C59 HydrophobicContact CD1-CB 4.41Å; L18-C59 WeakPolarHBondContact CD1-SG 3.41Å
19W91.6Very high87.9Confident10 Ų1044.8 Ų44.84%0.03825%0.251CS..Hα-helixtrans-61.1-38175.7-75-7.5000112.8V15 R16 K23 L64 I80 Q154 L157 L158V15-W19 HydrophobicContact CG1-CD2 4.15Å; V15-W19 HydrophobicContact CG1-CH2 4.31Å; V15-W19 HydrophobicContact CG1-CZ2 3.9Å; V15-W19 PolarHBondContact O-N 3.17Å; R16-W19 PolarHBondContact O-N 3.24Å; W19-K23 WeakPolarHBondContact O-CB 3.31Å; W19-K23 VanDerWaalsContact O-CG 3.3Å; W19-K23 WeakPolarHBondContact O-CG 3.23Å; W19-K23 PolarHBondContact O-N 3.19Å; W19-L64 HydrophobicContact CZ2-CD2 4.12Å; W19-L64 PolarHBondContact NE1-O 3.33Å; W19-I80 HydrophobicContact CB-CD1 3.73Å; W19-I80 HydrophobicContact CG-CD1 3.78Å; W19-I80 HydrophobicContact CG-CG1 4.22Å; W19-Q154 HydrophobicContact CE3-CB 4.13Å; W19-Q154 HydrophobicContact CE3-CG 4.13Å; W19-Q154 VanDerWaalsContact CE3-NE2 3.34Å; W19-Q154 HydrophobicContact CH2-CB 3.93Å; W19-Q154 HydrophobicContact CH2-CG 4.3Å; W19-Q154 WeakPolarHBondContact CH2-O 3.43Å; W19-Q154 HydrophobicContact CZ3-CB 3.51Å; W19-Q154 HydrophobicContact CZ3-CG 3.94Å; W19-L157 HydrophobicContact CH2-CB 3.76Å; W19-L157 HydrophobicContact CH2-CD1 4.07Å; W19-L157 HydrophobicContact CZ2-CB 3.96Å; W19-L157 HydrophobicContact CZ2-CD1 3.67Å; W19-L157 HydrophobicContact CZ2-CG 4.49Å; W19-L158 HydrophobicContact CH2-CD1 4.16Å; W19-L158 HydrophobicContact CH2-CD2 4.21Å; W19-L158 HydrophobicContact CH2-CG 3.76Å; W19-L158 HydrophobicContact CZ3-CD1 3.75Å; W19-L158 HydrophobicContact CZ3-CG 3.91Å
20A88.4Confident87.5Confident56 Ų5644 Ų4446%0.46325%0.252SS..Hα-helixtrans-64.2-42.6175.100000111.6R16 Q17 L18 N24R16-A20 WeakPolarHBondContact O-CB 3.13Å; R16-A20 PolarHBondContact O-N 3.16Å; Q17-A20 WeakPolarHBondContact O-CB 3.35Å; Q17-A20 PolarHBondContact O-N 3.27Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.31Å; A20-N24 WeakPolarHBondContact O-CB 3.41Å; A20-N24 PolarHBondContact O-N 2.82Å
21L90.2Very high87.3Confident6 Ų646.2 Ų46.23%0.03127%0.266CS..Hα-helixtrans-61.9-50.9174.8-68.8173.4000111.7Q17 L18 K23 N24 I25 I37 K40 A41 F45 W47Q17-L21 WeakPolarHBondContact O-CG 3.29Å; Q17-L21 PolarHBondContact O-N 2.63Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 WeakPolarHBondContact O-CB 3.34Å; L18-L21 PolarHBondContact O-N 3.32Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 2.92Å; L21-N24 VanDerWaalsContact O-N 3.13Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.26Å; L21-I37 HydrophobicContact CD1-CG2 4.42Å; L21-K40 HydrophobicContact CD2-CB 3.98Å; L21-K40 HydrophobicContact CD2-CG 3.46Å; L21-K40 VanDerWaalsContact CD2-CG 3.46Å; L21-A41 HydrophobicContact CD1-CB 3.73Å; L21-F45 HydrophobicContact CD1-CD2 4.01Å; L21-F45 HydrophobicContact CD1-CE2 3.64Å; L21-F45 HydrophobicContact CD2-CE2 3.86Å; L21-F45 HydrophobicContact CG-CD2 4.47Å; L21-F45 HydrophobicContact CG-CE2 3.67Å; L21-W47 HydrophobicContact CD1-CZ3 4.5Å
22V90.4Very high87.3Confident4 Ų444.1 Ų44.12%0.02425%0.252CS..Hα-helixtrans-59-45.2-179.1171.60000110.6L18 N24 H26 V32 I37 L65 I80L18-V22 VanDerWaalsContact O-CG2 3.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.04Å; L18-V22 PolarHBondContact O-N 3.44Å; V22-N24 PolarHBondContact O-N 3.13Å; V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 3.38Å; V22-V32 HydrophobicContact CG1-CG1 4.46Å; V22-V32 HydrophobicContact CG1-CG2 4.22Å; V22-V32 HydrophobicContact CG2-CG1 4.29Å; V22-V32 WeakPolarHBondContact O-CG2 3.37Å; V22-I37 HydrophobicContact CG2-CD1 4.19Å; V22-L65 HydrophobicContact CG2-CD2 4.11Å; V22-I80 HydrophobicContact CB-CG1 4.46Å; V22-I80 HydrophobicContact CG1-CG1 4.01Å
23K87.9Confident87.5Confident83 Ų8344.8 Ų44.836%0.36126%0.256SS..Hα-helixtrans-61-44.1175.2-75.3174.9-177179.80112.4W19 L21 H26 N27 I80 Q154W19-K23 WeakPolarHBondContact O-CB 3.31Å; W19-K23 VanDerWaalsContact O-CG 3.3Å; W19-K23 WeakPolarHBondContact O-CG 3.23Å; W19-K23 PolarHBondContact O-N 3.19Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.47Å; K23-H26 PolarHBondContact O-N 3.31Å; K23-N27 WeakPolarHBondContact O-CB 3.23Å; K23-N27 PolarHBondContact O-N 3.45Å; K23-N27 PolarHBondContact O-ND2 2.82Å; K23-N27 PolarHBondContact O-OD1 3.17Å; K23-I80 HydrophobicContact CD-CD1 4.12Å; K23-I80 HydrophobicContact CG-CD1 3.69Å; K23-Q154 VanDerWaalsContact CE-NE2 3.26Å; K23-Q154 VanDerWaalsContact NZ-CD 3.34Å; K23-Q154 VanDerWaalsContact NZ-NE2 3.18Å
24N86.1Confident87.6Confident81 Ų8143.1 Ų43.143%0.43325%0.25SC..Hα-helixtrans-63.6-48.3-179.1-168.7-55.2000111.2A20 L21 V22 N27 S28A20-N24 WeakPolarHBondContact O-CB 3.41Å; A20-N24 PolarHBondContact O-N 2.82Å; L21-N24 PolarHBondContact O-N 2.92Å; L21-N24 VanDerWaalsContact O-N 3.13Å; V22-N24 PolarHBondContact O-N 3.13Å; N24-N27 PolarHBondContact O-N 3.48Å; N24-S28 PolarHBondContact O-N 3.35Å; N24-S28 VanDerWaalsContact O-N 3.14Å; N24-S28 PolarHBondContact O-OG 3.28Å
25I87.5Confident87.6Confident7 Ų747.5 Ų47.54%0.03627%0.269CS..Hα-helixtrans-66-40.9179.2-61.2161.9000110.8L21 N27 S28 C29 V32 D36 I37 K40L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.26Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 2.87Å; I25-S28 WeakPolarHBondContact CA-OG 3.43Å; I25-S28 PolarHBondContact O-N 3.19Å; I25-S28 PolarHBondContact O-OG 2.94Å; I25-C29 HydrophobicContact CG2-CB 4.49Å; I25-C29 WeakPolarHBondContact O-CB 3.33Å; I25-C29 PolarHBondContact O-N 3.03Å; I25-V32 HydrophobicContact CB-CG1 4.13Å; I25-V32 HydrophobicContact CB-CG2 4.01Å; I25-V32 HydrophobicContact CD1-CG1 4.11Å; I25-V32 HydrophobicContact CG2-CB 4.18Å; I25-V32 HydrophobicContact CG2-CG1 3.97Å; I25-V32 HydrophobicContact CG2-CG2 3.89Å; I25-D36 HydrophobicContact CD1-CB 4.06Å; I25-D36 WeakPolarHBondContact CD1-O 3.42Å; I25-D36 HydrophobicContact CG2-CB 3.7Å; I25-I37 HydrophobicContact CD1-CG1 4.06Å; I25-K40 HydrophobicContact CD1-CB 4.1Å; I25-K40 HydrophobicContact CG1-CB 4.46Å
26H85.2Confident87.6Confident103 Ų10350.1 Ų50.148%0.47728%0.283SS..Hα-helixtrans-61-42.2177.1-174.770.6000111.2V22 K23 S28 G30 V32V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 3.38Å; K23-H26 PolarHBondContact O-N 3.31Å; H26-S28 VanDerWaalsContact C-N 3.32Å; H26-S28 PolarHBondContact O-N 3.41Å; H26-G30 PolarHBondContact CE1-O 3.01Å; H26-G30 PolarHBondContact ND1-O 2.81Å; H26-G30 VanDerWaalsContact O-CA 3.25Å; H26-G30 WeakPolarHBondContact O-CA 3.28Å; H26-G30 PolarHBondContact O-N 3.4Å; H26-V32 HydrophobicContact CB-CG2 3.74Å
27N80.6Confident87.9Confident138 Ų13847.8 Ų47.874%0.73827%0.274SS*.Hα-helixtrans-67-30.1177.4-69.9-11.8000113.3K23 N24 I25K23-N27 WeakPolarHBondContact O-CB 3.23Å; K23-N27 PolarHBondContact O-N 3.45Å; K23-N27 PolarHBondContact O-ND2 2.82Å; K23-N27 PolarHBondContact O-OD1 3.17Å; N24-N27 PolarHBondContact O-N 3.48Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 2.87Å
28S80.6Confident88Confident82 Ų8246.2 Ų46.257%0.57327%0.268SS*.Hα-helixtrans-87.3-37.1178.959.20000114N24 I25 H26N24-S28 PolarHBondContact O-N 3.35Å; N24-S28 VanDerWaalsContact O-N 3.14Å; N24-S28 PolarHBondContact O-OG 3.28Å; I25-S28 WeakPolarHBondContact CA-OG 3.43Å; I25-S28 PolarHBondContact O-N 3.19Å; I25-S28 PolarHBondContact O-OG 2.94Å; H26-S28 VanDerWaalsContact C-N 3.32Å; H26-S28 PolarHBondContact O-N 3.41Å
29C77Confident88Confident83 Ų8347.6 Ų47.656%0.56128%0.282SS*.Hα-helixtrans-124.9-7.7-165.6-60.20000114.2I25 V31I25-C29 HydrophobicContact CG2-CB 4.49Å; I25-C29 WeakPolarHBondContact O-CB 3.33Å; I25-C29 PolarHBondContact O-N 3.03Å; C29-V31 PolarHBondContact O-N 3.37Å
30G78.2Confident88Confident41 Ų4151 Ų5142%0.42330%0.297SS..SBendtrans72.8-40.2-17800000115.1H26H26-G30 PolarHBondContact CE1-O 3.01Å; H26-G30 PolarHBondContact ND1-O 2.81Å; H26-G30 VanDerWaalsContact O-CA 3.25Å; H26-G30 WeakPolarHBondContact O-CA 3.28Å; H26-G30 PolarHBondContact O-N 3.4Å
31V85.2Confident88.3Confident50 Ų5048.3 Ų48.330%0.30328%0.275SS..SBendtrans-116.3131177.8-176.40000109.5C29 T33 C77C29-V31 PolarHBondContact O-N 3.37Å; V31-T33 HydrophobicContact CG1-CG2 4.38Å; V31-C77 HydrophobicContact CG1-CB 3.69Å
32V90.8Very high88.5Confident3 Ų354 Ų542%0.01830%0.301CS..  trans-106.3108.2-179.2-174.30000109.1V22 I25 H26 I37 C77 Y78V22-V32 HydrophobicContact CG1-CG1 4.46Å; V22-V32 HydrophobicContact CG1-CG2 4.22Å; V22-V32 HydrophobicContact CG2-CG1 4.29Å; V22-V32 WeakPolarHBondContact O-CG2 3.37Å; I25-V32 HydrophobicContact CB-CG1 4.13Å; I25-V32 HydrophobicContact CB-CG2 4.01Å; I25-V32 HydrophobicContact CD1-CG1 4.11Å; I25-V32 HydrophobicContact CG2-CB 4.18Å; I25-V32 HydrophobicContact CG2-CG1 3.97Å; I25-V32 HydrophobicContact CG2-CG2 3.89Å; H26-V32 HydrophobicContact CB-CG2 3.74Å; V32-I37 HydrophobicContact CG1-CD1 3.81Å; V32-I37 HydrophobicContact CG1-CG1 3.58Å; V32-C77 CarbonylContact O-C 3.53Å; V32-C77 WeakPolarHBondContact O-CA 3.48Å; V32-Y78 WeakPolarHBondContact CB-O 3.4Å; V32-Y78 PolarHBondContact O-N 2.93Å
33T92Very high88.5Confident16 Ų1662.5 Ų62.510%0.09834%0.338CS..BIsolated β-bridgetrans-96.8167.2175.870.90000111.6V31 E35 D36 I37 K73V31-T33 HydrophobicContact CG1-CG2 4.38Å; T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 3.25Å; T33-D36 WeakPolarHBondContact CB-OD2 3.19Å; T33-D36 PolarHBondContact N-OD2 2.74Å; T33-D36 PolarHBondContact O-N 3.18Å; T33-D36 PolarHBondContact OG1-N 2.89Å; T33-D36 PolarHBondContact OG1-OD2 2.86Å; T33-I37 WeakPolarHBondContact O-CG1 3.32Å; T33-I37 PolarHBondContact O-N 3.05Å; T33-I37 VanDerWaalsContact O-N 3.16Å; T33-K73 HydrophobicContact CG2-CD 4.27Å
34L92.6Very high88.7Confident41 Ų4162 Ų6222%0.21534%0.342CS..Hα-helixtrans-57.9-41.4175.2-174.658.4000112D36 I37 V38 E53 V56 Y78L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 3.44Å; L34-I37 PolarHBondContact O-N 3.13Å; L34-V38 HydrophobicContact CD1-CG2 4.35Å; L34-V38 HydrophobicContact CG-CG2 4.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.48Å; L34-V38 PolarHBondContact O-N 2.84Å; L34-E53 HydrophobicContact CD1-CG 4.22Å; L34-E53 HydrophobicContact CD2-CG 4.05Å; L34-E53 HydrophobicContact CG-CG 4.35Å; L34-V56 HydrophobicContact CD1-CB 4.14Å; L34-V56 HydrophobicContact CD1-CG1 4.04Å; L34-V56 HydrophobicContact CD1-CG2 4.21Å; L34-Y78 HydrophobicContact CB-CE2 3.98Å; L34-Y78 HydrophobicContact CD1-CE2 4.48Å
35E91.7Very high89Confident105 Ų10561.5 Ų61.549%0.49134%0.336SS..Hα-helixtrans-63.2-38.7179.2-62.7-55140.900112.1T33 I37 V38 G39 R49T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 3.25Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.29Å; E35-V38 PolarHBondContact O-N 3.4Å; E35-G39 PolarHBondContact O-N 3.36Å; E35-R49 IonicContact OE1-CZ 3.86Å; E35-R49 IonicContact OE1-NH1 3.98Å; E35-R49 IonicContact OE1-NH2 3.59Å; E35-R49 PolarHBondContact OE1-NH2 2.87Å; E35-R49 IonicContact OE2-CZ 2.72Å; E35-R49 IonicContact OE2-NH1 3.49Å; E35-R49 PolarHBondContact OE2-NH1 2.73Å; E35-R49 IonicContact OE2-NH2 3.25Å; E35-R49 PolarHBondContact OE2-NH2 3.03Å
36D92Very high89.1Confident54 Ų5464.1 Ų64.129%0.28936%0.364SS..Hα-helixtrans-64.5-41.3176.7-56.3-53000111I25 T33 L34 K40I25-D36 HydrophobicContact CD1-CB 4.06Å; I25-D36 WeakPolarHBondContact CD1-O 3.42Å; I25-D36 HydrophobicContact CG2-CB 3.7Å; T33-D36 WeakPolarHBondContact CB-OD2 3.19Å; T33-D36 PolarHBondContact N-OD2 2.74Å; T33-D36 PolarHBondContact O-N 3.18Å; T33-D36 PolarHBondContact OG1-N 2.89Å; T33-D36 PolarHBondContact OG1-OD2 2.86Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 3.44Å; D36-K40 VanDerWaalsContact O-CB 3.3Å; D36-K40 WeakPolarHBondContact O-CB 3.47Å; D36-K40 PolarHBondContact O-N 3.46Å; D36-K40 VanDerWaalsContact O-N 3.07Å
37I93.7Very high89.6Confident0 Ų060.6 Ų60.60%035%0.347CS..Hα-helixtrans-65.8-49.5178.2-61.7169.1000110L18 L21 V22 I25 V32 T33 L34 E35 G39 K40 A41 T52 V56 Y78L18-I37 HydrophobicContact CD2-CG2 3.96Å; L21-I37 HydrophobicContact CD1-CG2 4.42Å; V22-I37 HydrophobicContact CG2-CD1 4.19Å; I25-I37 HydrophobicContact CD1-CG1 4.06Å; V32-I37 HydrophobicContact CG1-CD1 3.81Å; V32-I37 HydrophobicContact CG1-CG1 3.58Å; T33-I37 WeakPolarHBondContact O-CG1 3.32Å; T33-I37 PolarHBondContact O-N 3.05Å; T33-I37 VanDerWaalsContact O-N 3.16Å; L34-I37 PolarHBondContact O-N 3.13Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.29Å; I37-G39 PolarHBondContact O-N 3.32Å; I37-K40 PolarHBondContact O-N 2.89Å; I37-A41 WeakPolarHBondContact O-CB 3.39Å; I37-A41 PolarHBondContact O-N 3.45Å; I37-T52 HydrophobicContact CG2-CG2 3.79Å; I37-V56 HydrophobicContact CD1-CG2 4.07Å; I37-V56 HydrophobicContact CG2-CG2 3.88Å; I37-Y78 HydrophobicContact CD1-CD2 3.92Å; I37-Y78 HydrophobicContact CD1-CG 4.16Å
38V94.8Very high90.3Very high8 Ų857.1 Ų57.15%0.04833%0.331CS..Hα-helixtrans-56.5-52.8178.21710000110.5L34 E35 K40 A41 E42 R49 T52 E53L34-V38 HydrophobicContact CD1-CG2 4.35Å; L34-V38 HydrophobicContact CG-CG2 4.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.48Å; L34-V38 PolarHBondContact O-N 2.84Å; E35-V38 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact C-N 3.26Å; V38-K40 PolarHBondContact O-N 3.39Å; V38-A41 PolarHBondContact O-N 2.92Å; V38-E42 WeakPolarHBondContact O-CB 3.17Å; V38-E42 PolarHBondContact O-N 3.43Å; V38-R49 HydrophobicContact CG1-CB 4.14Å; V38-R49 HydrophobicContact CG1-CG 3.92Å; V38-R49 HydrophobicContact CG2-CG 4.36Å; V38-T52 HydrophobicContact CG2-CG2 3.89Å; V38-E53 HydrophobicContact CG2-CG 4.32Å
39G92.4Very high91Very high29 Ų2958 Ų5830%0.29932%0.321SS..Hα-helixtrans-64-28.9-177.900000113.9E35 I37 K43E35-G39 PolarHBondContact O-N 3.36Å; I37-G39 PolarHBondContact O-N 3.32Å; G39-K43 WeakPolarHBondContact O-CD 3.29Å; G39-K43 VanDerWaalsContact O-CG 3.32Å; G39-K43 WeakPolarHBondContact O-CG 3.34Å
40K91.8Very high91.8Very high81 Ų8160.5 Ų60.535%0.35233%0.325SS..Hα-helixtrans-84.6-37.3175.7-164.474.5177.3-170.60112.2L21 I25 D36 I37 V38 K43 T44L21-K40 HydrophobicContact CD2-CB 3.98Å; L21-K40 HydrophobicContact CD2-CG 3.46Å; L21-K40 VanDerWaalsContact CD2-CG 3.46Å; I25-K40 HydrophobicContact CD1-CB 4.1Å; I25-K40 HydrophobicContact CG1-CB 4.46Å; D36-K40 VanDerWaalsContact O-CB 3.3Å; D36-K40 WeakPolarHBondContact O-CB 3.47Å; D36-K40 PolarHBondContact O-N 3.46Å; D36-K40 VanDerWaalsContact O-N 3.07Å; I37-K40 PolarHBondContact O-N 2.89Å; V38-K40 VanDerWaalsContact C-N 3.26Å; V38-K40 PolarHBondContact O-N 3.39Å; K40-K43 PolarHBondContact O-N 3.27Å; K40-T44 VanDerWaalsContact O-CB 3.25Å; K40-T44 WeakPolarHBondContact O-CB 3.45Å; K40-T44 PolarHBondContact O-N 2.89Å; K40-T44 PolarHBondContact O-OG1 2.92Å
41A94.1Very high92.6Very high0 Ų061.9 Ų61.90%032%0.323CS..Hα-helixtrans-65.9-45.217900000111.7L21 I37 V38 K43 T44 F45 G46 W47 T52L21-A41 HydrophobicContact CD1-CB 3.73Å; I37-A41 WeakPolarHBondContact O-CB 3.39Å; I37-A41 PolarHBondContact O-N 3.45Å; V38-A41 PolarHBondContact O-N 2.92Å; A41-K43 VanDerWaalsContact C-N 3.31Å; A41-K43 PolarHBondContact O-N 2.97Å; A41-T44 PolarHBondContact O-N 3.19Å; A41-F45 PolarHBondContact O-N 3.44Å; A41-G46 PolarHBondContact O-N 3.24Å; A41-W47 HydrophobicContact CB-CB 4.43Å; A41-W47 HydrophobicContact CB-CD2 4.39Å; A41-W47 HydrophobicContact CB-CE3 3.75Å; A41-W47 HydrophobicContact CB-CZ3 4.42Å; A41-T52 HydrophobicContact CB-CG2 3.93Å
42E93.5Very high93.1Very high126 Ų12659.5 Ų59.559%0.58931%0.308SS*.Hα-helixtrans-57.4-45.5175.8-173.7-179.3-174.400110.9V38 G46V38-E42 WeakPolarHBondContact O-CB 3.17Å; V38-E42 PolarHBondContact O-N 3.43Å; E42-G46 VanDerWaalsContact O-CA 3.22Å; E42-G46 WeakPolarHBondContact O-CA 3.41Å; E42-G46 PolarHBondContact O-N 3.17Å
43K91.8Very high93.3Very high181 Ų18162.7 Ų62.779%0.78732%0.323SS*.Hα-helixtrans-70.6-32.7179.3-69.3176.6-174.5174.60114.3G39 K40 A41G39-K43 WeakPolarHBondContact O-CD 3.29Å; G39-K43 VanDerWaalsContact O-CG 3.32Å; G39-K43 WeakPolarHBondContact O-CG 3.34Å; K40-K43 PolarHBondContact O-N 3.27Å; A41-K43 VanDerWaalsContact C-N 3.31Å; A41-K43 PolarHBondContact O-N 2.97Å
44T91.3Very high93.4Very high74 Ų7464.4 Ų64.445%0.45434%0.339SS..Hα-helixtrans-94.4-39.4-170.7-49.30000112.1K40 A41K40-T44 VanDerWaalsContact O-CB 3.25Å; K40-T44 WeakPolarHBondContact O-CB 3.45Å; K40-T44 PolarHBondContact O-N 2.89Å; K40-T44 PolarHBondContact O-OG1 2.92Å; A41-T44 PolarHBondContact O-N 3.19Å
45F91.4Very high93.5Very high70 Ų7065.4 Ų65.431%0.30734%0.34SS..Hα-helixtrans-122.8-7.1-172.7-53.1-57.5000113.5Q17 L21 A41 W47Q17-F45 HydrophobicContact CB-CD2 4.39Å; Q17-F45 HydrophobicContact CB-CE1 4.32Å; Q17-F45 HydrophobicContact CB-CE2 3.72Å; Q17-F45 HydrophobicContact CB-CZ 3.7Å; Q17-F45 HydrophobicContact CG-CE1 3.9Å; Q17-F45 HydrophobicContact CG-CE2 4.22Å; Q17-F45 HydrophobicContact CG-CZ 3.75Å; L21-F45 HydrophobicContact CD1-CD2 4.01Å; L21-F45 HydrophobicContact CD1-CE2 3.64Å; L21-F45 HydrophobicContact CD2-CE2 3.86Å; L21-F45 HydrophobicContact CG-CD2 4.47Å; L21-F45 HydrophobicContact CG-CE2 3.67Å; A41-F45 PolarHBondContact O-N 3.44Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 HydrophobicContact CB-CD2 4.17Å; F45-W47 HydrophobicContact CB-CG 4.08Å; F45-W47 HydrophobicContact CD2-CD2 4.43Å; F45-W47 HydrophobicContact CD2-CH2 4.39Å; F45-W47 HydrophobicContact CD2-CZ2 4.26Å; F45-W47 PolarHBondContact O-N 2.98Å
46G91.2Very high93.6Very high61 Ų6160.4 Ų60.463%0.62932%0.317SS*.  trans70.922.4-178.200000113.8A41 E42A41-G46 PolarHBondContact O-N 3.24Å; E42-G46 VanDerWaalsContact O-CA 3.22Å; E42-G46 WeakPolarHBondContact O-CA 3.41Å; E42-G46 PolarHBondContact O-N 3.17Å
47W95.1Very high93.7Very high30 Ų3064.1 Ų64.111%0.11433%0.331CS..  trans-69.9142177.9-66-8.2000111.4V14 Q17 L18 L21 A41 F45 T52 Y55V14-W47 HydrophobicContact CB-CH2 4.45Å; V14-W47 HydrophobicContact CB-CZ2 4.44Å; V14-W47 HydrophobicContact CG1-CH2 3.7Å; V14-W47 HydrophobicContact CG1-CZ2 4.01Å; V14-W47 HydrophobicContact CG2-CZ2 4.27Å; Q17-W47 HydrophobicContact CB-CH2 4.01Å; Q17-W47 HydrophobicContact CB-CZ2 4.2Å; L18-W47 HydrophobicContact CD2-CH2 4.44Å; L18-W47 HydrophobicContact CD2-CZ3 3.81Å; L18-W47 HydrophobicContact CG-CH2 4.09Å; L18-W47 HydrophobicContact CG-CZ3 3.94Å; L21-W47 HydrophobicContact CD1-CZ3 4.5Å; A41-W47 HydrophobicContact CB-CB 4.43Å; A41-W47 HydrophobicContact CB-CD2 4.39Å; A41-W47 HydrophobicContact CB-CE3 3.75Å; A41-W47 HydrophobicContact CB-CZ3 4.42Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 HydrophobicContact CB-CD2 4.17Å; F45-W47 HydrophobicContact CB-CG 4.08Å; F45-W47 HydrophobicContact CD2-CD2 4.43Å; F45-W47 HydrophobicContact CD2-CH2 4.39Å; F45-W47 HydrophobicContact CD2-CZ2 4.26Å; F45-W47 PolarHBondContact O-N 2.98Å; W47-T52 WeakPolarHBondContact CB-OG1 3.28Å; W47-T52 HydrophobicContact CE3-CG2 4.41Å; W47-Y55 HydrophobicContact CD2-CD2 4.12Å; W47-Y55 AromaticContact CD2-CE2 3.95Å; W47-Y55 HydrophobicContact CD2-CE2 3.95Å; W47-Y55 AromaticContact CE2-CE2 3.98Å; W47-Y55 AromaticContact CE3-CD2 3.77Å; W47-Y55 HydrophobicContact CE3-CD2 3.77Å; W47-Y55 HydrophobicContact CE3-CE2 4.08Å; W47-Y55 HydrophobicContact CG-CE2 4.46Å; W47-Y55 HydrophobicContact CH2-CD2 4Å; W47-Y55 HydrophobicContact CH2-CE2 4.34Å; W47-Y55 HydrophobicContact CZ2-CD2 4.27Å; W47-Y55 HydrophobicContact CZ2-CE2 4.15Å; W47-Y55 AromaticContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CE2 4.31Å
48T95.1Very high93.5Very high65 Ų6565.3 Ų65.340%0.39934%0.336SS..  trans-67.7160.6169.170.40000110E50 D51 T52T48-E50 VanDerWaalsContact C-N 3.29Å; T48-E50 PolarHBondContact O-N 3.32Å; T48-D51 PolarHBondContact O-N 3.46Å; T48-D51 WeakPolarHBondContact OG1-CB 3.46Å; T48-D51 PolarHBondContact OG1-N 2.89Å; T48-D51 PolarHBondContact OG1-OD2 3.48Å; T48-T52 WeakPolarHBondContact O-CB 3.25Å; T48-T52 PolarHBondContact O-N 3.47Å; T48-T52 PolarHBondContact O-OG1 3.01Å
49R94.5Very high93.4Very high99 Ų9965 Ų6537%0.37433%0.334SS..Hα-helixtrans-61.1-44.6174.7179.5169.1-176.5118.88.1110.3E35 V38 D51 T52 E53E35-R49 IonicContact OE1-CZ 3.86Å; E35-R49 IonicContact OE1-NH1 3.98Å; E35-R49 IonicContact OE1-NH2 3.59Å; E35-R49 PolarHBondContact OE1-NH2 2.87Å; E35-R49 IonicContact OE2-CZ 2.72Å; E35-R49 IonicContact OE2-NH1 3.49Å; E35-R49 PolarHBondContact OE2-NH1 2.73Å; E35-R49 IonicContact OE2-NH2 3.25Å; E35-R49 PolarHBondContact OE2-NH2 3.03Å; V38-R49 HydrophobicContact CG1-CB 4.14Å; V38-R49 HydrophobicContact CG1-CG 3.92Å; V38-R49 HydrophobicContact CG2-CG 4.36Å; R49-D51 PolarHBondContact O-N 2.99Å; R49-T52 PolarHBondContact O-N 2.95Å; R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.34Å; R49-E53 IonicContact NE-OE1 2.59Å; R49-E53 PolarHBondContact NE-OE1 3.41Å; R49-E53 IonicContact NH2-OE1 2.58Å; R49-E53 PolarHBondContact NH2-OE1 2.87Å; R49-E53 VanDerWaalsContact NH2-OE1 3.13Å; R49-E53 WeakPolarHBondContact O-CB 3.38Å; R49-E53 VanDerWaalsContact O-CG 3.31Å; R49-E53 WeakPolarHBondContact O-CG 3.45Å; R49-E53 PolarHBondContact O-N 2.99Å
50E95.3Very high93.3Very high136 Ų13664.4 Ų64.464%0.63633%0.326SS*.Hα-helixtrans-59.2-45.7-179.9-65.171.7-158.900111.8T48 A54T48-E50 VanDerWaalsContact C-N 3.29Å; T48-E50 PolarHBondContact O-N 3.32Å; E50-A54 WeakPolarHBondContact O-CB 3.45Å; E50-A54 PolarHBondContact O-N 3.5Å
51D94.8Very high93.2Very high70 Ų7064.9 Ų64.937%0.37433%0.333SS..Hα-helixtrans-65.4-44.6177.6-66.4-39.1000111.3T48 R49 E53 A54 Y55T48-D51 PolarHBondContact O-N 3.46Å; T48-D51 WeakPolarHBondContact OG1-CB 3.46Å; T48-D51 PolarHBondContact OG1-N 2.89Å; T48-D51 PolarHBondContact OG1-OD2 3.48Å; R49-D51 PolarHBondContact O-N 2.99Å; D51-E53 PolarHBondContact O-N 2.93Å; D51-A54 PolarHBondContact O-N 2.91Å; D51-Y55 HydrophobicContact CB-CE2 3.96Å; D51-Y55 WeakPolarHBondContact O-CD2 3.32Å; D51-Y55 PolarHBondContact O-N 2.9Å
52T95.5Very high92.8Very high0 Ų065.7 Ų65.70%034%0.338CS..Hα-helixtrans-62.3-45.6-180-55.40000111.3I37 V38 A41 W47 T48 R49 A54 Y55 V56I37-T52 HydrophobicContact CG2-CG2 3.79Å; V38-T52 HydrophobicContact CG2-CG2 3.89Å; A41-T52 HydrophobicContact CB-CG2 3.93Å; W47-T52 WeakPolarHBondContact CB-OG1 3.28Å; W47-T52 HydrophobicContact CE3-CG2 4.41Å; T48-T52 WeakPolarHBondContact O-CB 3.25Å; T48-T52 PolarHBondContact O-N 3.47Å; T48-T52 PolarHBondContact O-OG1 3.01Å; R49-T52 PolarHBondContact O-N 2.95Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.37Å; T52-Y55 PolarHBondContact O-N 3.27Å; T52-V56 HydrophobicContact CG2-CG2 4.42Å; T52-V56 WeakPolarHBondContact O-CB 3.4Å; T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.32Å; T52-V56 PolarHBondContact O-N 3.46Å
53E95.1Very high92.5Very high70 Ų7067 Ų6733%0.32734%0.338SS..Hα-helixtrans-62-40.6176.3-69.6-174-176.700111.4L34 V38 R49 D51 K57L34-E53 HydrophobicContact CD1-CG 4.22Å; L34-E53 HydrophobicContact CD2-CG 4.05Å; L34-E53 HydrophobicContact CG-CG 4.35Å; V38-E53 HydrophobicContact CG2-CG 4.32Å; R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.34Å; R49-E53 IonicContact NE-OE1 2.59Å; R49-E53 PolarHBondContact NE-OE1 3.41Å; R49-E53 IonicContact NH2-OE1 2.58Å; R49-E53 PolarHBondContact NH2-OE1 2.87Å; R49-E53 VanDerWaalsContact NH2-OE1 3.13Å; R49-E53 WeakPolarHBondContact O-CB 3.38Å; R49-E53 VanDerWaalsContact O-CG 3.31Å; R49-E53 WeakPolarHBondContact O-CG 3.45Å; R49-E53 PolarHBondContact O-N 2.99Å; D51-E53 PolarHBondContact O-N 2.93Å; E53-K57 WeakPolarHBondContact O-CB 3.39Å; E53-K57 PolarHBondContact O-N 2.87Å
54A93.9Very high92.4Very high52 Ų5258.4 Ų58.443%0.4330%0.301SS..Hα-helixtrans-63.4-46.4175.500000112.3E50 D51 T52 K57 E58E50-A54 WeakPolarHBondContact O-CB 3.45Å; E50-A54 PolarHBondContact O-N 3.5Å; D51-A54 PolarHBondContact O-N 2.91Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.37Å; A54-K57 PolarHBondContact O-N 3.49Å; A54-E58 WeakPolarHBondContact O-CB 3.35Å; A54-E58 PolarHBondContact O-N 3.29Å
55Y95Very high92.4Very high62 Ų6255 Ų5524%0.24328%0.28CS..Hα-helixtrans-65.2-42.2179-59.4-33.8000112.5I10 V14 W47 D51 T52 C59I10-Y55 HydrophobicContact CG1-CD1 4.42Å; V14-Y55 HydrophobicContact CG1-CD1 3.96Å; V14-Y55 HydrophobicContact CG1-CD2 3.64Å; V14-Y55 HydrophobicContact CG1-CE1 4.31Å; V14-Y55 HydrophobicContact CG1-CE2 4Å; V14-Y55 HydrophobicContact CG1-CG 3.63Å; W47-Y55 HydrophobicContact CD2-CD2 4.12Å; W47-Y55 AromaticContact CD2-CE2 3.95Å; W47-Y55 HydrophobicContact CD2-CE2 3.95Å; W47-Y55 AromaticContact CE2-CE2 3.98Å; W47-Y55 AromaticContact CE3-CD2 3.77Å; W47-Y55 HydrophobicContact CE3-CD2 3.77Å; W47-Y55 HydrophobicContact CE3-CE2 4.08Å; W47-Y55 HydrophobicContact CG-CE2 4.46Å; W47-Y55 HydrophobicContact CH2-CD2 4Å; W47-Y55 HydrophobicContact CH2-CE2 4.34Å; W47-Y55 HydrophobicContact CZ2-CD2 4.27Å; W47-Y55 HydrophobicContact CZ2-CE2 4.15Å; W47-Y55 AromaticContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CE2 4.31Å; D51-Y55 HydrophobicContact CB-CE2 3.96Å; D51-Y55 WeakPolarHBondContact O-CD2 3.32Å; D51-Y55 PolarHBondContact O-N 2.9Å; T52-Y55 PolarHBondContact O-N 3.27Å; Y55-C59 VanDerWaalsContact O-CB 3.26Å; Y55-C59 WeakPolarHBondContact O-CB 3.37Å; Y55-C59 PolarHBondContact O-N 2.85Å; Y55-C59 PolarHBondContact O-SG 3.44Å; Y55-C59 VanDerWaalsContact O-SG 3.32Å
56V94.4Very high92.4Very high1 Ų154.2 Ų54.21%0.00628%0.28CS..Hα-helixtrans-64.3-45177.4170.80000110.5L18 L34 I37 T52 C59 A60 L65 Y78L18-V56 HydrophobicContact CD2-CG2 3.9Å; L34-V56 HydrophobicContact CD1-CB 4.14Å; L34-V56 HydrophobicContact CD1-CG1 4.04Å; L34-V56 HydrophobicContact CD1-CG2 4.21Å; I37-V56 HydrophobicContact CD1-CG2 4.07Å; I37-V56 HydrophobicContact CG2-CG2 3.88Å; T52-V56 HydrophobicContact CG2-CG2 4.42Å; T52-V56 WeakPolarHBondContact O-CB 3.4Å; T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.32Å; T52-V56 PolarHBondContact O-N 3.46Å; V56-C59 PolarHBondContact O-N 3.45Å; V56-A60 WeakPolarHBondContact O-CB 3.23Å; V56-A60 PolarHBondContact O-N 3.37Å; V56-L65 HydrophobicContact CG1-CD1 4.44Å; V56-Y78 HydrophobicContact CG1-CD1 3.65Å; V56-Y78 HydrophobicContact CG1-CD2 4.23Å; V56-Y78 HydrophobicContact CG1-CE1 3.29Å; V56-Y78 HydrophobicContact CG1-CE2 3.94Å; V56-Y78 HydrophobicContact CG1-CG 4.1Å; V56-Y78 VanDerWaalsContact CG1-CZ 3.45Å
57K92.5Very high92.4Very high132 Ų13256.8 Ų56.857%0.57427%0.271SS*.Hα-helixtrans-60.8-49.3178-178.6-179.4177.9-178.70111.5E53 A54 A60 D61E53-K57 WeakPolarHBondContact O-CB 3.39Å; E53-K57 PolarHBondContact O-N 2.87Å; A54-K57 PolarHBondContact O-N 3.49Å; K57-A60 WeakPolarHBondContact O-CB 3.28Å; K57-A60 PolarHBondContact O-N 2.9Å; K57-D61 VanDerWaalsContact O-CG 3.31Å; K57-D61 PolarHBondContact O-N 3.47Å
58E91Very high92.1Very high25 Ų2559.2 Ų59.212%0.11729%0.286CS..Hα-helixtrans-70.5-35.7-178.8-177.9177.9146.800112R3 S9 I10 A54 A60 D61 C62R3-E58 IonicContact NH1-OE2 2.98Å; R3-E58 PolarHBondContact NH1-OE2 3.4Å; S9-E58 VanDerWaalsContact CA-OE1 3.31Å; S9-E58 WeakPolarHBondContact CA-OE1 3.34Å; S9-E58 VanDerWaalsContact CB-OE1 3.32Å; S9-E58 WeakPolarHBondContact CB-OE1 3.27Å; S9-E58 PolarHBondContact N-OE1 3.21Å; S9-E58 PolarHBondContact OG-OE1 3.04Å; S9-E58 PolarHBondContact OG-OE2 2.97Å; I10-E58 HydrophobicContact CD1-CB 3.55Å; I10-E58 HydrophobicContact CD1-CG 3.56Å; I10-E58 HydrophobicContact CG1-CB 4.16Å; I10-E58 HydrophobicContact CG1-CG 3.96Å; I10-E58 WeakPolarHBondContact CG1-OE1 3.33Å; I10-E58 PolarHBondContact N-OE1 2.99Å; I10-E58 VanDerWaalsContact N-OE1 3.11Å; A54-E58 WeakPolarHBondContact O-CB 3.35Å; A54-E58 PolarHBondContact O-N 3.29Å; E58-A60 VanDerWaalsContact C-N 3.28Å; E58-A60 PolarHBondContact O-N 2.92Å; E58-D61 PolarHBondContact O-N 3.34Å; E58-C62 VanDerWaalsContact O-CB 3.3Å; E58-C62 WeakPolarHBondContact O-CB 3.34Å; E58-C62 PolarHBondContact O-N 3.28Å; E58-C62 PolarHBondContact O-SG 2.89Å; E58-C62 VanDerWaalsContact O-SG 3.38Å
59C91.8Very high91.6Very high0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-59.5-40.7170.3-81.40000111.9I10 L18 Y55 V56 C62 R63 L64 L65I10-C59 HydrophobicContact CD1-CB 4.33Å; I10-C59 VanDerWaalsContact CD1-SG 3.52Å; L18-C59 HydrophobicContact CD1-CB 4.41Å; L18-C59 WeakPolarHBondContact CD1-SG 3.41Å; Y55-C59 VanDerWaalsContact O-CB 3.26Å; Y55-C59 WeakPolarHBondContact O-CB 3.37Å; Y55-C59 PolarHBondContact O-N 2.85Å; Y55-C59 PolarHBondContact O-SG 3.44Å; Y55-C59 VanDerWaalsContact O-SG 3.32Å; V56-C59 PolarHBondContact O-N 3.45Å; C59-C62 PolarHBondContact O-N 3.28Å; C59-R63 PolarHBondContact O-N 2.86Å; C59-L64 HydrophobicContact CB-CB 4.08Å; C59-L64 WeakPolarHBondContact O-CA 3.46Å; C59-L64 WeakPolarHBondContact O-CB 3.17Å; C59-L64 PolarHBondContact O-N 3.47Å; C59-L65 HydrophobicContact CB-CB 4.18Å; C59-L65 HydrophobicContact CB-CD1 3.67Å; C59-L65 HydrophobicContact CB-CG 3.79Å; C59-L65 PolarHBondContact O-N 3.36Å; C59-L65 VanDerWaalsContact O-N 3.12Å
60A90.7Very high90.7Very high17 Ų1756.7 Ų56.714%0.1429%0.289CS..Hα-helixtrans-66.2-43.1176.600000111.7V56 K57 E58 C62 R63 L65 R67V56-A60 WeakPolarHBondContact O-CB 3.23Å; V56-A60 PolarHBondContact O-N 3.37Å; K57-A60 WeakPolarHBondContact O-CB 3.28Å; K57-A60 PolarHBondContact O-N 2.9Å; E58-A60 VanDerWaalsContact C-N 3.28Å; E58-A60 PolarHBondContact O-N 2.92Å; A60-C62 VanDerWaalsContact C-N 3.32Å; A60-C62 PolarHBondContact O-N 3.48Å; A60-R63 PolarHBondContact O-N 2.92Å; A60-L65 WeakPolarHBondContact CA-O 3.49Å; A60-R67 HydrophobicContact CB-CB 4.21Å
61D88.8Confident89.7Confident91 Ų9155.8 Ų55.849%0.48730%0.298SS..Hα-helixtrans-65.3-35.2177.4-68.5-17.3000111.8K57 E58 R63K57-D61 VanDerWaalsContact O-CG 3.31Å; K57-D61 PolarHBondContact O-N 3.47Å; E58-D61 PolarHBondContact O-N 3.34Å; D61-R63 VanDerWaalsContact C-N 3.28Å; D61-R63 PolarHBondContact O-N 2.87Å
62C86.5Confident88.6Confident18 Ų1858.7 Ų58.712%0.12232%0.318CS..THydrogen-bonded Turntrans-83.76.9175.8-68.20000114.3R8 E58 C59 A60 L64R8-C62 HydrophobicContact CG-CB 4.46Å; E58-C62 VanDerWaalsContact O-CB 3.3Å; E58-C62 WeakPolarHBondContact O-CB 3.34Å; E58-C62 PolarHBondContact O-N 3.28Å; E58-C62 PolarHBondContact O-SG 2.89Å; E58-C62 VanDerWaalsContact O-SG 3.38Å; C59-C62 PolarHBondContact O-N 3.28Å; A60-C62 VanDerWaalsContact C-N 3.32Å; A60-C62 PolarHBondContact O-N 3.48Å; C62-L64 HydrophobicContact CB-CD1 4.22Å; C62-L64 HydrophobicContact CB-CG 4.27Å; C62-L64 PolarHBondContact O-N 3.3Å
63R87.4Confident87.3Confident152 Ų15264.3 Ų64.357%0.57434%0.342SS*.THydrogen-bonded Turntrans59.421.7-177.7-54.4176.9178.3154.8-0.2114.6C59 A60 D61 P81 E85C59-R63 PolarHBondContact O-N 2.86Å; A60-R63 PolarHBondContact O-N 2.92Å; D61-R63 VanDerWaalsContact C-N 3.28Å; D61-R63 PolarHBondContact O-N 2.87Å; R63-P81 VanDerWaalsContact O-CG 3.3Å; R63-P81 WeakPolarHBondContact O-CG 3.48Å; R63-E85 IonicContact CZ-OE2 3.83Å; R63-E85 IonicContact NE-OE2 3.42Å; R63-E85 IonicContact NH1-OE2 3.79Å; R63-E85 PolarHBondContact NH1-OE2 2.96Å
64L88.9Confident86.5Confident2 Ų268.6 Ų68.61%0.0137%0.367CS..SBendtrans-82.5-19171.1-66.8171.4000112.1V15 W19 C59 C62 P81 L157V15-L64 HydrophobicContact CG1-CB 4.35Å; V15-L64 HydrophobicContact CG1-CD1 3.95Å; V15-L64 HydrophobicContact CG1-CD2 4.19Å; V15-L64 HydrophobicContact CG1-CG 4.41Å; V15-L64 HydrophobicContact CG2-CD1 3.69Å; W19-L64 HydrophobicContact CZ2-CD2 4.12Å; W19-L64 PolarHBondContact NE1-O 3.33Å; C59-L64 HydrophobicContact CB-CB 4.08Å; C59-L64 WeakPolarHBondContact O-CA 3.46Å; C59-L64 WeakPolarHBondContact O-CB 3.17Å; C59-L64 PolarHBondContact O-N 3.47Å; C62-L64 HydrophobicContact CB-CD1 4.22Å; C62-L64 HydrophobicContact CB-CG 4.27Å; C62-L64 PolarHBondContact O-N 3.3Å; L64-P81 WeakPolarHBondContact O-CD 3.31Å; L64-L157 HydrophobicContact CD2-CB 4.12Å
65L91.6Very high86Confident3 Ų367.9 Ų67.92%0.01636%0.362CS..SBendtrans-131.7143.6169.1-70.4175.6000109.6V22 V56 C59 A60V22-L65 HydrophobicContact CG2-CD2 4.11Å; V56-L65 HydrophobicContact CG1-CD1 4.44Å; C59-L65 HydrophobicContact CB-CB 4.18Å; C59-L65 HydrophobicContact CB-CD1 3.67Å; C59-L65 HydrophobicContact CB-CG 3.79Å; C59-L65 PolarHBondContact O-N 3.36Å; C59-L65 VanDerWaalsContact O-N 3.12Å; A60-L65 WeakPolarHBondContact CA-O 3.49Å
66V90.8Very high85.7Confident52 Ų5270.9 Ų70.932%0.31537%0.373SS..EExtended strand (participates in β ladder)trans-91.6123.4169.6-178.80000108.1Y78 S79 P81V66-Y78 WeakPolarHBondContact O-CA 3.32Å; V66-S79 PolarHBondContact N-O 2.97Å; V66-S79 PolarHBondContact O-N 2.92Å; V66-P81 HydrophobicContact CG2-CB 4.04Å; V66-P81 HydrophobicContact CG2-CG 3.93Å
67R91.6Very high85.5Confident116 Ų11672.1 Ų72.144%0.43838%0.381SS..EExtended strand (participates in β ladder)trans-101.2111.9173.7-178.3-173.767.2-151.2-4.6109.6A60 Y76 Y78A60-R67 HydrophobicContact CB-CB 4.21Å; R67-Y76 HydrophobicContact CG-CD1 3.6Å; R67-Y76 HydrophobicContact CG-CE1 4.34Å; R67-Y76 HydrophobicContact CG-CG 3.86Å; R67-Y78 HydrophobicContact CB-CD1 4.21Å; R67-Y78 HydrophobicContact CB-CE1 3.95Å; R67-Y78 HydrophobicContact CG-CD1 4.39Å; R67-Y78 HydrophobicContact CG-CE1 3.79Å
68N89Confident85.5Confident81 Ų8166.9 Ų66.943%0.43336%0.358SS..EExtended strand (participates in β ladder)trans-110.1142.5175.9-69.2-32.6000110.4Y76 C77N68-Y76 CarbonylContact O-C 3.53Å; N68-Y76 WeakPolarHBondContact O-CA 3.3Å; N68-C77 PolarHBondContact N-O 3.45Å; N68-C77 PolarHBondContact O-N 3.47Å
69A85Confident85.5Confident81 Ų8167.7 Ų67.767%0.66937%0.367SS*.EExtended strand (participates in β ladder)trans-80.2120.517300000109.4Y76A69-Y76 HydrophobicContact CB-CD1 4.24Å; A69-Y76 HydrophobicContact CB-CE1 4.06Å
70D76.2Confident85.4Confident29 Ų2969 Ų6916%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-89.2109.2172.4-174.2-13.3000108.9V72 K73 N74 A75D70-V72 PolarHBondContact O-N 2.96Å; D70-V72 WeakPolarHBondContact OD1-CB 3.35Å; D70-V72 PolarHBondContact OD1-N 3.31Å; D70-K73 PolarHBondContact OD1-N 2.92Å; D70-N74 WeakPolarHBondContact O-CA 3.22Å; D70-N74 PolarHBondContact O-N 3.38Å; D70-N74 VanDerWaalsContact O-N 3.09Å; D70-A75 WeakPolarHBondContact CA-O 3.34Å; D70-A75 VanDerWaalsContact CB-O 3.3Å; D70-A75 WeakPolarHBondContact CB-O 3.22Å; D70-A75 PolarHBondContact N-O 3.34Å; D70-A75 PolarHBondContact O-N 2.91Å
71S74.2Confident85.1Confident117 Ų11768.8 Ų68.882%0.81837%0.371SS*.THydrogen-bonded Turntrans-67.1-20.9178.344.30000113.3
72V71Confident84.8Confident132 Ų13271.6 Ų71.680%0.838%0.384SS*.THydrogen-bonded Turntrans-83-42-177.8-175.20000111.2D70D70-V72 PolarHBondContact O-N 2.96Å; D70-V72 WeakPolarHBondContact OD1-CB 3.35Å; D70-V72 PolarHBondContact OD1-N 3.31Å
73K68.8Low84.1Confident118 Ų11878.6 Ų78.651%0.51342%0.415SS..THydrogen-bonded Turntrans-93.8-3.3179.7-70.1-172.4177.5-178.50114.3T33 D70 A75T33-K73 HydrophobicContact CG2-CD 4.27Å; D70-K73 PolarHBondContact OD1-N 2.92Å; K73-A75 HydrophobicContact CB-CB 4.14Å; K73-A75 PolarHBondContact O-N 3.24Å
74N77.2Confident83.2Confident159 Ų15972 Ų7285%0.8539%0.393SS*.THydrogen-bonded Turntrans49.738.3-170.9-165.649000112.1D70D70-N74 WeakPolarHBondContact O-CA 3.22Å; D70-N74 PolarHBondContact O-N 3.38Å; D70-N74 VanDerWaalsContact O-N 3.09Å
75A82.9Confident82Confident38 Ų3878.7 Ų78.731%0.31442%0.424SS..EExtended strand (participates in β ladder)trans-139.6161-17300000110.3D70 K73D70-A75 WeakPolarHBondContact CA-O 3.34Å; D70-A75 VanDerWaalsContact CB-O 3.3Å; D70-A75 WeakPolarHBondContact CB-O 3.22Å; D70-A75 PolarHBondContact N-O 3.34Å; D70-A75 PolarHBondContact O-N 2.91Å; K73-A75 HydrophobicContact CB-CB 4.14Å; K73-A75 PolarHBondContact O-N 3.24Å
76Y89.3Confident80.4Confident125 Ų12587.4 Ų87.449%0.4947%0.465SS..EExtended strand (participates in β ladder)trans-84.4136.7171.7-68.3-71.1000110.8R67 N68 A69R67-Y76 HydrophobicContact CG-CD1 3.6Å; R67-Y76 HydrophobicContact CG-CE1 4.34Å; R67-Y76 HydrophobicContact CG-CG 3.86Å; N68-Y76 CarbonylContact O-C 3.53Å; N68-Y76 WeakPolarHBondContact O-CA 3.3Å; A69-Y76 HydrophobicContact CB-CD1 4.24Å; A69-Y76 HydrophobicContact CB-CE1 4.06Å
77C90.2Very high78.8Confident26 Ų2690.3 Ų90.318%0.17648%0.483CS..EExtended strand (participates in β ladder)trans-106.4148.2168.365.90000111.1V31 V32 N68V31-C77 HydrophobicContact CG1-CB 3.69Å; V32-C77 CarbonylContact O-C 3.53Å; V32-C77 WeakPolarHBondContact O-CA 3.48Å; N68-C77 PolarHBondContact N-O 3.45Å; N68-C77 PolarHBondContact O-N 3.47Å
78Y93.2Very high77.6Confident22 Ų2287 Ų879%0.08647%0.474CS..EExtended strand (participates in β ladder)trans-118.5136.3-175.5-60.6-86.3000110.7V32 L34 I37 V56 V66 R67V32-Y78 WeakPolarHBondContact CB-O 3.4Å; V32-Y78 PolarHBondContact O-N 2.93Å; L34-Y78 HydrophobicContact CB-CE2 3.98Å; L34-Y78 HydrophobicContact CD1-CE2 4.48Å; I37-Y78 HydrophobicContact CD1-CD2 3.92Å; I37-Y78 HydrophobicContact CD1-CG 4.16Å; V56-Y78 HydrophobicContact CG1-CD1 3.65Å; V56-Y78 HydrophobicContact CG1-CD2 4.23Å; V56-Y78 HydrophobicContact CG1-CE1 3.29Å; V56-Y78 HydrophobicContact CG1-CE2 3.94Å; V56-Y78 HydrophobicContact CG1-CG 4.1Å; V56-Y78 VanDerWaalsContact CG1-CZ 3.45Å; V66-Y78 WeakPolarHBondContact O-CA 3.32Å; R67-Y78 HydrophobicContact CB-CD1 4.21Å; R67-Y78 HydrophobicContact CB-CE1 3.95Å; R67-Y78 HydrophobicContact CG-CD1 4.39Å; R67-Y78 HydrophobicContact CG-CE1 3.79Å
79S90.8Very high76.8Confident42 Ų4291 Ų9129%0.29449%0.49SS..EExtended strand (participates in β ladder)trans-140.1158.1175.655.40000110.6V66V66-S79 PolarHBondContact N-O 2.97Å; V66-S79 PolarHBondContact O-N 2.92Å
80I88.6Confident76.9Confident28 Ų2888.3 Ų88.314%0.14446%0.464CS..  trans-75.9135.3173.6-57.3-178.8000107.3W19 V22 K23 I82 Q154W19-I80 HydrophobicContact CB-CD1 3.73Å; W19-I80 HydrophobicContact CG-CD1 3.78Å; W19-I80 HydrophobicContact CG-CG1 4.22Å; V22-I80 HydrophobicContact CB-CG1 4.46Å; V22-I80 HydrophobicContact CG1-CG1 4.01Å; K23-I80 HydrophobicContact CD-CD1 4.12Å; K23-I80 HydrophobicContact CG-CD1 3.69Å; I80-I82 PolarHBondContact O-N 3.03Å; I80-Q154 HydrophobicContact CG2-CG 4.25Å
81P85.8Confident77.4Confident13 Ų1387.1 Ų87.18%0.08446%0.458CS..  trans-54.4141.2176-20.128.1000111.7R63 L64 V66 V153 L157R63-P81 VanDerWaalsContact O-CG 3.3Å; R63-P81 WeakPolarHBondContact O-CG 3.48Å; L64-P81 WeakPolarHBondContact O-CD 3.31Å; V66-P81 HydrophobicContact CG2-CB 4.04Å; V66-P81 HydrophobicContact CG2-CG 3.93Å; P81-V153 WeakPolarHBondContact O-CG1 3.34Å; P81-L157 HydrophobicContact CB-CD1 3.98Å; P81-L157 HydrophobicContact CG-CD1 3.73Å; P81-L157 HydrophobicContact CG-CD2 4.3Å
82I81.5Confident78Confident150 Ų15083.1 Ų83.177%0.76943%0.425SS*.SBendtrans-90.6-19.9176.9-54.9171.3000110.5I80 V153I80-I82 PolarHBondContact O-N 3.03Å; I82-V153 WeakPolarHBondContact O-CG2 3.29Å
83E72.9Confident79Confident164 Ų16476.8 Ų76.877%0.76639%0.386SS*.SBendtrans-131.4143.1177.5-65.7177.4-177.700108.7
84A68.5Low80.2Confident14 Ų1471.2 Ų71.212%0.11636%0.362CS..PPolyproline II helixtrans-99.312716800000107.5V153 R156 L157A84-V153 HydrophobicContact CB-CG1 4.39Å; A84-R156 HydrophobicContact CB-CB 3.65Å; A84-R156 PolarHBondContact O-NH1 3.35Å; A84-L157 HydrophobicContact CB-CD2 4.33Å; A84-L157 HydrophobicContact CB-CG 4.33Å
85E64.1Low81Confident142 Ų14264.6 Ų64.666%0.66433%0.326SS*.PPolyproline II helixtrans-63.1166.3171.7-73.1-175.4168.300111.5R63R63-E85 IonicContact CZ-OE2 3.83Å; R63-E85 IonicContact NE-OE2 3.42Å; R63-E85 IonicContact NH1-OE2 3.79Å; R63-E85 PolarHBondContact NH1-OE2 2.96Å
86E57.8Low81.5Confident187 Ų18767.5 Ų67.587%0.87434%0.336SS*.SBendtrans-53.1156.3-171.4-71.7-176.116800115.1N88E86-N88 PolarHBondContact O-N 3.28Å
87V57.4Low81.8Confident113 Ų11363.5 Ų63.569%0.68533%0.326SS*.PPolyproline II helixtrans-52.3121.5-171.1-176.10000111.5
88N64.4Low82Confident47 Ų4763.6 Ų63.625%0.25132%0.324SS..PPolyproline II helixtrans-74.2137.9167.5-76.5-53.8000110.1E86 N90 W92 H161E86-N88 PolarHBondContact O-N 3.28Å; N88-N90 PolarHBondContact O-N 3.44Å; N88-W92 HydrophobicContact CB-CZ2 4.48Å; N88-W92 WeakPolarHBondContact ND2-CZ2 3.46Å; N88-W92 PolarHBondContact ND2-NE1 2.94Å; N88-W92 VanDerWaalsContact ND2-NE1 3.15Å; N88-H161 PolarHBondContact O-CE1 3.42Å; N88-H161 VanDerWaalsContact O-CE1 3.25Å
89E73.6Confident82Confident165 Ų16566.3 Ų66.377%0.77134%0.337SS*.SBendtrans-62.2-30.6179.7-64.8177.1175.600112.9F110 H161E89-F110 VanDerWaalsContact O-CA 3.22Å; E89-F110 WeakPolarHBondContact O-CA 3.3Å; E89-F110 VanDerWaalsContact O-CB 3.25Å; E89-F110 WeakPolarHBondContact O-CB 3.48Å; E89-H161 PolarHBondContact O-CE1 2.9Å
90N86.2Confident82.1Confident23 Ų2364.9 Ų64.912%0.12333%0.328CS..SBendtrans-126151.4179.4-5699.9000112.2N88 K105 C106 C109 F110N88-N90 PolarHBondContact O-N 3.44Å; N90-K105 HydrophobicContact CB-CB 4.33Å; N90-K105 HydrophobicContact CB-CD 4.04Å; N90-K105 HydrophobicContact CB-CG 4.07Å; N90-C106 PolarHBondContact ND2-O 2.88Å; N90-C109 PolarHBondContact ND2-O 3.08Å; N90-F110 CarbonylContact C-O 3.58Å; N90-F110 VanDerWaalsContact CA-O 3.24Å; N90-F110 WeakPolarHBondContact CA-O 3.28Å
91D86.3Confident82.2Confident4 Ų464.5 Ų64.52%0.02133%0.331CS..  trans-66.6148.2175.1-140.6-52.2000111.8Y93 F110 S112 H192D91-Y93 VanDerWaalsContact C-N 3.28Å; D91-Y93 PolarHBondContact OD1-N 2.88Å; D91-F110 HydrophobicContact CB-CD2 4.16Å; D91-F110 PolarHBondContact N-O 3.41Å; D91-S112 WeakPolarHBondContact O-CB 3.43Å; D91-S112 PolarHBondContact O-OG 3.34Å; D91-H192 IonicContact OD2-CD2 3.43Å; D91-H192 IonicContact OD2-NE2 2.86Å; D91-H192 PolarHBondContact OD2-NE2 3.21Å
92W87.7Confident82.4Confident33 Ų3369.3 Ų69.313%0.12536%0.356CS..SBendtrans-82.7-10.4176.5-54.5-75.3000112.9R8 N88 L103 R156 L157 L158 A160R8-W92 HydrophobicContact CG-CB 4.2Å; R8-W92 HydrophobicContact CG-CG 4.4Å; N88-W92 HydrophobicContact CB-CZ2 4.48Å; N88-W92 WeakPolarHBondContact ND2-CZ2 3.46Å; N88-W92 PolarHBondContact ND2-NE1 2.94Å; N88-W92 VanDerWaalsContact ND2-NE1 3.15Å; W92-L103 WeakPolarHBondContact O-CD1 3.29Å; W92-R156 VanDerWaalsContact CH2-O 3.3Å; W92-R156 WeakPolarHBondContact CH2-O 3.36Å; W92-L157 WeakPolarHBondContact CH2-O 3.44Å; W92-L157 VanDerWaalsContact CZ3-O 3.28Å; W92-L157 WeakPolarHBondContact CZ3-O 3.39Å; W92-L158 VanDerWaalsContact CE3-O 3.28Å; W92-L158 VanDerWaalsContact CZ3-C 3.44Å; W92-A160 HydrophobicContact CE3-CB 4.39Å; W92-A160 HydrophobicContact CZ3-CB 4.24Å
93Y92.4Very high82.8Confident0 Ų063.6 Ų63.60%033%0.327CS..SBendtrans-120.7147.9-175.4-56.3-67.5000111R8 P12 D91 F95 A100 L158 V196R8-Y93 PolarHBondContact NH1-OH 3.03Å; R8-Y93 VanDerWaalsContact NH1-OH 3.08Å; P12-Y93 HydrophobicContact CB-CE1 4.23Å; P12-Y93 HydrophobicContact CG-CD1 3.61Å; P12-Y93 HydrophobicContact CG-CE1 3.48Å; P12-Y93 VanDerWaalsContact CG-CE1 3.48Å; P12-Y93 HydrophobicContact CG-CE2 4.48Å; P12-Y93 HydrophobicContact CG-CG 4.17Å; D91-Y93 VanDerWaalsContact C-N 3.28Å; D91-Y93 PolarHBondContact OD1-N 2.88Å; Y93-F95 PolarHBondContact O-N 3.48Å; Y93-A100 HydrophobicContact CD1-CB 3.95Å; Y93-A100 HydrophobicContact CE1-CB 3.9Å; Y93-L158 WeakPolarHBondContact CD2-O 3.37Å; Y93-L158 HydrophobicContact CE2-CD2 4.25Å; Y93-L158 WeakPolarHBondContact CE2-O 3.34Å; Y93-L158 WeakPolarHBondContact OH-CD2 3.42Å; Y93-V196 HydrophobicContact CD2-CB 4.39Å; Y93-V196 HydrophobicContact CD2-CG1 3.48Å; Y93-V196 VanDerWaalsContact CD2-CG1 3.48Å; Y93-V196 HydrophobicContact CD2-CG2 3.93Å; Y93-V196 HydrophobicContact CE2-CG1 3.57Å; Y93-V196 HydrophobicContact CG-CG1 4.26Å; Y93-V196 HydrophobicContact CG-CG2 4.13Å
94C94Very high83.6Confident0 Ų059.7 Ų59.70%031%0.309CS..BIsolated β-bridgetrans-61.9129.7178173.70000110.5N96 C97 H98 Q99 L103 S112 H114 C117 H192C94-N96 PolarHBondContact O-N 2.91Å; C94-N96 PolarHBondContact SG-N 2.63Å; C94-N96 VanDerWaalsContact SG-N 3.44Å; C94-C97 VanDerWaalsContact CB-SG 3.53Å; C94-H98 WeakPolarHBondContact O-CA 3.31Å; C94-H98 PolarHBondContact O-N 2.97Å; C94-Q99 PolarHBondContact N-O 2.98Å; C94-L103 HydrophobicContact CB-CD2 3.74Å; C94-S112 CarbonylContact C-O 3.5Å; C94-S112 VanDerWaalsContact CA-O 3.26Å; C94-S112 WeakPolarHBondContact CA-O 3.49Å; C94-H114 VanDerWaalsContact CB-CE1 3.47Å; C94-H114 WeakPolarHBondContact CB-CE1 3.36Å; C94-H114 VanDerWaalsContact CB-ND1 3.28Å; C94-H114 WeakPolarHBondContact CB-ND1 3.4Å; C94-C117 VanDerWaalsContact SG-CB 3.56Å; C94-H192 PolarHBondContact O-CE1 3.49Å; C94-H192 VanDerWaalsContact O-CE1 3.29Å
95F94.4Very high84.6Confident20 Ų2063.7 Ų63.79%0.08832%0.323CS..THydrogen-bonded Turntrans-60.6-30.7-178.1-165-100.8000112.9Y93 H98 F110 R111 S112 F113 E188 H192Y93-F95 PolarHBondContact O-N 3.48Å; F95-H98 PolarHBondContact O-CE1 3.46Å; F95-F110 HydrophobicContact CD2-CE2 4.32Å; F95-F110 HydrophobicContact CE2-CE2 4.2Å; F95-F110 HydrophobicContact CE2-CZ 4.11Å; F95-R111 HydrophobicContact CB-CB 4.08Å; F95-R111 HydrophobicContact CB-CG 4.36Å; F95-R111 HydrophobicContact CD1-CG 4.35Å; F95-R111 HydrophobicContact CD2-CB 4.25Å; F95-R111 HydrophobicContact CD2-CG 3.67Å; F95-R111 HydrophobicContact CE2-CG 4.02Å; F95-R111 HydrophobicContact CG-CB 4.13Å; F95-R111 HydrophobicContact CG-CG 3.85Å; F95-S112 PolarHBondContact N-O 2.93Å; F95-F113 HydrophobicContact CB-CD1 4.36Å; F95-F113 HydrophobicContact CB-CE1 3.75Å; F95-F113 HydrophobicContact CB-CE2 4.25Å; F95-F113 HydrophobicContact CB-CZ 3.68Å; F95-F113 HydrophobicContact CD1-CE1 4.41Å; F95-F113 HydrophobicContact CD1-CZ 4.22Å; F95-F113 HydrophobicContact CG-CZ 4.27Å; F95-E188 HydrophobicContact CE1-CB 4.25Å; F95-E188 HydrophobicContact CZ-CB 3.94Å; F95-H192 WeakPolarHBondContact CA-ND1 3.37Å; F95-H192 HydrophobicContact CD2-CB 4.12Å; F95-H192 AromaticContact CD2-CG 3.74Å; F95-H192 AromaticContact CD2-ND1 3.71Å; F95-H192 HydrophobicContact CE2-CB 3.75Å; F95-H192 AromaticContact CE2-CG 3.85Å; F95-H192 HydrophobicContact CZ-CB 4.28Å; F95-H192 PolarHBondContact O-ND1 2.9Å
96N93.3Very high85.9Confident100 Ų10057.1 Ų57.154%0.53529%0.293SS..THydrogen-bonded Turntrans-87.9-48.5-176.8-174.762.4000114.2C94 H98 F113 C117C94-N96 PolarHBondContact O-N 2.91Å; C94-N96 PolarHBondContact SG-N 2.63Å; C94-N96 VanDerWaalsContact SG-N 3.44Å; N96-H98 PolarHBondContact O-NE2 3.45Å; N96-F113 HydrophobicContact CB-CD1 4.41Å; N96-C117 HydrophobicContact CB-CB 4.12Å
97C94.4Very high87.3Confident41 Ų4152.3 Ų52.328%0.27728%0.277SS..THydrogen-bonded Turntrans-102.2-6.9-176.576.90000113.8C94 Q99 H114C94-C97 VanDerWaalsContact CB-SG 3.53Å; C97-Q99 PolarHBondContact O-N 3.35Å; C97-Q99 VanDerWaalsContact O-N 3.12Å; C97-Q99 PolarHBondContact O-NE2 3.03Å; C97-H114 PolarHBondContact SG-CE1 3.37Å; C97-H114 PolarHBondContact SG-ND1 2.99Å
98H94.2Very high88.7Confident28 Ų2851 Ų5113%0.1327%0.269CS..  trans62.115.8179.2-41.5-69.5000114.3P12 C94 F95 N96 H192 N195 V196P12-H98 WeakPolarHBondContact CG-O 3.23Å; C94-H98 WeakPolarHBondContact O-CA 3.31Å; C94-H98 PolarHBondContact O-N 2.97Å; F95-H98 PolarHBondContact O-CE1 3.46Å; N96-H98 PolarHBondContact O-NE2 3.45Å; H98-H192 AromaticContact CE1-ND1 3.48Å; H98-H192 PolarHBondContact CE1-ND1 3Å; H98-H192 AromaticContact ND1-CE1 3.6Å; H98-H192 AromaticContact ND1-CG 3.68Å; H98-H192 AromaticContact ND1-ND1 2.9Å; H98-H192 PolarHBondContact ND1-ND1 3.15Å; H98-N195 HydrophobicContact CB-CB 3.79Å; H98-N195 VanDerWaalsContact CD2-CB 3.41Å; H98-N195 WeakPolarHBondContact CD2-CB 3.35Å; H98-N195 VanDerWaalsContact CD2-CG 3.41Å; H98-V196 HydrophobicContact CB-CG2 4.16Å
99Q93.9Very high89.9Confident78 Ų7849.6 Ų49.636%0.36426%0.263SS..  trans-101.4156.9178.9-58-51-51.400112.7C94 C97 H114C94-Q99 PolarHBondContact N-O 2.98Å; C97-Q99 PolarHBondContact O-N 3.35Å; C97-Q99 VanDerWaalsContact O-N 3.12Å; C97-Q99 PolarHBondContact O-NE2 3.03Å; Q99-H114 PolarHBondContact O-CE1 3.24Å
100A92.4Very high90.6Very high12 Ų1241.9 Ų41.910%0.09923%0.227CC..  trans-76.2174.5172.600000111.6R8 I10 Y93 H114R8-A100 HydrophobicContact CB-CB 4.36Å; R8-A100 WeakPolarHBondContact O-CB 3.48Å; I10-A100 WeakPolarHBondContact O-CB 3.39Å; Y93-A100 HydrophobicContact CD1-CB 3.95Å; Y93-A100 HydrophobicContact CE1-CB 3.9Å; A100-H114 PolarHBondContact O-NE2 3Å
101G90.1Very high90.9Very high20 Ų2041.1 Ų41.121%0.20622%0.222CC..SBendtrans137.6-156.3175.400000113.2R8 L103R8-G101 PolarHBondContact O-N 3.49Å; G101-L103 PolarHBondContact O-N 2.96Å
102D90.3Very high91.2Very high114 Ų11441 Ų4161%0.6122%0.221SC*.SBendtrans-79.1107.6175.5-169.524.1000110H114D102-H114 PolarHBondContact O-CD2 3.46Å
103L90.6Very high91.4Very high30 Ų3040 Ų4016%0.15722%0.218CC..  trans-116.9135.7-171-59.8179.5000111.6W92 C94 G101 F113 H114W92-L103 WeakPolarHBondContact O-CD1 3.29Å; C94-L103 HydrophobicContact CB-CD2 3.74Å; G101-L103 PolarHBondContact O-N 2.96Å; L103-F113 WeakPolarHBondContact CA-O 3.35Å; L103-H114 WeakPolarHBondContact CD2-CD2 3.34Å; L103-H114 WeakPolarHBondContact CD2-NE2 3.42Å
104Q89.8Confident91.4Very high82 Ų8241.6 Ų41.638%0.38323%0.225SC..EExtended strand (participates in β ladder)trans-85.2126.1165.6-61.2-61-39.300109S112 F113 L129Q104-S112 CarbonylContact O-C 3.52Å; Q104-S112 WeakPolarHBondContact O-CA 3.43Å; Q104-F113 PolarHBondContact N-O 3.09Å; Q104-F113 PolarHBondContact O-N 3.4Å; Q104-L129 HydrophobicContact CB-CB 4.38Å; Q104-L129 HydrophobicContact CB-CD2 3.64Å; Q104-L129 WeakPolarHBondContact O-CD2 3.11Å
105K89.6Confident91.3Very high99 Ų9945.9 Ų45.943%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-92134.3-178.7-64.1177.5176.2-167.40110.4N90N90-K105 HydrophobicContact CB-CB 4.33Å; N90-K105 HydrophobicContact CB-CD 4.04Å; N90-K105 HydrophobicContact CB-CG 4.07Å
106C90.4Very high91.1Very high3 Ų352.5 Ų52.52%0.0229%0.288CS..BIsolated β-bridgetrans-66.7138170.8-172.70000110.4N90 T108 C109 R111 L129 C131N90-C106 PolarHBondContact ND2-O 2.88Å; C106-T108 VanDerWaalsContact C-N 3.34Å; C106-T108 PolarHBondContact SG-OG1 3.34Å; C106-C109 WeakPolarHBondContact CB-O 3.42Å; C106-C109 VanDerWaalsContact O-O 3.08Å; C106-R111 WeakPolarHBondContact CB-O 2.94Å; C106-R111 PolarHBondContact N-O 2.96Å; C106-L129 VanDerWaalsContact CA-O 3.31Å; C106-L129 WeakPolarHBondContact CA-O 3.33Å; C106-C131 HydrophobicContact CB-CB 4.01Å; C106-C131 PolarHBondContact SG-N 3.48Å
107T88.4Confident91.2Very high87 Ų8749 Ų4953%0.53427%0.271SS..SBendtrans-79.7-13.7178.651.40000114.7D128 L129T107-D128 HydrophobicContact CG2-CB 3.63Å; T107-L129 PolarHBondContact N-O 3.4Å; T107-L129 PolarHBondContact OG1-O 3.31Å
108T86.7Confident91Very high86 Ų8648.5 Ų48.553%0.52827%0.265SS..SBendtrans-120-6.1-173.756.30000113.9C106 L130 C134C106-T108 VanDerWaalsContact C-N 3.34Å; C106-T108 PolarHBondContact SG-OG1 3.34Å; T108-L130 HydrophobicContact CG2-CD1 3.76Å; T108-L130 WeakPolarHBondContact OG1-CD1 3.44Å; T108-C134 VanDerWaalsContact OG1-CB 3.29Å; T108-C134 WeakPolarHBondContact OG1-CB 3.43Å; T108-C134 PolarHBondContact OG1-SG 2.72Å; T108-C134 VanDerWaalsContact OG1-SG 3.35Å
109C88.8Confident90.8Very high17 Ų1750 Ų5012%0.11528%0.278CS..SBendtrans-152.3175.8176.578.50000110.2N90 C106 R111 C134N90-C109 PolarHBondContact ND2-O 3.08Å; C106-C109 WeakPolarHBondContact CB-O 3.42Å; C106-C109 VanDerWaalsContact O-O 3.08Å; C109-R111 VanDerWaalsContact C-N 3.29Å; C109-R111 PolarHBondContact O-N 2.58Å; C109-R111 PolarHBondContact SG-N 3Å; C109-C134 PolarHBondContact SG-SG 2.87Å
110F89Confident90.3Very high3 Ų351.9 Ų51.91%0.01331%0.307CS..SBendtrans-75.9-11.7-176.572-85000116E89 N90 D91 F95 S112 L140 H161 I189E89-F110 VanDerWaalsContact O-CA 3.22Å; E89-F110 WeakPolarHBondContact O-CA 3.3Å; E89-F110 VanDerWaalsContact O-CB 3.25Å; E89-F110 WeakPolarHBondContact O-CB 3.48Å; N90-F110 CarbonylContact C-O 3.58Å; N90-F110 VanDerWaalsContact CA-O 3.24Å; N90-F110 WeakPolarHBondContact CA-O 3.28Å; D91-F110 HydrophobicContact CB-CD2 4.16Å; D91-F110 PolarHBondContact N-O 3.41Å; F95-F110 HydrophobicContact CD2-CE2 4.32Å; F95-F110 HydrophobicContact CE2-CE2 4.2Å; F95-F110 HydrophobicContact CE2-CZ 4.11Å; F110-S112 PolarHBondContact O-N 3.41Å; F110-L140 HydrophobicContact CD1-CD2 3.28Å; F110-L140 HydrophobicContact CE1-CD1 4.21Å; F110-L140 HydrophobicContact CE1-CD2 3.38Å; F110-L140 HydrophobicContact CE1-CG 4.44Å; F110-H161 WeakPolarHBondContact CB-CE1 3.5Å; F110-H161 WeakPolarHBondContact CB-ND1 3.16Å; F110-H161 VanDerWaalsContact CB-NE2 3.33Å; F110-H161 WeakPolarHBondContact CB-NE2 3.44Å; F110-H161 HydrophobicContact CD1-CB 4.15Å; F110-H161 AromaticContact CD1-CD2 3.72Å; F110-H161 AromaticContact CD1-CG 3.67Å; F110-H161 HydrophobicContact CD2-CB 3.82Å; F110-H161 AromaticContact CD2-CG 3.57Å; F110-H161 AromaticContact CD2-ND1 3.43Å; F110-H161 WeakPolarHBondContact CD2-ND1 3.37Å; F110-H161 HydrophobicContact CE1-CB 4.24Å; F110-H161 HydrophobicContact CE2-CB 3.9Å; F110-H161 HydrophobicContact CG-CB 3.98Å; F110-H161 AromaticContact CG-CD2 3.68Å; F110-H161 AromaticContact CG-CE1 3.67Å; F110-H161 AromaticContact CG-CG 3.32Å; F110-H161 AromaticContact CG-ND1 3.29Å; F110-H161 VanDerWaalsContact CG-ND1 3.29Å; F110-H161 WeakPolarHBondContact CG-ND1 3.24Å; F110-H161 AromaticContact CG-NE2 3.88Å; F110-H161 HydrophobicContact CZ-CB 4.12Å; F110-I189 HydrophobicContact CE1-CD1 3.58Å; F110-I189 HydrophobicContact CE1-CG1 4.22Å; F110-I189 HydrophobicContact CE2-CG2 4.45Å; F110-I189 HydrophobicContact CZ-CB 4.4Å; F110-I189 HydrophobicContact CZ-CD1 3.56Å; F110-I189 HydrophobicContact CZ-CG1 3.72Å; F110-I189 HydrophobicContact CZ-CG2 3.91Å
111R92.1Very high89.9Confident7 Ų758.2 Ų58.23%0.02634%0.339CS..  trans-67.4136.4-170.9-58.8-180179.4-155.4-8.3110.7F95 C106 C109 F113 S133 S185 E188F95-R111 HydrophobicContact CB-CB 4.08Å; F95-R111 HydrophobicContact CB-CG 4.36Å; F95-R111 HydrophobicContact CD1-CG 4.35Å; F95-R111 HydrophobicContact CD2-CB 4.25Å; F95-R111 HydrophobicContact CD2-CG 3.67Å; F95-R111 HydrophobicContact CE2-CG 4.02Å; F95-R111 HydrophobicContact CG-CB 4.13Å; F95-R111 HydrophobicContact CG-CG 3.85Å; C106-R111 WeakPolarHBondContact CB-O 2.94Å; C106-R111 PolarHBondContact N-O 2.96Å; C109-R111 VanDerWaalsContact C-N 3.29Å; C109-R111 PolarHBondContact O-N 2.58Å; C109-R111 PolarHBondContact SG-N 3Å; R111-F113 HydrophobicContact CB-CD2 4.49Å; R111-F113 HydrophobicContact CB-CE2 3.51Å; R111-F113 HydrophobicContact CB-CZ 3.94Å; R111-S133 PolarHBondContact NH1-OG 2.92Å; R111-S185 PolarHBondContact NH2-O 2.66Å; R111-S185 PolarHBondContact NH2-OG 2.96Å; R111-E188 IonicContact CZ-OE2 3.52Å; R111-E188 IonicContact NH1-OE2 3.08Å; R111-E188 PolarHBondContact NH1-OE2 3.26Å; R111-E188 VanDerWaalsContact NH1-OE2 3.08Å; R111-E188 IonicContact NH2-OE2 2.94Å; R111-E188 PolarHBondContact NH2-OE2 2.77Å
112S92.1Very high89.6Confident1 Ų158.9 Ų58.91%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-118.7148175.7-63.80000109.9D91 C94 F95 Q104 F110D91-S112 WeakPolarHBondContact O-CB 3.43Å; D91-S112 PolarHBondContact O-OG 3.34Å; C94-S112 CarbonylContact C-O 3.5Å; C94-S112 VanDerWaalsContact CA-O 3.26Å; C94-S112 WeakPolarHBondContact CA-O 3.49Å; F95-S112 PolarHBondContact N-O 2.93Å; Q104-S112 CarbonylContact O-C 3.52Å; Q104-S112 WeakPolarHBondContact O-CA 3.43Å; F110-S112 PolarHBondContact O-N 3.41Å
113F93.1Very high89.1Confident12 Ų1257.6 Ų57.65%0.05334%0.336CS..EExtended strand (participates in β ladder)trans-140.1142.1-176.3-62.4-97.5000112.3F95 N96 L103 Q104 R111 L118 L129 C131F95-F113 HydrophobicContact CB-CD1 4.36Å; F95-F113 HydrophobicContact CB-CE1 3.75Å; F95-F113 HydrophobicContact CB-CE2 4.25Å; F95-F113 HydrophobicContact CB-CZ 3.68Å; F95-F113 HydrophobicContact CD1-CE1 4.41Å; F95-F113 HydrophobicContact CD1-CZ 4.22Å; F95-F113 HydrophobicContact CG-CZ 4.27Å; N96-F113 HydrophobicContact CB-CD1 4.41Å; L103-F113 WeakPolarHBondContact CA-O 3.35Å; Q104-F113 PolarHBondContact N-O 3.09Å; Q104-F113 PolarHBondContact O-N 3.4Å; R111-F113 HydrophobicContact CB-CD2 4.49Å; R111-F113 HydrophobicContact CB-CE2 3.51Å; R111-F113 HydrophobicContact CB-CZ 3.94Å; F113-L118 HydrophobicContact CB-CD2 3.85Å; F113-L118 HydrophobicContact CB-CG 4.05Å; F113-L118 HydrophobicContact CD1-CD2 4.11Å; F113-L118 HydrophobicContact CD2-CD2 4.33Å; F113-L118 HydrophobicContact CG-CD2 3.84Å; F113-L129 HydrophobicContact CB-CD2 4.49Å; F113-L129 HydrophobicContact CD2-CD2 4.01Å; F113-C131 HydrophobicContact CD2-CB 4.24Å; F113-C131 HydrophobicContact CE2-CB 3.42Å; F113-C131 VanDerWaalsContact CE2-CB 3.42Å; F113-C131 HydrophobicContact CZ-CB 4.01Å
114H92.4Very high88.2Confident34 Ų3459.4 Ų59.416%0.15735%0.349CS..  trans-68.4147.8159.9-57.2106.9000109.2C94 C97 Q99 A100 D102 L103 N116 C117 L118C94-H114 VanDerWaalsContact CB-CE1 3.47Å; C94-H114 WeakPolarHBondContact CB-CE1 3.36Å; C94-H114 VanDerWaalsContact CB-ND1 3.28Å; C94-H114 WeakPolarHBondContact CB-ND1 3.4Å; C97-H114 PolarHBondContact SG-CE1 3.37Å; C97-H114 PolarHBondContact SG-ND1 2.99Å; Q99-H114 PolarHBondContact O-CE1 3.24Å; A100-H114 PolarHBondContact O-NE2 3Å; D102-H114 PolarHBondContact O-CD2 3.46Å; L103-H114 WeakPolarHBondContact CD2-CD2 3.34Å; L103-H114 WeakPolarHBondContact CD2-NE2 3.42Å; H114-N116 PolarHBondContact O-N 2.93Å; H114-N116 VanDerWaalsContact O-N 3.17Å; H114-C117 HydrophobicContact CB-CB 3.95Å; H114-C117 WeakPolarHBondContact O-CA 3.45Å; H114-C117 WeakPolarHBondContact O-CB 3.3Å; H114-C117 PolarHBondContact O-N 3.44Å; H114-L118 PolarHBondContact O-N 2.93Å
115T90.5Very high87.3Confident90 Ų9060 Ų6055%0.55237%0.368SS*.G310 helixtrans-52.4-40174.7-49.80000112C117T115-C117 VanDerWaalsContact C-N 3.31Å; T115-C117 PolarHBondContact O-N 3.15Å
116N91.5Very high86.5Confident158 Ų15857.6 Ų57.685%0.84537%0.372SS*.G310 helixtrans-81.5-6.6179.8-60.6-16.8000114H114H114-N116 PolarHBondContact O-N 2.93Å; H114-N116 VanDerWaalsContact O-N 3.17Å
117C94.2Very high85.9Confident28 Ų2866.5 Ų66.519%0.18942%0.416CS..G310 helixtrans-98.8-2.1176.8-75.50000112.6C94 N96 H114 T115C94-C117 VanDerWaalsContact SG-CB 3.56Å; N96-C117 HydrophobicContact CB-CB 4.12Å; H114-C117 HydrophobicContact CB-CB 3.95Å; H114-C117 WeakPolarHBondContact O-CA 3.45Å; H114-C117 WeakPolarHBondContact O-CB 3.3Å; H114-C117 PolarHBondContact O-N 3.44Å; T115-C117 VanDerWaalsContact C-N 3.31Å; T115-C117 PolarHBondContact O-N 3.15Å
118L91.9Very high85.6Confident29 Ų2967.8 Ų67.815%0.15242%0.419CS..SBendtrans-77.3153.5168.6-68.6165000109.7F113 H114 F122 L129F113-L118 HydrophobicContact CB-CD2 3.85Å; F113-L118 HydrophobicContact CB-CG 4.05Å; F113-L118 HydrophobicContact CD1-CD2 4.11Å; F113-L118 HydrophobicContact CD2-CD2 4.33Å; F113-L118 HydrophobicContact CG-CD2 3.84Å; H114-L118 PolarHBondContact O-N 2.93Å; L118-F122 HydrophobicContact CB-CB 4.29Å; L118-F122 HydrophobicContact CB-CD1 4.14Å; L118-F122 HydrophobicContact CB-CG 4.31Å; L118-F122 HydrophobicContact CD1-CD1 3.87Å; L118-F122 HydrophobicContact CD1-CE1 4.01Å; L118-F122 HydrophobicContact CD2-CD1 4.15Å; L118-F122 HydrophobicContact CD2-CE1 4.17Å; L118-F122 HydrophobicContact CD2-CG 4.46Å; L118-F122 HydrophobicContact CD2-CZ 4.49Å; L118-F122 HydrophobicContact CG-CD1 4.28Å; L118-L129 HydrophobicContact CD1-CD1 4.12Å; L118-L129 HydrophobicContact CD2-CD1 4.14Å
119P88.6Confident85.7Confident60 Ų6064.3 Ų64.339%0.3940%0.397SS..  trans-53.6144.4173.1-23.732.6000111.9D121 F122 P132P119-D121 WeakPolarHBondContact CB-OD1 3.45Å; P119-D121 PolarHBondContact O-N 2.98Å; P119-F122 HydrophobicContact CB-CB 4.11Å; P119-F122 HydrophobicContact CG-CB 4.4Å; P119-F122 WeakPolarHBondContact O-CB 3.36Å; P119-F122 PolarHBondContact O-N 3.4Å; P119-P132 HydrophobicContact CG-CG 3.98Å
120A84.2Confident85.6Confident118 Ų11865.7 Ų65.798%0.97540%0.403SS*.THydrogen-bonded Turntrans-63.7-26.9-175.100000113.7
121D83.3Confident85.7Confident145 Ų14565.6 Ų65.678%0.77540%0.403SS*.THydrogen-bonded Turntrans-936.3176.364.1-32.2000113.2P119 S123P119-D121 WeakPolarHBondContact CB-OD1 3.45Å; P119-D121 PolarHBondContact O-N 2.98Å; D121-S123 PolarHBondContact O-N 3.46Å; D121-S123 VanDerWaalsContact O-N 3.15Å
122F83.7Confident85.5Confident34 Ų3467.1 Ų67.115%0.14941%0.413CS..  trans-69.2112.7-177-176-99.2000111.4L118 P119 P124 L129 L130 P132 Q135L118-F122 HydrophobicContact CB-CB 4.29Å; L118-F122 HydrophobicContact CB-CD1 4.14Å; L118-F122 HydrophobicContact CB-CG 4.31Å; L118-F122 HydrophobicContact CD1-CD1 3.87Å; L118-F122 HydrophobicContact CD1-CE1 4.01Å; L118-F122 HydrophobicContact CD2-CD1 4.15Å; L118-F122 HydrophobicContact CD2-CE1 4.17Å; L118-F122 HydrophobicContact CD2-CG 4.46Å; L118-F122 HydrophobicContact CD2-CZ 4.49Å; L118-F122 HydrophobicContact CG-CD1 4.28Å; P119-F122 HydrophobicContact CB-CB 4.11Å; P119-F122 HydrophobicContact CG-CB 4.4Å; P119-F122 WeakPolarHBondContact O-CB 3.36Å; P119-F122 PolarHBondContact O-N 3.4Å; F122-P124 HydrophobicContact CE1-CB 4.12Å; F122-L129 HydrophobicContact CE1-CD1 3.45Å; F122-L129 VanDerWaalsContact CE1-CD1 3.45Å; F122-L129 HydrophobicContact CZ-CD1 3.54Å; F122-L130 WeakPolarHBondContact CZ-O 3.32Å; F122-P132 HydrophobicContact CD2-CG 4.03Å; F122-P132 HydrophobicContact CE2-CG 4.03Å; F122-Q135 VanDerWaalsContact CE2-OE1 3.28Å
123S79.7Confident85.3Confident87 Ų8768.2 Ų68.261%0.60842%0.421SS*.  trans-103.8109.7173.6-174.30000109.8D121D121-S123 PolarHBondContact O-N 3.46Å; D121-S123 VanDerWaalsContact O-N 3.15Å
124P73Confident85.1Confident67 Ų6768.7 Ų68.744%0.43543%0.426SS..  trans-65.7136.5175.925.5-30.9000110.3F122 G126F122-P124 HydrophobicContact CE1-CB 4.12Å; P124-G126 PolarHBondContact O-N 2.93Å
125A69.3Low84.8Confident94 Ų9472 Ų7278%0.77744%0.441SS*.SBendtrans-74.519.8-179.700000114
126G74.7Confident84.4Confident49 Ų4970 Ų7051%0.50543%0.434SS..SBendtrans158.7-160.3-174.300000112.9P124 D128P124-G126 PolarHBondContact O-N 2.93Å; G126-D128 VanDerWaalsContact C-N 3.31Å
127M76Confident83.7Confident191 Ų19164.8 Ų64.894%0.94142%0.418SS*.SBendtrans-72.8-26.8174.3-65.7-71.3-172.300112.4
128D83.3Confident82.6Confident114 Ų11463.7 Ų63.761%0.6141%0.41SS*.SBendtrans-94.3135.9-175.8-71.2-33.1000111.3T107 G126 L130T107-D128 HydrophobicContact CG2-CB 3.63Å; G126-D128 VanDerWaalsContact C-N 3.31Å; D128-L130 PolarHBondContact O-N 2.9Å
129L87.7Confident81.3Confident12 Ų1270 Ų706%0.06344%0.436CS..BIsolated β-bridgetrans-74.5120.4179.1176.468000111Q104 C106 T107 F113 L118 F122Q104-L129 HydrophobicContact CB-CB 4.38Å; Q104-L129 HydrophobicContact CB-CD2 3.64Å; Q104-L129 WeakPolarHBondContact O-CD2 3.11Å; C106-L129 VanDerWaalsContact CA-O 3.31Å; C106-L129 WeakPolarHBondContact CA-O 3.33Å; T107-L129 PolarHBondContact N-O 3.4Å; T107-L129 PolarHBondContact OG1-O 3.31Å; F113-L129 HydrophobicContact CB-CD2 4.49Å; F113-L129 HydrophobicContact CD2-CD2 4.01Å; L118-L129 HydrophobicContact CD1-CD1 4.12Å; L118-L129 HydrophobicContact CD2-CD1 4.14Å; F122-L129 HydrophobicContact CE1-CD1 3.45Å; F122-L129 VanDerWaalsContact CE1-CD1 3.45Å; F122-L129 HydrophobicContact CZ-CD1 3.54Å
130L88.2Confident79.7Confident47 Ų4769.1 Ų69.125%0.24643%0.428CS..  trans-102.6108.1160.1-17566.6000108.6T108 F122 D128 C134 Q135T108-L130 HydrophobicContact CG2-CD1 3.76Å; T108-L130 WeakPolarHBondContact OG1-CD1 3.44Å; F122-L130 WeakPolarHBondContact CZ-O 3.32Å; D128-L130 PolarHBondContact O-N 2.9Å; L130-C134 HydrophobicContact CD1-CB 3.47Å; L130-C134 VanDerWaalsContact CD1-CB 3.47Å; L130-C134 HydrophobicContact CG-CB 4.04Å; L130-Q135 HydrophobicContact CD2-CB 3.98Å; L130-Q135 HydrophobicContact CD2-CG 4.43Å; L130-Q135 HydrophobicContact CG-CB 4.2Å
131C90.3Very high78.2Confident0 Ų067.3 Ų67.30%040%0.401CS..  trans-60.8159-173.579.60000113.2C106 F113 S133 C134 Q135C106-C131 HydrophobicContact CB-CB 4.01Å; C106-C131 PolarHBondContact SG-N 3.48Å; F113-C131 HydrophobicContact CD2-CB 4.24Å; F113-C131 HydrophobicContact CE2-CB 3.42Å; F113-C131 VanDerWaalsContact CE2-CB 3.42Å; F113-C131 HydrophobicContact CZ-CB 4.01Å; C131-S133 PolarHBondContact O-N 2.87Å; C131-S133 VanDerWaalsContact O-N 3.08Å; C131-C134 PolarHBondContact O-N 3.38Å; C131-C134 PolarHBondContact SG-N 3.26Å; C131-C134 PolarHBondContact SG-SG 2.89Å; C131-Q135 PolarHBondContact O-N 3.44Å
132P88.7Confident76.3Confident39 Ų3966.8 Ų66.825%0.25340%0.403SS..Hα-helixtrans-51.4-37.6-178.2-29.535.5000114.2P119 F122 A136P119-P132 HydrophobicContact CG-CG 3.98Å; F122-P132 HydrophobicContact CD2-CG 4.03Å; F122-P132 HydrophobicContact CE2-CG 4.03Å; P132-A136 VanDerWaalsContact O-CB 3.25Å; P132-A136 WeakPolarHBondContact O-CB 3.49Å; P132-A136 PolarHBondContact O-N 3.33Å
133S87.5Confident74.4Confident25 Ų2566.8 Ų66.818%0.17540%0.404CS..Hα-helixtrans-70-40178.9-530000112.6R111 C131 A136 G137 S138R111-S133 PolarHBondContact NH1-OG 2.92Å; C131-S133 PolarHBondContact O-N 2.87Å; C131-S133 VanDerWaalsContact O-N 3.08Å; S133-A136 CarbonylContact O-C 3.58Å; S133-A136 PolarHBondContact O-N 3.02Å; S133-G137 PolarHBondContact O-N 2.93Å; S133-S138 WeakPolarHBondContact O-CB 3.25Å; S133-S138 PolarHBondContact O-N 3.31Å
134C87.5Confident72.2Confident21 Ų2166.9 Ų66.914%0.14240%0.403CS..Hα-helixtrans-75.5-34.2177.8-64.50000112T108 C109 L130 C131 A136 G137T108-C134 VanDerWaalsContact OG1-CB 3.29Å; T108-C134 WeakPolarHBondContact OG1-CB 3.43Å; T108-C134 PolarHBondContact OG1-SG 2.72Å; T108-C134 VanDerWaalsContact OG1-SG 3.35Å; C109-C134 PolarHBondContact SG-SG 2.87Å; L130-C134 HydrophobicContact CD1-CB 3.47Å; L130-C134 VanDerWaalsContact CD1-CB 3.47Å; L130-C134 HydrophobicContact CG-CB 4.04Å; C131-C134 PolarHBondContact O-N 3.38Å; C131-C134 PolarHBondContact SG-N 3.26Å; C131-C134 PolarHBondContact SG-SG 2.89Å; C134-A136 VanDerWaalsContact C-N 3.27Å; C134-A136 PolarHBondContact O-N 3.46Å; C134-G137 PolarHBondContact O-N 3.22Å; C134-G137 VanDerWaalsContact O-N 3.08Å
135Q86.2Confident70.5Confident104 Ų10467 Ų6749%0.48642%0.416SS..Hα-helixtrans-64.2-34.3170.5-172.7173.7-0.200111.5F122 L130 C131 G137F122-Q135 VanDerWaalsContact CE2-OE1 3.28Å; L130-Q135 HydrophobicContact CD2-CB 3.98Å; L130-Q135 HydrophobicContact CD2-CG 4.43Å; L130-Q135 HydrophobicContact CG-CB 4.2Å; C131-Q135 PolarHBondContact O-N 3.44Å; Q135-G137 PolarHBondContact O-N 2.93Å
136A83.3Confident69.2Low48 Ų4865.1 Ų65.140%0.39740%0.396SS..THydrogen-bonded Turntrans-78.15.1172.800000114.4P132 S133 C134P132-A136 VanDerWaalsContact O-CB 3.25Å; P132-A136 WeakPolarHBondContact O-CB 3.49Å; P132-A136 PolarHBondContact O-N 3.33Å; S133-A136 CarbonylContact O-C 3.58Å; S133-A136 PolarHBondContact O-N 3.02Å; C134-A136 VanDerWaalsContact C-N 3.27Å; C134-A136 PolarHBondContact O-N 3.46Å
137G76.4Confident67.3Low49 Ų4969.7 Ų69.751%0.50541%0.409SS..THydrogen-bonded Turntrans85.49.6175.400000116S133 C134 Q135 K139S133-G137 PolarHBondContact O-N 2.93Å; C134-G137 PolarHBondContact O-N 3.22Å; C134-G137 VanDerWaalsContact O-N 3.08Å; Q135-G137 PolarHBondContact O-N 2.93Å; G137-K139 PolarHBondContact O-N 2.87Å
138S71.4Confident65.5Low5 Ų565.2 Ų65.24%0.03540%0.396CS..  trans-73.6109.4171.8-167.50000109.6S133S133-S138 WeakPolarHBondContact O-CB 3.25Å; S133-S138 PolarHBondContact O-N 3.31Å
139K64.3Low63.2Low160 Ų16065.1 Ų65.170%0.69641%0.405SS*.PPolyproline II helixtrans-89.4126.3169.6-70.2-178.6-178.7177.10108.7G137 M141G137-K139 PolarHBondContact O-N 2.87Å; K139-M141 PolarHBondContact O-N 3.39Å
140L55.8Low60.9Low42 Ų4270.7 Ų70.722%0.2244%0.439CS..PPolyproline II helixtrans-78.4122.7169.6-165.378.3000108.4F110 I143 D186 I189F110-L140 HydrophobicContact CD1-CD2 3.28Å; F110-L140 HydrophobicContact CE1-CD1 4.21Å; F110-L140 HydrophobicContact CE1-CD2 3.38Å; F110-L140 HydrophobicContact CE1-CG 4.44Å; L140-I143 HydrophobicContact CD2-CD1 4.26Å; L140-D186 WeakPolarHBondContact CD1-OD1 3.06Å; L140-I189 HydrophobicContact CD1-CD1 3.71Å
141M51.6Low59.6Low81 Ų8173.1 Ų73.140%0.39945%0.452SS..PPolyproline II helixtrans-71.2137.6169.4-67.9-65.5-76.700109.3K139 I143K139-M141 PolarHBondContact O-N 3.39Å; M141-I143 PolarHBondContact O-N 3.37Å; M141-I143 VanDerWaalsContact O-N 3.16Å
142T43.2Very low58.7Low134 Ų13477.8 Ų77.882%0.82247%0.474SS*.PPolyproline II helixtrans-50.6121.6175.7-54.40000109.8P144T142-P144 VanDerWaalsContact O-CD 3.32Å; T142-P144 WeakPolarHBondContact O-CD 3.48Å
143I43.3Very low58.3Low34 Ų3477 Ų7717%0.17447%0.468CS..  trans-82.3114.9-176.7-60.4177.8000108L140 M141 H161 M163L140-I143 HydrophobicContact CD2-CD1 4.26Å; M141-I143 PolarHBondContact O-N 3.37Å; M141-I143 VanDerWaalsContact O-N 3.16Å; I143-H161 HydrophobicContact CD1-CB 4.16Å; I143-M163 HydrophobicContact CD1-CE 3.74Å; I143-M163 HydrophobicContact CG1-CE 4.06Å
144P34.1Very low57.8Low89 Ų8977.1 Ų77.158%0.57847%0.466SS*.PPolyproline II helixtrans-64.8146.7168.9-17.332000109.7T142 R167T142-P144 VanDerWaalsContact O-CD 3.32Å; T142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-R167 PolarHBondContact O-NE 2.97Å; P144-R167 PolarHBondContact O-NH2 3.44Å
145G37.5Very low57.6Low69 Ų6979.3 Ų79.371%0.71147%0.472SS*.PPolyproline II helixtrans-57.7154.8-17700000115.1R167G145-R167 VanDerWaalsContact C-NH2 3.3Å; G145-R167 PolarHBondContact O-NH2 2.94Å
146P41.5Very low57.5Low54 Ų5478.6 Ų78.635%0.35146%0.464SS..PPolyproline II helixtrans-80.7155-170.432.5-35.3000115.7P162 R167P146-P162 HydrophobicContact CB-CB 4.24Å; P146-P162 HydrophobicContact CG-CB 4.08Å; P146-P162 HydrophobicContact CG-CG 4.02Å; P146-R167 VanDerWaalsContact CA-NH2 3.31Å
147D35.9Very low57.6Low145 Ų14576.9 Ų76.978%0.77545%0.449SS*.  trans-111.9147.5167.1-174.511.6000109.5
148S38.2Very low58Low97 Ų9774.8 Ų74.868%0.67843%0.426SS*.SBendtrans82.3115.916678.40000122
149S34.2Very low58.6Low113 Ų11374.6 Ų74.679%0.7943%0.425SS*.  trans28.881.2140.267.30000122.7
150V39.8Very low59.4Low128 Ų12867.3 Ų67.378%0.77639%0.394SS*.SBend-155.3144.9129.6-156.40000106E152V150-E152 VanDerWaalsContact C-N 3.28Å; V150-E152 WeakPolarHBondContact O-CA 3.32Å; V150-E152 PolarHBondContact O-N 3.21Å
151N61.8Low60.7Low98 Ų9866.6 Ų66.652%0.52439%0.39SS..  trans-2178.1-173.6-145.414.8000115.4V153 Q154N151-V153 PolarHBondContact O-N 3.04Å; N151-V153 VanDerWaalsContact O-N 3.09Å; N151-Q154 PolarHBondContact ND2-OE1 3.04Å; N151-Q154 WeakPolarHBondContact O-CB 3.34Å; N151-Q154 PolarHBondContact O-N 3.14Å
152E69.7Low62.3Low98 Ų9863.6 Ų63.646%0.45838%0.376SS..Hα-helixtrans-62.4-34.5-152-171.1-164.4134.400112.2V150 Q154 Y155 R156V150-E152 VanDerWaalsContact C-N 3.28Å; V150-E152 WeakPolarHBondContact O-CA 3.32Å; V150-E152 PolarHBondContact O-N 3.21Å; E152-Q154 PolarHBondContact O-N 3.42Å; E152-Y155 PolarHBondContact O-N 3.31Å; E152-R156 WeakPolarHBondContact O-CB 3.37Å; E152-R156 WeakPolarHBondContact O-CG 3.19Å; E152-R156 PolarHBondContact O-N 3.43Å; E152-R156 IonicContact OE1-CZ 2.9Å; E152-R156 IonicContact OE1-NE 3.13Å; E152-R156 PolarHBondContact OE1-NE 3.44Å; E152-R156 IonicContact OE1-NH2 3.38Å; E152-R156 PolarHBondContact OE1-NH2 2.9Å
153V80Confident64.4Low22 Ų2257.6 Ų57.613%0.13334%0.339CS..Hα-helixtrans-61.3-44.4179.9-171.80000111P81 I82 A84 N151 Y155 R156 L157P81-V153 WeakPolarHBondContact O-CG1 3.34Å; I82-V153 WeakPolarHBondContact O-CG2 3.29Å; A84-V153 HydrophobicContact CB-CG1 4.39Å; N151-V153 PolarHBondContact O-N 3.04Å; N151-V153 VanDerWaalsContact O-N 3.09Å; V153-Y155 VanDerWaalsContact C-N 3.35Å; V153-Y155 PolarHBondContact O-N 3.32Å; V153-R156 PolarHBondContact O-N 2.87Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 VanDerWaalsContact O-CB 3.32Å; V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 2.88Å
154Q78.7Confident66.2Low28 Ų2858.8 Ų58.813%0.13135%0.346CS..Hα-helixtrans-68.1-38.8-178.3-64.6-161.9-56.200111.8W19 K23 I80 N151 E152 L157 L158W19-Q154 HydrophobicContact CE3-CB 4.13Å; W19-Q154 HydrophobicContact CE3-CG 4.13Å; W19-Q154 VanDerWaalsContact CE3-NE2 3.34Å; W19-Q154 HydrophobicContact CH2-CB 3.93Å; W19-Q154 HydrophobicContact CH2-CG 4.3Å; W19-Q154 WeakPolarHBondContact CH2-O 3.43Å; W19-Q154 HydrophobicContact CZ3-CB 3.51Å; W19-Q154 HydrophobicContact CZ3-CG 3.94Å; K23-Q154 VanDerWaalsContact CE-NE2 3.26Å; K23-Q154 VanDerWaalsContact NZ-CD 3.34Å; K23-Q154 VanDerWaalsContact NZ-NE2 3.18Å; I80-Q154 HydrophobicContact CG2-CG 4.25Å; N151-Q154 PolarHBondContact ND2-OE1 3.04Å; N151-Q154 WeakPolarHBondContact O-CB 3.34Å; N151-Q154 PolarHBondContact O-N 3.14Å; E152-Q154 PolarHBondContact O-N 3.42Å; Q154-L157 PolarHBondContact O-N 2.88Å; Q154-L158 PolarHBondContact O-N 2.83Å
155Y83.1Confident68.4Low67 Ų6759.8 Ų59.826%0.26335%0.346SS..Hα-helixtrans-63.4-50.6173.8-176.1-96.5000110.2E152 V153 L157 L158 V159 P162 N193 V197E152-Y155 PolarHBondContact O-N 3.31Å; V153-Y155 VanDerWaalsContact C-N 3.35Å; V153-Y155 PolarHBondContact O-N 3.32Å; Y155-L157 VanDerWaalsContact C-N 3.28Å; Y155-L157 PolarHBondContact O-N 3.16Å; Y155-L158 PolarHBondContact O-N 2.89Å; Y155-V159 HydrophobicContact CD1-CB 4.34Å; Y155-V159 HydrophobicContact CD2-CG2 4.28Å; Y155-V159 HydrophobicContact CE1-CB 3.96Å; Y155-V159 HydrophobicContact CE1-CG1 3.88Å; Y155-V159 HydrophobicContact CE1-CG2 4.46Å; Y155-V159 HydrophobicContact CE2-CB 4.27Å; Y155-V159 HydrophobicContact CE2-CG2 3.87Å; Y155-V159 WeakPolarHBondContact O-CB 3.48Å; Y155-V159 PolarHBondContact O-N 3.39Å; Y155-P162 HydrophobicContact CE1-CB 3.82Å; Y155-P162 HydrophobicContact CE1-CG 3.95Å; Y155-N193 PolarHBondContact OH-ND2 2.81Å; Y155-V197 HydrophobicContact CD2-CG2 3.69Å; Y155-V197 HydrophobicContact CE2-CG2 3.83Å
156R83.1Confident70.5Confident89 Ų8958.3 Ų58.334%0.33633%0.33SS..Hα-helixtrans-63-29.4177.8-72.5-159.8-84.7143.5-10.3114A84 W92 E152 V153 L158A84-R156 HydrophobicContact CB-CB 3.65Å; A84-R156 PolarHBondContact O-NH1 3.35Å; W92-R156 VanDerWaalsContact CH2-O 3.3Å; W92-R156 WeakPolarHBondContact CH2-O 3.36Å; E152-R156 WeakPolarHBondContact O-CB 3.37Å; E152-R156 WeakPolarHBondContact O-CG 3.19Å; E152-R156 PolarHBondContact O-N 3.43Å; E152-R156 IonicContact OE1-CZ 2.9Å; E152-R156 IonicContact OE1-NE 3.13Å; E152-R156 PolarHBondContact OE1-NE 3.44Å; E152-R156 IonicContact OE1-NH2 3.38Å; E152-R156 PolarHBondContact OE1-NH2 2.9Å; V153-R156 PolarHBondContact O-N 2.87Å; R156-L158 VanDerWaalsContact C-N 3.32Å
157L85.3Confident72.4Confident13 Ų1356.8 Ų56.87%0.06832%0.317CS..Hα-helixtrans-70.8-26.6174.5-76.8171000112.5R8 W19 L64 P81 A84 W92 V153 Q154 Y155R8-L157 PolarHBondContact NH1-O 2.94Å; R8-L157 PolarHBondContact NH2-O 3.46Å; W19-L157 HydrophobicContact CH2-CB 3.76Å; W19-L157 HydrophobicContact CH2-CD1 4.07Å; W19-L157 HydrophobicContact CZ2-CB 3.96Å; W19-L157 HydrophobicContact CZ2-CD1 3.67Å; W19-L157 HydrophobicContact CZ2-CG 4.49Å; L64-L157 HydrophobicContact CD2-CB 4.12Å; P81-L157 HydrophobicContact CB-CD1 3.98Å; P81-L157 HydrophobicContact CG-CD1 3.73Å; P81-L157 HydrophobicContact CG-CD2 4.3Å; A84-L157 HydrophobicContact CB-CD2 4.33Å; A84-L157 HydrophobicContact CB-CG 4.33Å; W92-L157 WeakPolarHBondContact CH2-O 3.44Å; W92-L157 VanDerWaalsContact CZ3-O 3.28Å; W92-L157 WeakPolarHBondContact CZ3-O 3.39Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 VanDerWaalsContact O-CB 3.32Å; V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 2.88Å; Q154-L157 PolarHBondContact O-N 2.88Å; Y155-L157 VanDerWaalsContact C-N 3.28Å; Y155-L157 PolarHBondContact O-N 3.16Å
158L85.1Confident74.8Confident4 Ų450.2 Ų50.22%0.02128%0.282CS..Hα-helixtrans-100-33.8179.3-69.7179.2000113.1V15 R16 W19 W92 Y93 Q154 Y155 R156 V196V15-L158 HydrophobicContact CB-CD2 4.3Å; V15-L158 HydrophobicContact CG1-CD2 3.96Å; R16-L158 HydrophobicContact CG-CD1 4.23Å; W19-L158 HydrophobicContact CH2-CD1 4.16Å; W19-L158 HydrophobicContact CH2-CD2 4.21Å; W19-L158 HydrophobicContact CH2-CG 3.76Å; W19-L158 HydrophobicContact CZ3-CD1 3.75Å; W19-L158 HydrophobicContact CZ3-CG 3.91Å; W92-L158 VanDerWaalsContact CE3-O 3.28Å; W92-L158 VanDerWaalsContact CZ3-C 3.44Å; Y93-L158 WeakPolarHBondContact CD2-O 3.37Å; Y93-L158 HydrophobicContact CE2-CD2 4.25Å; Y93-L158 WeakPolarHBondContact CE2-O 3.34Å; Y93-L158 WeakPolarHBondContact OH-CD2 3.42Å; Q154-L158 PolarHBondContact O-N 2.83Å; Y155-L158 PolarHBondContact O-N 2.89Å; R156-L158 VanDerWaalsContact C-N 3.32Å; L158-V196 HydrophobicContact CB-CG1 3.99Å
159V85.2Confident76.8Confident2 Ų248 Ų481%0.01227%0.266CS..  trans-114.7118.4-173.3171.80000109.4Y155 H161 N193 V197Y155-V159 HydrophobicContact CD1-CB 4.34Å; Y155-V159 HydrophobicContact CD2-CG2 4.28Å; Y155-V159 HydrophobicContact CE1-CB 3.96Å; Y155-V159 HydrophobicContact CE1-CG1 3.88Å; Y155-V159 HydrophobicContact CE1-CG2 4.46Å; Y155-V159 HydrophobicContact CE2-CB 4.27Å; Y155-V159 HydrophobicContact CE2-CG2 3.87Å; Y155-V159 WeakPolarHBondContact O-CB 3.48Å; Y155-V159 PolarHBondContact O-N 3.39Å; V159-H161 WeakPolarHBondContact CG1-O 3.27Å; V159-N193 HydrophobicContact CG1-CB 4.26Å; V159-N193 VanDerWaalsContact CG1-CG 3.4Å; V159-N193 WeakPolarHBondContact CG1-ND2 3.32Å; V159-N193 VanDerWaalsContact CG1-OD1 3.26Å; V159-N193 WeakPolarHBondContact CG1-OD1 3.37Å; V159-N193 HydrophobicContact CG2-CB 4.03Å; V159-V197 HydrophobicContact CG2-CG2 3.72Å
160A81.3Confident79.2Confident7 Ų746.9 Ų46.96%0.05825%0.252CS..SBendtrans-73.5-34.6176.200000111.8W92 P162W92-A160 HydrophobicContact CE3-CB 4.39Å; W92-A160 HydrophobicContact CZ3-CB 4.24Å; A160-P162 WeakPolarHBondContact O-CD 3.35Å
161H83.1Confident81.3Confident27 Ų2741.3 Ų41.313%0.12522%0.217CC..SBendtrans-123.790.3-172.8-68.671.3000111.7N88 E89 F110 I143 V159 N193N88-H161 PolarHBondContact O-CE1 3.42Å; N88-H161 VanDerWaalsContact O-CE1 3.25Å; E89-H161 PolarHBondContact O-CE1 2.9Å; F110-H161 WeakPolarHBondContact CB-CE1 3.5Å; F110-H161 WeakPolarHBondContact CB-ND1 3.16Å; F110-H161 VanDerWaalsContact CB-NE2 3.33Å; F110-H161 WeakPolarHBondContact CB-NE2 3.44Å; F110-H161 HydrophobicContact CD1-CB 4.15Å; F110-H161 AromaticContact CD1-CD2 3.72Å; F110-H161 AromaticContact CD1-CG 3.67Å; F110-H161 HydrophobicContact CD2-CB 3.82Å; F110-H161 AromaticContact CD2-CG 3.57Å; F110-H161 AromaticContact CD2-ND1 3.43Å; F110-H161 WeakPolarHBondContact CD2-ND1 3.37Å; F110-H161 HydrophobicContact CE1-CB 4.24Å; F110-H161 HydrophobicContact CE2-CB 3.9Å; F110-H161 HydrophobicContact CG-CB 3.98Å; F110-H161 AromaticContact CG-CD2 3.68Å; F110-H161 AromaticContact CG-CE1 3.67Å; F110-H161 AromaticContact CG-CG 3.32Å; F110-H161 AromaticContact CG-ND1 3.29Å; F110-H161 VanDerWaalsContact CG-ND1 3.29Å; F110-H161 WeakPolarHBondContact CG-ND1 3.24Å; F110-H161 AromaticContact CG-NE2 3.88Å; F110-H161 HydrophobicContact CZ-CB 4.12Å; I143-H161 HydrophobicContact CD1-CB 4.16Å; V159-H161 WeakPolarHBondContact CG1-O 3.27Å; H161-N193 PolarHBondContact O-ND2 3.39Å
162P85Confident82.5Confident17 Ų1741.2 Ų41.211%0.1122%0.216CC..  trans-57.5137.9174.1-24.834.7000112P146 Y155 A160 R167P146-P162 HydrophobicContact CB-CB 4.24Å; P146-P162 HydrophobicContact CG-CB 4.08Å; P146-P162 HydrophobicContact CG-CG 4.02Å; Y155-P162 HydrophobicContact CE1-CB 3.82Å; Y155-P162 HydrophobicContact CE1-CG 3.95Å; A160-P162 WeakPolarHBondContact O-CD 3.35Å; P162-R167 PolarHBondContact O-NH1 3.48Å
163M86.6Confident83.2Confident8 Ų843.1 Ų43.14%0.03923%0.225CC..  trans-148.1140.4171.3-172.255.565.900108.5I143 R167 I168 D186 I189 I190I143-M163 HydrophobicContact CD1-CE 3.74Å; I143-M163 HydrophobicContact CG1-CE 4.06Å; M163-R167 HydrophobicContact SD-CB 4.1Å; M163-R167 HydrophobicContact SD-CG 4.01Å; M163-I168 HydrophobicContact CG-CD1 4.32Å; M163-I168 HydrophobicContact CG-CG1 4.32Å; M163-I168 HydrophobicContact SD-CD1 4.48Å; M163-I168 HydrophobicContact SD-CG1 3.86Å; M163-D186 HydrophobicContact CE-CB 4.18Å; M163-D186 HydrophobicContact CG-CB 4.3Å; M163-D186 WeakPolarHBondContact CG-O 3.13Å; M163-D186 HydrophobicContact SD-CB 4.21Å; M163-I189 HydrophobicContact CB-CB 3.86Å; M163-I189 HydrophobicContact CB-CG2 3.67Å; M163-I189 HydrophobicContact CE-CD1 4.22Å; M163-I189 HydrophobicContact CG-CB 4.2Å; M163-I190 HydrophobicContact CB-CG1 4.1Å; M163-I190 HydrophobicContact CG-CD1 4.34Å; M163-I190 HydrophobicContact CG-CG1 3.78Å
164D81.6Confident83.6Confident60 Ų6046.4 Ų46.432%0.32125%0.245SC..  trans-150.1167.6-178.961.169.7000109.9G166 R167 I168D164-G166 VanDerWaalsContact C-N 3.26Å; D164-G166 PolarHBondContact O-N 3.48Å; D164-G166 VanDerWaalsContact OD1-CA 3.3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.3Å; D164-G166 PolarHBondContact OD1-N 2.89Å; D164-R167 PolarHBondContact O-N 3.38Å; D164-R167 PolarHBondContact OD1-N 3.35Å; D164-I168 WeakPolarHBondContact O-CG1 3.21Å; D164-I168 PolarHBondContact O-N 2.92Å; D164-I168 VanDerWaalsContact O-N 3.12Å
165L80.7Confident83.9Confident110 Ų11047.9 Ų47.958%0.57627%0.267SS*.Hα-helixtrans-66.6-27.5-177.2-63.7176.3000112.9I168 S169 I190L165-I168 PolarHBondContact O-N 3.35Å; L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.48Å; L165-I190 HydrophobicContact CD2-CD1 3.88Å; L165-I190 HydrophobicContact CG-CD1 4.36Å
166G80.4Confident84Confident37 Ų3747.7 Ų47.738%0.38127%0.269SS..Hα-helixtrans-64.4-50175.700000110.5D164 I168 S169 D170D164-G166 VanDerWaalsContact C-N 3.26Å; D164-G166 PolarHBondContact O-N 3.48Å; D164-G166 VanDerWaalsContact OD1-CA 3.3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.3Å; D164-G166 PolarHBondContact OD1-N 2.89Å; G166-I168 VanDerWaalsContact C-N 3.32Å; G166-I168 PolarHBondContact O-N 2.86Å; G166-S169 VanDerWaalsContact O-CB 3.32Å; G166-S169 WeakPolarHBondContact O-CB 3.49Å; G166-S169 PolarHBondContact O-N 3.13Å; G166-S169 VanDerWaalsContact O-N 3.1Å; G166-D170 VanDerWaalsContact O-CG 3.31Å; G166-D170 PolarHBondContact O-N 2.89Å
167R82.5Confident84.1Confident22 Ų2244.9 Ų44.98%0.08326%0.259CS..Hα-helixtrans-61.1-39.4175.7-176.1173-71.4131.612.5112.5P144 G145 P146 P162 M163 D164 S169 D170 K171P144-R167 PolarHBondContact O-NE 2.97Å; P144-R167 PolarHBondContact O-NH2 3.44Å; G145-R167 VanDerWaalsContact C-NH2 3.3Å; G145-R167 PolarHBondContact O-NH2 2.94Å; P146-R167 VanDerWaalsContact CA-NH2 3.31Å; P162-R167 PolarHBondContact O-NH1 3.48Å; M163-R167 HydrophobicContact SD-CB 4.1Å; M163-R167 HydrophobicContact SD-CG 4.01Å; D164-R167 PolarHBondContact O-N 3.38Å; D164-R167 PolarHBondContact OD1-N 3.35Å; R167-S169 VanDerWaalsContact C-N 3.34Å; R167-D170 PolarHBondContact O-N 3.4Å; R167-K171 HydrophobicContact CG-CD 4.35Å; R167-K171 WeakPolarHBondContact O-CB 3.48Å; R167-K171 VanDerWaalsContact O-CG 3.28Å; R167-K171 WeakPolarHBondContact O-CG 3.37Å; R167-K171 PolarHBondContact O-N 2.87Å
168I84.7Confident84.1Confident7 Ų749.2 Ų49.24%0.03629%0.29CS..Hα-helixtrans-63.7-42.4175.3-67.7-179.3000110.7M163 D164 L165 G166 K171 L172 Y177 F183 D186 V187 I190M163-I168 HydrophobicContact CG-CD1 4.32Å; M163-I168 HydrophobicContact CG-CG1 4.32Å; M163-I168 HydrophobicContact SD-CD1 4.48Å; M163-I168 HydrophobicContact SD-CG1 3.86Å; D164-I168 WeakPolarHBondContact O-CG1 3.21Å; D164-I168 PolarHBondContact O-N 2.92Å; D164-I168 VanDerWaalsContact O-N 3.12Å; L165-I168 PolarHBondContact O-N 3.35Å; G166-I168 VanDerWaalsContact C-N 3.32Å; G166-I168 PolarHBondContact O-N 2.86Å; I168-K171 PolarHBondContact O-N 3.03Å; I168-L172 HydrophobicContact CG2-CD1 4.13Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 2.9Å; I168-Y177 HydrophobicContact CG2-CE2 4.43Å; I168-F183 HydrophobicContact CG2-CD2 3.83Å; I168-F183 HydrophobicContact CG2-CE2 3.45Å; I168-F183 VanDerWaalsContact CG2-CE2 3.45Å; I168-D186 HydrophobicContact CD1-CB 4.05Å; I168-D186 HydrophobicContact CG1-CB 4.1Å; I168-V187 HydrophobicContact CD1-CG2 3.97Å; I168-I190 HydrophobicContact CD1-CD1 3.52Å; I168-I190 HydrophobicContact CD1-CG1 4.38Å
169S81.5Confident84Confident50 Ų5052.2 Ų52.235%0.3531%0.306SS..Hα-helixtrans-59-49.6175.2-163.60000111.3L165 G166 R167 K171 L172 E173L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.48Å; G166-S169 VanDerWaalsContact O-CB 3.32Å; G166-S169 WeakPolarHBondContact O-CB 3.49Å; G166-S169 PolarHBondContact O-N 3.13Å; G166-S169 VanDerWaalsContact O-N 3.1Å; R167-S169 VanDerWaalsContact C-N 3.34Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.47Å; S169-L172 WeakPolarHBondContact O-CB 3.3Å; S169-L172 PolarHBondContact O-N 3.02Å; S169-L172 VanDerWaalsContact O-N 3.1Å; S169-E173 WeakPolarHBondContact O-CG 3.49Å; S169-E173 PolarHBondContact O-N 3.49Å; S169-E173 PolarHBondContact OG-OE1 3.21Å
170D83.3Confident84.1Confident90 Ų9055.3 Ų55.348%0.48133%0.325SS..Hα-helixtrans-59.8-42.3178.8-64.2-19.5000111.4G166 R167 L172 E173 T174G166-D170 VanDerWaalsContact O-CG 3.31Å; G166-D170 PolarHBondContact O-N 2.89Å; R167-D170 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact C-N 3.33Å; D170-L172 PolarHBondContact O-N 3.43Å; D170-E173 PolarHBondContact O-N 3.25Å; D170-T174 WeakPolarHBondContact O-CB 3.19Å; D170-T174 WeakPolarHBondContact O-CG2 3.32Å; D170-T174 PolarHBondContact O-N 2.87Å; D170-T174 PolarHBondContact O-OG1 3.21Å
171K85.7Confident84.3Confident11 Ų1161.8 Ų61.85%0.04835%0.348CS..Hα-helixtrans-64.8-36176.9-75.6-176.268175.70112.6R167 I168 S169 G175 Q176 Y177 D186R167-K171 HydrophobicContact CG-CD 4.35Å; R167-K171 WeakPolarHBondContact O-CB 3.48Å; R167-K171 VanDerWaalsContact O-CG 3.28Å; R167-K171 WeakPolarHBondContact O-CG 3.37Å; R167-K171 PolarHBondContact O-N 2.87Å; I168-K171 PolarHBondContact O-N 3.03Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.47Å; K171-G175 PolarHBondContact O-N 3.09Å; K171-Q176 HydrophobicContact CB-CB 4.03Å; K171-Q176 HydrophobicContact CG-CB 4.1Å; K171-Q176 PolarHBondContact O-N 2.6Å; K171-Y177 HydrophobicContact CB-CD2 4.02Å; K171-Y177 HydrophobicContact CB-CE2 3.39Å; K171-Y177 HydrophobicContact CD-CE1 4.27Å; K171-Y177 HydrophobicContact CD-CE2 4.47Å; K171-Y177 VanDerWaalsContact CE-CE1 3.42Å; K171-D186 WeakPolarHBondContact CE-OD2 3.34Å; K171-D186 IonicContact NZ-OD1 3.78Å; K171-D186 IonicContact NZ-OD2 2.65Å; K171-D186 PolarHBondContact NZ-OD2 2.97Å
172L85.1Confident84.4Confident97 Ų9761.2 Ų61.251%0.50835%0.345SS..Hα-helixtrans-66.7-48.4173.6-76165.2000111I168 S169 D170 T174 G175 Y177 F183I168-L172 HydrophobicContact CG2-CD1 4.13Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 2.9Å; S169-L172 WeakPolarHBondContact O-CB 3.3Å; S169-L172 PolarHBondContact O-N 3.02Å; S169-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 VanDerWaalsContact C-N 3.33Å; D170-L172 PolarHBondContact O-N 3.43Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 3.26Å; L172-G175 PolarHBondContact O-N 3.41Å; L172-Y177 HydrophobicContact CD2-CD2 3.83Å; L172-Y177 HydrophobicContact CD2-CE2 4.21Å; L172-Y177 HydrophobicContact CG-CD2 4.01Å; L172-Y177 HydrophobicContact CG-CE2 3.96Å; L172-F183 HydrophobicContact CD1-CD2 4.32Å; L172-F183 HydrophobicContact CD1-CE2 3.97Å; L172-F183 HydrophobicContact CD2-CD2 4.18Å; L172-F183 HydrophobicContact CG-CD2 4.4Å
173E85.6Confident84.6Confident138 Ų13862.4 Ų62.465%0.64535%0.349SS*.Hα-helixtrans-63.6-38.8-179-72177.3-16400112.6S169 D170 G175S169-E173 WeakPolarHBondContact O-CG 3.49Å; S169-E173 PolarHBondContact O-N 3.49Å; S169-E173 PolarHBondContact OG-OE1 3.21Å; D170-E173 PolarHBondContact O-N 3.25Å; E173-G175 VanDerWaalsContact C-N 3.3Å
174T88.2Confident84.7Confident91 Ų9163.4 Ų63.456%0.55835%0.354SS*.THydrogen-bonded Turntrans-85.20.1178.956.30000113.7D170 L172 Q176D170-T174 WeakPolarHBondContact O-CB 3.19Å; D170-T174 WeakPolarHBondContact O-CG2 3.32Å; D170-T174 PolarHBondContact O-N 2.87Å; D170-T174 PolarHBondContact O-OG1 3.21Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 3.26Å; T174-Q176 VanDerWaalsContact C-N 3.32Å; T174-Q176 PolarHBondContact O-N 2.85Å; T174-Q176 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q176 PolarHBondContact OG1-NE2 3.41Å
175G85.6Confident85.1Confident58 Ų5860.8 Ų60.860%0.59834%0.341SS*.THydrogen-bonded Turntrans66.230.1178.500000114.2K171 L172 E173 Y177K171-G175 PolarHBondContact O-N 3.09Å; L172-G175 PolarHBondContact O-N 3.41Å; E173-G175 VanDerWaalsContact C-N 3.3Å; G175-Y177 VanDerWaalsContact C-N 3.28Å; G175-Y177 PolarHBondContact O-N 2.9Å
176Q84Confident85.5Confident64 Ų6455.6 Ų55.630%0.29931%0.314SS..  trans-75.2-14.2-178.5-74.1-179.555.400114K171 T174K171-Q176 HydrophobicContact CB-CB 4.03Å; K171-Q176 HydrophobicContact CG-CB 4.1Å; K171-Q176 PolarHBondContact O-N 2.6Å; T174-Q176 VanDerWaalsContact C-N 3.32Å; T174-Q176 PolarHBondContact O-N 2.85Å; T174-Q176 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q176 PolarHBondContact OG1-NE2 3.41Å
177Y85.6Confident86Confident30 Ų3054.7 Ų54.712%0.11830%0.301CS..  trans-90.2119.3174-63.7-63000110.4I168 K171 L172 G175 E182 F183 D186I168-Y177 HydrophobicContact CG2-CE2 4.43Å; K171-Y177 HydrophobicContact CB-CD2 4.02Å; K171-Y177 HydrophobicContact CB-CE2 3.39Å; K171-Y177 HydrophobicContact CD-CE1 4.27Å; K171-Y177 HydrophobicContact CD-CE2 4.47Å; K171-Y177 VanDerWaalsContact CE-CE1 3.42Å; L172-Y177 HydrophobicContact CD2-CD2 3.83Å; L172-Y177 HydrophobicContact CD2-CE2 4.21Å; L172-Y177 HydrophobicContact CG-CD2 4.01Å; L172-Y177 HydrophobicContact CG-CE2 3.96Å; G175-Y177 VanDerWaalsContact C-N 3.28Å; G175-Y177 PolarHBondContact O-N 2.9Å; Y177-E182 HydrophobicContact CD1-CB 3.73Å; Y177-E182 HydrophobicContact CE1-CB 4.41Å; Y177-E182 WeakPolarHBondContact CE1-O 3.25Å; Y177-F183 HydrophobicContact CD1-CB 4.09Å; Y177-F183 HydrophobicContact CD2-CB 4.2Å; Y177-F183 HydrophobicContact CD2-CD2 4.38Å; Y177-F183 VanDerWaalsContact CE1-CA 3.49Å; Y177-F183 HydrophobicContact CE1-CB 4.22Å; Y177-F183 HydrophobicContact CE2-CB 4.32Å; Y177-F183 AromaticContact CE2-CD2 3.95Å; Y177-F183 HydrophobicContact CE2-CD2 3.95Å; Y177-F183 HydrophobicContact CG-CB 4.07Å; Y177-D186 HydrophobicContact CE1-CB 4.39Å; Y177-D186 VanDerWaalsContact CE1-OD2 3.23Å; Y177-D186 WeakPolarHBondContact CE1-OD2 3.32Å; Y177-D186 VanDerWaalsContact CZ-OD2 3.27Å; Y177-D186 WeakPolarHBondContact OH-CB 3.44Å; Y177-D186 PolarHBondContact OH-OD2 2.96Å
178S85Confident86.4Confident104 Ų10456.3 Ų56.373%0.72731%0.309SS*.SBendtrans-82.1-20.8176.6-57.80000112.2E182S178-E182 PolarHBondContact N-OE2 2.87Å
179N83.2Confident86.8Confident67 Ų6756 Ų5636%0.35831%0.307SS..SBendtrans-157.8163.4-178.357.970.8000110.8R181 E182N179-R181 PolarHBondContact O-N 3.39Å; N179-R181 WeakPolarHBondContact OD1-CA 3.49Å; N179-R181 WeakPolarHBondContact OD1-CB 3.49Å; N179-R181 PolarHBondContact OD1-N 3.42Å; N179-R181 VanDerWaalsContact OD1-N 3.13Å; N179-E182 PolarHBondContact ND2-OE1 3.26Å; N179-E182 VanDerWaalsContact ND2-OE1 3.12Å; N179-E182 PolarHBondContact O-N 3.36Å; N179-E182 WeakPolarHBondContact OD1-CG 3.3Å; N179-E182 PolarHBondContact OD1-N 3.41Å
180V87.4Confident87.1Confident67 Ų6755.1 Ų55.141%0.40630%0.299SS..Hα-helixtrans-63.5-27.1-178.7-179.60000112.5E182 F183 L184 I219V180-E182 VanDerWaalsContact C-N 3.35Å; V180-E182 PolarHBondContact O-N 2.9Å; V180-F183 PolarHBondContact O-N 3.39Å; V180-L184 HydrophobicContact CG1-CD1 4.29Å; V180-L184 HydrophobicContact CG1-CG 4.42Å; V180-L184 PolarHBondContact O-N 3.4Å; V180-I219 HydrophobicContact CG1-CB 4.32Å; V180-I219 HydrophobicContact CG1-CD1 3.47Å; V180-I219 VanDerWaalsContact CG1-CD1 3.47Å; V180-I219 HydrophobicContact CG1-CG1 3.74Å; V180-I219 HydrophobicContact CG1-CG2 3.62Å
181R85.4Confident87.3Confident143 Ų14352.2 Ų52.254%0.5428%0.283SS..Hα-helixtrans-64.1-40178.3-16987.471.2132.64.9111.6N179 L184 S185N179-R181 PolarHBondContact O-N 3.39Å; N179-R181 WeakPolarHBondContact OD1-CA 3.49Å; N179-R181 WeakPolarHBondContact OD1-CB 3.49Å; N179-R181 PolarHBondContact OD1-N 3.42Å; N179-R181 VanDerWaalsContact OD1-N 3.13Å; R181-L184 PolarHBondContact O-N 2.9Å; R181-S185 VanDerWaalsContact O-CB 3.27Å; R181-S185 WeakPolarHBondContact O-CB 3.3Å; R181-S185 PolarHBondContact O-N 3.18Å
182E85.8Confident87.7Confident14 Ų1451.7 Ų51.77%0.06528%0.281CS..Hα-helixtrans-66.6-39.1177.8-69.5169.9-17300111.6Y177 S178 N179 V180 S185 D186Y177-E182 HydrophobicContact CD1-CB 3.73Å; Y177-E182 HydrophobicContact CE1-CB 4.41Å; Y177-E182 WeakPolarHBondContact CE1-O 3.25Å; S178-E182 PolarHBondContact N-OE2 2.87Å; N179-E182 PolarHBondContact ND2-OE1 3.26Å; N179-E182 VanDerWaalsContact ND2-OE1 3.12Å; N179-E182 PolarHBondContact O-N 3.36Å; N179-E182 WeakPolarHBondContact OD1-CG 3.3Å; N179-E182 PolarHBondContact OD1-N 3.41Å; V180-E182 VanDerWaalsContact C-N 3.35Å; V180-E182 PolarHBondContact O-N 2.9Å; E182-S185 WeakPolarHBondContact O-CB 3.41Å; E182-S185 PolarHBondContact O-N 3.18Å; E182-D186 PolarHBondContact O-N 3.26Å
183F88.6Confident87.9Confident43 Ų4347.2 Ų47.219%0.18926%0.257CS..Hα-helixtrans-62.4-51172.5166.3-99.1000111.4I168 L172 Y177 V180 S185 D186 V187 V215 I219I168-F183 HydrophobicContact CG2-CD2 3.83Å; I168-F183 HydrophobicContact CG2-CE2 3.45Å; I168-F183 VanDerWaalsContact CG2-CE2 3.45Å; L172-F183 HydrophobicContact CD1-CD2 4.32Å; L172-F183 HydrophobicContact CD1-CE2 3.97Å; L172-F183 HydrophobicContact CD2-CD2 4.18Å; L172-F183 HydrophobicContact CG-CD2 4.4Å; Y177-F183 HydrophobicContact CD1-CB 4.09Å; Y177-F183 HydrophobicContact CD2-CB 4.2Å; Y177-F183 HydrophobicContact CD2-CD2 4.38Å; Y177-F183 VanDerWaalsContact CE1-CA 3.49Å; Y177-F183 HydrophobicContact CE1-CB 4.22Å; Y177-F183 HydrophobicContact CE2-CB 4.32Å; Y177-F183 AromaticContact CE2-CD2 3.95Å; Y177-F183 HydrophobicContact CE2-CD2 3.95Å; Y177-F183 HydrophobicContact CG-CB 4.07Å; V180-F183 PolarHBondContact O-N 3.39Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 2.88Å; F183-D186 PolarHBondContact O-N 3.45Å; F183-D186 VanDerWaalsContact O-N 3.09Å; F183-V187 HydrophobicContact CE1-CG2 4.1Å; F183-V187 HydrophobicContact CE2-CG2 4.18Å; F183-V187 HydrophobicContact CZ-CG2 3.9Å; F183-V187 PolarHBondContact O-N 2.99Å; F183-V187 VanDerWaalsContact O-N 3.15Å; F183-V215 HydrophobicContact CE1-CG1 3.71Å; F183-V215 HydrophobicContact CZ-CG1 4.38Å; F183-I219 HydrophobicContact CD1-CD1 4.23Å; F183-I219 HydrophobicContact CE1-CD1 4.22Å
184L88.4Confident87.9Confident28 Ų2841.6 Ų41.615%0.14723%0.232CC..Hα-helixtrans-57-41.7175.7-83.5174.3000112.1V180 R181 D186 V187 E188 V215 K216 I219V180-L184 HydrophobicContact CG1-CD1 4.29Å; V180-L184 HydrophobicContact CG1-CG 4.42Å; V180-L184 PolarHBondContact O-N 3.4Å; R181-L184 PolarHBondContact O-N 2.9Å; L184-D186 PolarHBondContact O-N 3.45Å; L184-V187 PolarHBondContact O-N 2.91Å; L184-V187 VanDerWaalsContact O-N 3.16Å; L184-E188 WeakPolarHBondContact O-CG 3.5Å; L184-E188 PolarHBondContact O-N 2.93Å; L184-V215 HydrophobicContact CD2-CG1 3.73Å; L184-K216 HydrophobicContact CD2-CG 4.22Å; L184-I219 HydrophobicContact CD1-CD1 3.8Å; L184-I219 HydrophobicContact CD2-CD1 3.48Å; L184-I219 VanDerWaalsContact CD2-CD1 3.48Å; L184-I219 HydrophobicContact CG-CD1 3.51Å
185S89.5Confident87.9Confident6 Ų637.8 Ų37.84%0.04221%0.208CC..Hα-helixtrans-56.6-40.5177.6169.60000111.2R111 R181 E182 F183 E188 I189R111-S185 PolarHBondContact NH2-O 2.66Å; R111-S185 PolarHBondContact NH2-OG 2.96Å; R181-S185 VanDerWaalsContact O-CB 3.27Å; R181-S185 WeakPolarHBondContact O-CB 3.3Å; R181-S185 PolarHBondContact O-N 3.18Å; E182-S185 WeakPolarHBondContact O-CB 3.41Å; E182-S185 PolarHBondContact O-N 3.18Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 2.88Å; S185-E188 WeakPolarHBondContact O-CB 3.48Å; S185-E188 PolarHBondContact O-N 3.39Å; S185-I189 WeakPolarHBondContact O-CG1 3.34Å; S185-I189 PolarHBondContact O-N 3.25Å
186D89.8Confident88.1Confident1 Ų135 Ų351%0.00518%0.18CC..Hα-helixtrans-71.1-38.4177.1-78.60.3000112.9L140 M163 I168 K171 Y177 E182 F183 L184 E188 I189 I190L140-D186 WeakPolarHBondContact CD1-OD1 3.06Å; M163-D186 HydrophobicContact CE-CB 4.18Å; M163-D186 HydrophobicContact CG-CB 4.3Å; M163-D186 WeakPolarHBondContact CG-O 3.13Å; M163-D186 HydrophobicContact SD-CB 4.21Å; I168-D186 HydrophobicContact CD1-CB 4.05Å; I168-D186 HydrophobicContact CG1-CB 4.1Å; K171-D186 WeakPolarHBondContact CE-OD2 3.34Å; K171-D186 IonicContact NZ-OD1 3.78Å; K171-D186 IonicContact NZ-OD2 2.65Å; K171-D186 PolarHBondContact NZ-OD2 2.97Å; Y177-D186 HydrophobicContact CE1-CB 4.39Å; Y177-D186 VanDerWaalsContact CE1-OD2 3.23Å; Y177-D186 WeakPolarHBondContact CE1-OD2 3.32Å; Y177-D186 VanDerWaalsContact CZ-OD2 3.27Å; Y177-D186 WeakPolarHBondContact OH-CB 3.44Å; Y177-D186 PolarHBondContact OH-OD2 2.96Å; E182-D186 PolarHBondContact O-N 3.26Å; F183-D186 PolarHBondContact O-N 3.45Å; F183-D186 VanDerWaalsContact O-N 3.09Å; L184-D186 PolarHBondContact O-N 3.45Å; D186-E188 VanDerWaalsContact C-N 3.29Å; D186-E188 PolarHBondContact O-N 2.99Å; D186-I189 VanDerWaalsContact O-CB 3.31Å; D186-I189 WeakPolarHBondContact O-CB 3.41Å; D186-I189 PolarHBondContact O-N 3.38Å; D186-I189 VanDerWaalsContact O-N 3.08Å; D186-I190 PolarHBondContact O-N 3.28Å
187V90.1Very high88.1Confident18 Ų1833.3 Ų33.311%0.10917%0.174CC..Hα-helixtrans-62.6-38.5173.9-175.30000110.7I168 F183 L184 I189 I190 L191 L212I168-V187 HydrophobicContact CD1-CG2 3.97Å; F183-V187 HydrophobicContact CE1-CG2 4.1Å; F183-V187 HydrophobicContact CE2-CG2 4.18Å; F183-V187 HydrophobicContact CZ-CG2 3.9Å; F183-V187 PolarHBondContact O-N 2.99Å; F183-V187 VanDerWaalsContact O-N 3.15Å; L184-V187 PolarHBondContact O-N 2.91Å; L184-V187 VanDerWaalsContact O-N 3.16Å; V187-I189 VanDerWaalsContact C-N 3.26Å; V187-I189 PolarHBondContact O-N 3.2Å; V187-I190 WeakPolarHBondContact O-CB 2.98Å; V187-I190 PolarHBondContact O-N 3.24Å; V187-I190 VanDerWaalsContact O-N 3.16Å; V187-L191 PolarHBondContact O-N 2.93Å; V187-L212 HydrophobicContact CB-CD1 4.18Å; V187-L212 HydrophobicContact CG1-CD1 3.67Å
188E92.4Very high87.8Confident55 Ų5536.7 Ų36.726%0.25719%0.189SC..Hα-helixtrans-61.7-32.5173.2-69.7172.417100112.5F95 R111 L184 S185 D186 I190 L191 H192 L212F95-E188 HydrophobicContact CE1-CB 4.25Å; F95-E188 HydrophobicContact CZ-CB 3.94Å; R111-E188 IonicContact CZ-OE2 3.52Å; R111-E188 IonicContact NH1-OE2 3.08Å; R111-E188 PolarHBondContact NH1-OE2 3.26Å; R111-E188 VanDerWaalsContact NH1-OE2 3.08Å; R111-E188 IonicContact NH2-OE2 2.94Å; R111-E188 PolarHBondContact NH2-OE2 2.77Å; L184-E188 WeakPolarHBondContact O-CG 3.5Å; L184-E188 PolarHBondContact O-N 2.93Å; S185-E188 WeakPolarHBondContact O-CB 3.48Å; S185-E188 PolarHBondContact O-N 3.39Å; D186-E188 VanDerWaalsContact C-N 3.29Å; D186-E188 PolarHBondContact O-N 2.99Å; E188-I190 VanDerWaalsContact C-N 3.32Å; E188-L191 PolarHBondContact O-N 3.49Å; E188-H192 WeakPolarHBondContact O-CB 3.29Å; E188-H192 PolarHBondContact O-N 2.97Å; E188-L212 HydrophobicContact CG-CD1 4.35Å; E188-L212 HydrophobicContact CG-CD2 4.36Å
189I92.1Very high87.7Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-63.6-41.6175.4-49.6-176.3000110.1F110 L140 M163 S185 D186 V187 L191 H192 N193F110-I189 HydrophobicContact CE1-CD1 3.58Å; F110-I189 HydrophobicContact CE1-CG1 4.22Å; F110-I189 HydrophobicContact CE2-CG2 4.45Å; F110-I189 HydrophobicContact CZ-CB 4.4Å; F110-I189 HydrophobicContact CZ-CD1 3.56Å; F110-I189 HydrophobicContact CZ-CG1 3.72Å; F110-I189 HydrophobicContact CZ-CG2 3.91Å; L140-I189 HydrophobicContact CD1-CD1 3.71Å; M163-I189 HydrophobicContact CB-CB 3.86Å; M163-I189 HydrophobicContact CB-CG2 3.67Å; M163-I189 HydrophobicContact CE-CD1 4.22Å; M163-I189 HydrophobicContact CG-CB 4.2Å; S185-I189 WeakPolarHBondContact O-CG1 3.34Å; S185-I189 PolarHBondContact O-N 3.25Å; D186-I189 VanDerWaalsContact O-CB 3.31Å; D186-I189 WeakPolarHBondContact O-CB 3.41Å; D186-I189 PolarHBondContact O-N 3.38Å; D186-I189 VanDerWaalsContact O-N 3.08Å; V187-I189 VanDerWaalsContact C-N 3.26Å; V187-I189 PolarHBondContact O-N 3.2Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.94Å; I189-H192 PolarHBondContact O-N 3.09Å; I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 PolarHBondContact O-N 3.16Å; I189-N193 PolarHBondContact O-ND2 3.38Å; I189-N193 PolarHBondContact O-OD1 3.13Å
190I87.4Confident87.9Confident33 Ų3335.5 Ų35.517%0.16917%0.17CC..Hα-helixtrans-58.4-49.3177-61.5179.4000109.6M163 L165 I168 D186 V187 E188 H192 N193 V194M163-I190 HydrophobicContact CB-CG1 4.1Å; M163-I190 HydrophobicContact CG-CD1 4.34Å; M163-I190 HydrophobicContact CG-CG1 3.78Å; L165-I190 HydrophobicContact CD2-CD1 3.88Å; L165-I190 HydrophobicContact CG-CD1 4.36Å; I168-I190 HydrophobicContact CD1-CD1 3.52Å; I168-I190 HydrophobicContact CD1-CG1 4.38Å; D186-I190 PolarHBondContact O-N 3.28Å; V187-I190 WeakPolarHBondContact O-CB 2.98Å; V187-I190 PolarHBondContact O-N 3.24Å; V187-I190 VanDerWaalsContact O-N 3.16Å; E188-I190 VanDerWaalsContact C-N 3.32Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 2.88Å; I190-N193 PolarHBondContact O-N 3.07Å; I190-V194 HydrophobicContact CG2-CG2 4.24Å; I190-V194 WeakPolarHBondContact O-CB 3.45Å; I190-V194 WeakPolarHBondContact O-CG2 3.19Å; I190-V194 PolarHBondContact O-N 2.69Å
191L89.2Confident87.7Confident28 Ų2838.4 Ų38.415%0.14718%0.183CC..Hα-helixtrans-60.5-42.5178.1177.560.4000112.1V187 E188 I189 V194 N195 A208 E209 L212V187-L191 PolarHBondContact O-N 2.93Å; E188-L191 PolarHBondContact O-N 3.49Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.94Å; L191-V194 PolarHBondContact O-N 2.83Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.21Å; L191-N195 PolarHBondContact O-N 2.67Å; L191-N195 PolarHBondContact O-ND2 3.04Å; L191-A208 HydrophobicContact CD1-CB 3.71Å; L191-E209 HydrophobicContact CD1-CG 3.68Å; L191-E209 HydrophobicContact CD2-CG 4.3Å; L191-L212 HydrophobicContact CB-CD2 4.45Å; L191-L212 HydrophobicContact CD2-CD2 3.42Å; L191-L212 VanDerWaalsContact CD2-CD2 3.42Å
192H92.8Very high87.4Confident1 Ų132.8 Ų32.81%0.00517%0.166CC..Hα-helixtrans-59.5-52.1176.7176.281.3000111.8D91 C94 F95 H98 E188 I189 I190 V194 N195 V196D91-H192 IonicContact OD2-CD2 3.43Å; D91-H192 IonicContact OD2-NE2 2.86Å; D91-H192 PolarHBondContact OD2-NE2 3.21Å; C94-H192 PolarHBondContact O-CE1 3.49Å; C94-H192 VanDerWaalsContact O-CE1 3.29Å; F95-H192 WeakPolarHBondContact CA-ND1 3.37Å; F95-H192 HydrophobicContact CD2-CB 4.12Å; F95-H192 AromaticContact CD2-CG 3.74Å; F95-H192 AromaticContact CD2-ND1 3.71Å; F95-H192 HydrophobicContact CE2-CB 3.75Å; F95-H192 AromaticContact CE2-CG 3.85Å; F95-H192 HydrophobicContact CZ-CB 4.28Å; F95-H192 PolarHBondContact O-ND1 2.9Å; H98-H192 AromaticContact CE1-ND1 3.48Å; H98-H192 PolarHBondContact CE1-ND1 3Å; H98-H192 AromaticContact ND1-CE1 3.6Å; H98-H192 AromaticContact ND1-CG 3.68Å; H98-H192 AromaticContact ND1-ND1 2.9Å; H98-H192 PolarHBondContact ND1-ND1 3.15Å; E188-H192 WeakPolarHBondContact O-CB 3.29Å; E188-H192 PolarHBondContact O-N 2.97Å; I189-H192 PolarHBondContact O-N 3.09Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 2.88Å; H192-V194 VanDerWaalsContact C-N 3.33Å; H192-V194 PolarHBondContact O-N 3.12Å; H192-N195 WeakPolarHBondContact O-CB 3.49Å; H192-N195 PolarHBondContact O-N 2.81Å; H192-N195 VanDerWaalsContact O-N 3.15Å; H192-V196 WeakPolarHBondContact O-CG2 2.91Å; H192-V196 PolarHBondContact O-N 2.92Å
193N90.6Very high87Confident2 Ų236.7 Ų36.71%0.01120%0.195CC..Hα-helixtrans-62.1-41.6-179-68.5-10.4000111.4Y155 V159 H161 I189 I190 N195 V196 V197Y155-N193 PolarHBondContact OH-ND2 2.81Å; V159-N193 HydrophobicContact CG1-CB 4.26Å; V159-N193 VanDerWaalsContact CG1-CG 3.4Å; V159-N193 WeakPolarHBondContact CG1-ND2 3.32Å; V159-N193 VanDerWaalsContact CG1-OD1 3.26Å; V159-N193 WeakPolarHBondContact CG1-OD1 3.37Å; V159-N193 HydrophobicContact CG2-CB 4.03Å; H161-N193 PolarHBondContact O-ND2 3.39Å; I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 PolarHBondContact O-N 3.16Å; I189-N193 PolarHBondContact O-ND2 3.38Å; I189-N193 PolarHBondContact O-OD1 3.13Å; I190-N193 PolarHBondContact O-N 3.07Å; N193-N195 VanDerWaalsContact C-N 3.34Å; N193-N195 PolarHBondContact O-N 3Å; N193-V196 PolarHBondContact O-N 3.5Å; N193-V197 WeakPolarHBondContact O-CB 3.34Å; N193-V197 VanDerWaalsContact O-CG2 3.24Å; N193-V197 WeakPolarHBondContact O-CG2 3.22Å; N193-V197 PolarHBondContact O-N 2.84Å
194V83.9Confident86.5Confident20 Ų2038.8 Ų38.812%0.12121%0.207CC..Hα-helixtrans-61.9-42175.91680000110.8I190 L191 H192 V197 F198 M204 V205 A208I190-V194 HydrophobicContact CG2-CG2 4.24Å; I190-V194 WeakPolarHBondContact O-CB 3.45Å; I190-V194 WeakPolarHBondContact O-CG2 3.19Å; I190-V194 PolarHBondContact O-N 2.69Å; L191-V194 PolarHBondContact O-N 2.83Å; H192-V194 VanDerWaalsContact C-N 3.33Å; H192-V194 PolarHBondContact O-N 3.12Å; V194-V197 PolarHBondContact O-N 3.49Å; V194-F198 HydrophobicContact CB-CD2 4.26Å; V194-F198 HydrophobicContact CG1-CD2 3.82Å; V194-F198 HydrophobicContact CG1-CE2 4.47Å; V194-F198 HydrophobicContact CG2-CD2 4.47Å; V194-F198 HydrophobicContact CG2-CE2 4.42Å; V194-F198 WeakPolarHBondContact O-CB 3.4Å; V194-F198 WeakPolarHBondContact O-CD2 3.43Å; V194-F198 PolarHBondContact O-N 2.93Å; V194-M204 HydrophobicContact CG1-CB 4.08Å; V194-M204 HydrophobicContact CG1-CG 3.65Å; V194-V205 HydrophobicContact CG1-CB 4.46Å; V194-V205 HydrophobicContact CG1-CG2 3.8Å; V194-A208 HydrophobicContact CB-CB 4.42Å; V194-A208 HydrophobicContact CG1-CB 4.1Å
195N89.2Confident86.1Confident11 Ų1137.5 Ų37.56%0.05920%0.2CC..Hα-helixtrans-61.6-45.2175.4-93.5-75.8000112.8H98 L191 H192 N193 G199 K200 V205H98-N195 HydrophobicContact CB-CB 3.79Å; H98-N195 VanDerWaalsContact CD2-CB 3.41Å; H98-N195 WeakPolarHBondContact CD2-CB 3.35Å; H98-N195 VanDerWaalsContact CD2-CG 3.41Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.21Å; L191-N195 PolarHBondContact O-N 2.67Å; L191-N195 PolarHBondContact O-ND2 3.04Å; H192-N195 WeakPolarHBondContact O-CB 3.49Å; H192-N195 PolarHBondContact O-N 2.81Å; H192-N195 VanDerWaalsContact O-N 3.15Å; N193-N195 VanDerWaalsContact C-N 3.34Å; N193-N195 PolarHBondContact O-N 3Å; N195-G199 WeakPolarHBondContact O-CA 3.49Å; N195-G199 PolarHBondContact O-N 3.41Å; N195-K200 WeakPolarHBondContact OD1-CA 3.42Å; N195-V205 HydrophobicContact CB-CG2 4.28Å; N195-V205 WeakPolarHBondContact OD1-CG1 3.34Å; N195-V205 WeakPolarHBondContact OD1-CG2 3.29Å
196V89Confident85.7Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-62.9-46.3178.4173.20000110.9P12 R16 Y93 H98 L158 H192 N193P12-V196 HydrophobicContact CB-CG1 4.22Å; P12-V196 WeakPolarHBondContact CB-O 3.37Å; P12-V196 HydrophobicContact CG-CG1 4.34Å; R16-V196 PolarHBondContact NE-O 3Å; Y93-V196 HydrophobicContact CD2-CB 4.39Å; Y93-V196 HydrophobicContact CD2-CG1 3.48Å; Y93-V196 VanDerWaalsContact CD2-CG1 3.48Å; Y93-V196 HydrophobicContact CD2-CG2 3.93Å; Y93-V196 HydrophobicContact CE2-CG1 3.57Å; Y93-V196 HydrophobicContact CG-CG1 4.26Å; Y93-V196 HydrophobicContact CG-CG2 4.13Å; H98-V196 HydrophobicContact CB-CG2 4.16Å; L158-V196 HydrophobicContact CB-CG1 3.99Å; H192-V196 WeakPolarHBondContact O-CG2 2.91Å; H192-V196 PolarHBondContact O-N 2.92Å; N193-V196 PolarHBondContact O-N 3.5Å
197V84.9Confident85.1Confident29 Ų2947.8 Ų47.818%0.17625%0.251CS..Hα-helixtrans-80-33.6-171.9174.40000113.4R16 Y155 V159 N193 V194R16-V197 WeakPolarHBondContact CD-O 3.29Å; R16-V197 PolarHBondContact NE-O 3.46Å; Y155-V197 HydrophobicContact CD2-CG2 3.69Å; Y155-V197 HydrophobicContact CE2-CG2 3.83Å; V159-V197 HydrophobicContact CG2-CG2 3.72Å; N193-V197 WeakPolarHBondContact O-CB 3.34Å; N193-V197 VanDerWaalsContact O-CG2 3.24Å; N193-V197 WeakPolarHBondContact O-CG2 3.22Å; N193-V197 PolarHBondContact O-N 2.84Å; V194-V197 PolarHBondContact O-N 3.49Å
198F79.3Confident84.6Confident100 Ų10047.8 Ų47.844%0.43925%0.254SS..Hα-helixtrans-110.3-18.4-175.8-60-77.6000113.6V194 S202 M204V194-F198 HydrophobicContact CB-CD2 4.26Å; V194-F198 HydrophobicContact CG1-CD2 3.82Å; V194-F198 HydrophobicContact CG1-CE2 4.47Å; V194-F198 HydrophobicContact CG2-CD2 4.47Å; V194-F198 HydrophobicContact CG2-CE2 4.42Å; V194-F198 WeakPolarHBondContact O-CB 3.4Å; V194-F198 WeakPolarHBondContact O-CD2 3.43Å; V194-F198 PolarHBondContact O-N 2.93Å; F198-S202 VanDerWaalsContact CB-OG 3.29Å; F198-S202 WeakPolarHBondContact CB-OG 3.43Å; F198-S202 WeakPolarHBondContact O-CB 3.39Å; F198-M204 HydrophobicContact CB-CB 4.31Å; F198-M204 HydrophobicContact CD2-CB 4.09Å; F198-M204 HydrophobicContact CD2-CG 3.83Å; F198-M204 HydrophobicContact CE2-CG 3.9Å; F198-M204 HydrophobicContact CG-CB 4.05Å; F198-M204 HydrophobicContact CG-CG 4.27Å; F198-M204 HydrophobicContact CZ-CG 4.4Å
199G83.8Confident84.4Confident9 Ų949.4 Ų49.49%0.09326%0.261CS..  trans83.7148.7-17500000112.9R16 N195 D201 S202 V205R16-G199 VanDerWaalsContact NH2-CA 3.3Å; N195-G199 WeakPolarHBondContact O-CA 3.49Å; N195-G199 PolarHBondContact O-N 3.41Å; G199-D201 PolarHBondContact O-N 2.91Å; G199-D201 VanDerWaalsContact O-N 3.11Å; G199-S202 VanDerWaalsContact O-CB 3.28Å; G199-S202 WeakPolarHBondContact O-CB 3.47Å; G199-S202 PolarHBondContact O-N 3.3Å; G199-S202 PolarHBondContact O-OG 3.5Å; G199-V205 WeakPolarHBondContact O-CG2 3.46Å
200K86Confident84Confident138 Ų13853.1 Ų53.160%0.629%0.287SS*.THydrogen-bonded Turntrans-55.4-32.8-171.386.8179.5-170.8178.20114.1N195 S202N195-K200 WeakPolarHBondContact OD1-CA 3.42Å; K200-S202 VanDerWaalsContact C-N 3.31Å
201D83.3Confident83.8Confident127 Ų12753.7 Ų53.768%0.67930%0.297SS*.THydrogen-bonded Turntrans-87.6-3-173.7-60.1-52.7000112.7G199G199-D201 PolarHBondContact O-N 2.91Å; G199-D201 VanDerWaalsContact O-N 3.11Å
202S80Confident83.8Confident26 Ų2652.8 Ų52.818%0.18229%0.292CS..SBendtrans-68.4150.3-178.3730000112.3F198 G199 K200 M204 V205 K206F198-S202 VanDerWaalsContact CB-OG 3.29Å; F198-S202 WeakPolarHBondContact CB-OG 3.43Å; F198-S202 WeakPolarHBondContact O-CB 3.39Å; G199-S202 VanDerWaalsContact O-CB 3.28Å; G199-S202 WeakPolarHBondContact O-CB 3.47Å; G199-S202 PolarHBondContact O-N 3.3Å; G199-S202 PolarHBondContact O-OG 3.5Å; K200-S202 VanDerWaalsContact C-N 3.31Å; S202-M204 PolarHBondContact O-N 3.3Å; S202-V205 PolarHBondContact O-N 3.48Å; S202-V205 WeakPolarHBondContact OG-CG2 3.48Å; S202-V205 PolarHBondContact OG-N 2.99Å; S202-V205 VanDerWaalsContact OG-N 3.16Å; S202-K206 PolarHBondContact O-N 3.04Å
203S76.3Confident83.6Confident95 Ų9558 Ų5866%0.66432%0.316SS*.Hα-helixtrans-61.1-28.5172.459.20000112.3K206 T207S203-K206 PolarHBondContact O-N 2.98Å; S203-T207 PolarHBondContact O-N 2.85Å; S203-T207 PolarHBondContact O-OG1 3.29Å; S203-T207 VanDerWaalsContact O-OG1 3.13Å
204M77.9Confident83.4Confident88 Ų8864.2 Ų64.243%0.43335%0.346SS..Hα-helixtrans-67.7-42.6179.6-165.265.171.900111.6V194 F198 S202 K206 T207 A208V194-M204 HydrophobicContact CG1-CB 4.08Å; V194-M204 HydrophobicContact CG1-CG 3.65Å; F198-M204 HydrophobicContact CB-CB 4.31Å; F198-M204 HydrophobicContact CD2-CB 4.09Å; F198-M204 HydrophobicContact CD2-CG 3.83Å; F198-M204 HydrophobicContact CE2-CG 3.9Å; F198-M204 HydrophobicContact CG-CB 4.05Å; F198-M204 HydrophobicContact CG-CG 4.27Å; F198-M204 HydrophobicContact CZ-CG 4.4Å; S202-M204 PolarHBondContact O-N 3.3Å; M204-K206 VanDerWaalsContact C-N 3.35Å; M204-T207 PolarHBondContact O-N 3.27Å; M204-A208 WeakPolarHBondContact O-CB 3.48Å; M204-A208 PolarHBondContact O-N 2.76Å
205V80.4Confident83.5Confident0 Ų065.1 Ų65.10%035%0.351CS..Hα-helixtrans-59.4-47.4173.7168.30000110.3V194 N195 G199 S202 T207 A208 E209V194-V205 HydrophobicContact CG1-CB 4.46Å; V194-V205 HydrophobicContact CG1-CG2 3.8Å; N195-V205 HydrophobicContact CB-CG2 4.28Å; N195-V205 WeakPolarHBondContact OD1-CG1 3.34Å; N195-V205 WeakPolarHBondContact OD1-CG2 3.29Å; G199-V205 WeakPolarHBondContact O-CG2 3.46Å; S202-V205 PolarHBondContact O-N 3.48Å; S202-V205 WeakPolarHBondContact OG-CG2 3.48Å; S202-V205 PolarHBondContact OG-N 2.99Å; S202-V205 VanDerWaalsContact OG-N 3.16Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3.38Å; V205-A208 CarbonylContact O-C 3.46Å; V205-A208 PolarHBondContact O-N 3.46Å; V205-E209 HydrophobicContact CG1-CG 4.03Å; V205-E209 WeakPolarHBondContact O-CB 3.14Å; V205-E209 WeakPolarHBondContact O-CG 3.32Å; V205-E209 PolarHBondContact O-N 3.06Å
206K80.5Confident83.5Confident131 Ų13168.3 Ų68.357%0.5736%0.364SS*.Hα-helixtrans-58.4-40.2178-63.8177.7-176.4178.10112.8S202 S203 M204 S210S202-K206 PolarHBondContact O-N 3.04Å; S203-K206 PolarHBondContact O-N 2.98Å; M204-K206 VanDerWaalsContact C-N 3.35Å; K206-S210 WeakPolarHBondContact O-CB 3.32Å; K206-S210 PolarHBondContact O-N 2.83Å
207T78.1Confident83.5Confident92 Ų9271.2 Ų71.256%0.56439%0.388SS*.Hα-helixtrans-65.3-44.3174.7-61.20000111.4S203 M204 V205 S210 A211S203-T207 PolarHBondContact O-N 2.85Å; S203-T207 PolarHBondContact O-OG1 3.29Å; S203-T207 VanDerWaalsContact O-OG1 3.13Å; M204-T207 PolarHBondContact O-N 3.27Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3.38Å; T207-S210 PolarHBondContact O-N 3.36Å; T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.86Å
208A80.4Confident83.6Confident19 Ų1972.2 Ų72.216%0.15740%0.395CS..Hα-helixtrans-66-39.9178.200000112.6L191 V194 M204 V205 A211 L212L191-A208 HydrophobicContact CD1-CB 3.71Å; V194-A208 HydrophobicContact CB-CB 4.42Å; V194-A208 HydrophobicContact CG1-CB 4.1Å; M204-A208 WeakPolarHBondContact O-CB 3.48Å; M204-A208 PolarHBondContact O-N 2.76Å; V205-A208 CarbonylContact O-C 3.46Å; V205-A208 PolarHBondContact O-N 3.46Å; A208-A211 PolarHBondContact O-N 2.88Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 2.99Å
209E87.8Confident83.9Confident88 Ų8868 Ų6841%0.41138%0.376SS..Hα-helixtrans-61.2-49.4174-72.1173.6157.100110.6L191 V205 A211 L212 E213L191-E209 HydrophobicContact CD1-CG 3.68Å; L191-E209 HydrophobicContact CD2-CG 4.3Å; V205-E209 HydrophobicContact CG1-CG 4.03Å; V205-E209 WeakPolarHBondContact O-CB 3.14Å; V205-E209 WeakPolarHBondContact O-CG 3.32Å; V205-E209 PolarHBondContact O-N 3.06Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.38Å; E209-L212 PolarHBondContact O-N 2.86Å; E209-E213 WeakPolarHBondContact O-CG 3.46Å; E209-E213 PolarHBondContact O-N 3.28Å
210S83.4Confident84.1Confident78 Ų7869.8 Ų69.855%0.54539%0.39SS..Hα-helixtrans-58.3-42.6177-172.40000111.8K206 T207 E213 E214K206-S210 WeakPolarHBondContact O-CB 3.32Å; K206-S210 PolarHBondContact O-N 2.83Å; T207-S210 PolarHBondContact O-N 3.36Å; S210-E213 PolarHBondContact O-N 2.92Å; S210-E214 WeakPolarHBondContact O-CB 3.43Å; S210-E214 PolarHBondContact O-N 3.37Å
211A83.7Confident84.1Confident46 Ų4664.8 Ų64.838%0.3837%0.373SS..Hα-helixtrans-66.2-42178.200000111.9T207 A208 E209 E213 E214 V215T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.86Å; A208-A211 PolarHBondContact O-N 2.88Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.38Å; A211-E213 PolarHBondContact O-N 2.86Å; A211-E214 PolarHBondContact O-N 2.9Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.39Å; A211-V215 PolarHBondContact O-N 3.17Å
212L88.5Confident84Confident8 Ų866.8 Ų66.84%0.04237%0.371CS..Hα-helixtrans-63.9-41.2176.9177.963000111.6V187 E188 L191 A208 E209 V215 K216V187-L212 HydrophobicContact CB-CD1 4.18Å; V187-L212 HydrophobicContact CG1-CD1 3.67Å; E188-L212 HydrophobicContact CG-CD1 4.35Å; E188-L212 HydrophobicContact CG-CD2 4.36Å; L191-L212 HydrophobicContact CB-CD2 4.45Å; L191-L212 HydrophobicContact CD2-CD2 3.42Å; L191-L212 VanDerWaalsContact CD2-CD2 3.42Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 2.99Å; E209-L212 PolarHBondContact O-N 2.86Å; L212-V215 PolarHBondContact O-N 3.45Å; L212-K216 HydrophobicContact CD1-CG 4.48Å; L212-K216 HydrophobicContact CG-CD 4.42Å; L212-K216 WeakPolarHBondContact O-CG 3.3Å; L212-K216 PolarHBondContact O-N 3.49Å
213E89.2Confident84.1Confident110 Ų11072.8 Ų72.851%0.51440%0.396SS..Hα-helixtrans-66.7-37.4177.4-69.4-54.7122.900112.2E209 S210 A211 K216 A217E209-E213 WeakPolarHBondContact O-CG 3.46Å; E209-E213 PolarHBondContact O-N 3.28Å; S210-E213 PolarHBondContact O-N 2.92Å; A211-E213 PolarHBondContact O-N 2.86Å; E213-K216 PolarHBondContact O-N 3.47Å; E213-K216 IonicContact OE1-NZ 2.77Å; E213-K216 PolarHBondContact OE1-NZ 3.03Å; E213-A217 WeakPolarHBondContact O-CB 3.39Å; E213-A217 PolarHBondContact O-N 3.5Å
214E85.4Confident84.3Confident134 Ų13473.5 Ų73.563%0.62640%0.396SS*.Hα-helixtrans-62.8-42.8172.6-175.5175.2-178.200112S210 A211 A217 T218S210-E214 WeakPolarHBondContact O-CB 3.43Å; S210-E214 PolarHBondContact O-N 3.37Å; A211-E214 PolarHBondContact O-N 2.9Å; E214-A217 PolarHBondContact O-N 3.34Å; E214-T218 WeakPolarHBondContact O-CB 3.42Å; E214-T218 PolarHBondContact O-N 2.9Å; E214-T218 PolarHBondContact O-OG1 3.47Å
215V86.5Confident83.4Confident38 Ų3872.1 Ų72.123%0.2341%0.405CS..Hα-helixtrans-61.9-47.2175.4170.30000111F183 L184 A211 L212 A217 T218 I219F183-V215 HydrophobicContact CE1-CG1 3.71Å; F183-V215 HydrophobicContact CZ-CG1 4.38Å; L184-V215 HydrophobicContact CD2-CG1 3.73Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.39Å; A211-V215 PolarHBondContact O-N 3.17Å; L212-V215 PolarHBondContact O-N 3.45Å; V215-A217 PolarHBondContact O-N 3.3Å; V215-T218 PolarHBondContact O-N 3.47Å; V215-I219 HydrophobicContact CG1-CD1 3.77Å; V215-I219 WeakPolarHBondContact O-CG1 3.39Å; V215-I219 PolarHBondContact O-N 3.34Å
216K90Very high81.8Confident78 Ų7878 Ų7834%0.33944%0.436SS..Hα-helixtrans-60.7-44.4177-73.3174.4-174.51660112L184 L212 E213 T218 I219 A220L184-K216 HydrophobicContact CD2-CG 4.22Å; L212-K216 HydrophobicContact CD1-CG 4.48Å; L212-K216 HydrophobicContact CG-CD 4.42Å; L212-K216 WeakPolarHBondContact O-CG 3.3Å; L212-K216 PolarHBondContact O-N 3.49Å; E213-K216 PolarHBondContact O-N 3.47Å; E213-K216 IonicContact OE1-NZ 2.77Å; E213-K216 PolarHBondContact OE1-NZ 3.03Å; K216-T218 VanDerWaalsContact C-N 3.33Å; K216-T218 PolarHBondContact O-N 2.9Å; K216-I219 PolarHBondContact O-N 2.96Å; K216-A220 WeakPolarHBondContact O-CB 3.48Å; K216-A220 PolarHBondContact O-N 3.45Å
217A88.5Confident79.9Confident61 Ų6176.9 Ų76.950%0.50444%0.443SS..Hα-helixtrans-63-41178.200000111.8E213 E214 V215 A220 S221E213-A217 WeakPolarHBondContact O-CB 3.39Å; E213-A217 PolarHBondContact O-N 3.5Å; E214-A217 PolarHBondContact O-N 3.34Å; V215-A217 PolarHBondContact O-N 3.3Å; A217-A220 PolarHBondContact O-N 3.49Å; A217-S221 PolarHBondContact O-N 2.91Å
218T87Confident78.1Confident51 Ų5177 Ų7731%0.31344%0.443SS..Hα-helixtrans-62.7-46.3176.7-58.30000111E214 V215 K216 A220 S221 W222E214-T218 WeakPolarHBondContact O-CB 3.42Å; E214-T218 PolarHBondContact O-N 2.9Å; E214-T218 PolarHBondContact O-OG1 3.47Å; V215-T218 PolarHBondContact O-N 3.47Å; K216-T218 VanDerWaalsContact C-N 3.33Å; K216-T218 PolarHBondContact O-N 2.9Å; T218-A220 PolarHBondContact O-N 3.35Å; T218-S221 WeakPolarHBondContact O-CB 3.37Å; T218-S221 PolarHBondContact O-N 2.82Å; T218-S221 PolarHBondContact O-OG 3.43Å; T218-W222 HydrophobicContact CG2-CD2 4.25Å; T218-W222 HydrophobicContact CG2-CH2 3.78Å; T218-W222 HydrophobicContact CG2-CZ2 3.37Å; T218-W222 HydrophobicContact CG2-CZ3 4.35Å; T218-W222 PolarHBondContact O-N 3.13Å
219I86.2Confident75.9Confident11 Ų1183.3 Ų83.36%0.05647%0.474CS..Hα-helixtrans-62.4-44.9176.8-73161.7000111.5V180 F183 L184 V215 K216 S221 W222 E223V180-I219 HydrophobicContact CG1-CB 4.32Å; V180-I219 HydrophobicContact CG1-CD1 3.47Å; V180-I219 VanDerWaalsContact CG1-CD1 3.47Å; V180-I219 HydrophobicContact CG1-CG1 3.74Å; V180-I219 HydrophobicContact CG1-CG2 3.62Å; F183-I219 HydrophobicContact CD1-CD1 4.23Å; F183-I219 HydrophobicContact CE1-CD1 4.22Å; L184-I219 HydrophobicContact CD1-CD1 3.8Å; L184-I219 HydrophobicContact CD2-CD1 3.48Å; L184-I219 VanDerWaalsContact CD2-CD1 3.48Å; L184-I219 HydrophobicContact CG-CD1 3.51Å; V215-I219 HydrophobicContact CG1-CD1 3.77Å; V215-I219 WeakPolarHBondContact O-CG1 3.39Å; V215-I219 PolarHBondContact O-N 3.34Å; K216-I219 PolarHBondContact O-N 2.96Å; I219-S221 VanDerWaalsContact C-N 3.25Å; I219-S221 PolarHBondContact O-N 3.12Å; I219-W222 HydrophobicContact CG1-CE3 4.31Å; I219-W222 HydrophobicContact CG1-CZ3 4.34Å; I219-W222 PolarHBondContact O-N 3.05Å; I219-W222 VanDerWaalsContact O-N 3.08Å; I219-E223 PolarHBondContact O-N 2.86Å
220A87.6Confident73.2Confident47 Ų4786.7 Ų86.739%0.38850%0.495SS..Hα-helixtrans-61.2-34.7176.700000112.3K216 A217 T218 W222 E223 T224K216-A220 WeakPolarHBondContact O-CB 3.48Å; K216-A220 PolarHBondContact O-N 3.45Å; A217-A220 PolarHBondContact O-N 3.49Å; T218-A220 PolarHBondContact O-N 3.35Å; A220-W222 VanDerWaalsContact C-N 3.32Å; A220-W222 PolarHBondContact O-N 3.28Å; A220-E223 PolarHBondContact O-N 2.7Å; A220-T224 WeakPolarHBondContact O-CG2 3.2Å; A220-T224 PolarHBondContact O-N 3.28Å; A220-T224 VanDerWaalsContact O-N 3.11Å; A220-T224 PolarHBondContact O-OG1 2.88Å
221S85.6Confident70.6Confident32 Ų3286.9 Ų86.922%0.22450%0.501CS..Hα-helixtrans-65.4-35.1175.280.80000112.6A217 T218 I219 T224 G225A217-S221 PolarHBondContact O-N 2.91Å; T218-S221 WeakPolarHBondContact O-CB 3.37Å; T218-S221 PolarHBondContact O-N 2.82Å; T218-S221 PolarHBondContact O-OG 3.43Å; I219-S221 VanDerWaalsContact C-N 3.25Å; I219-S221 PolarHBondContact O-N 3.12Å; S221-T224 PolarHBondContact O-OG1 2.97Å; S221-G225 PolarHBondContact O-N 3.47Å
222W80.2Confident68Low169 Ų16993.6 Ų93.664%0.6453%0.525SS*.Hα-helixtrans-74.5-37.2177-62-20.5000112.6T218 I219 A220 T224 G225T218-W222 HydrophobicContact CG2-CD2 4.25Å; T218-W222 HydrophobicContact CG2-CH2 3.78Å; T218-W222 HydrophobicContact CG2-CZ2 3.37Å; T218-W222 HydrophobicContact CG2-CZ3 4.35Å; T218-W222 PolarHBondContact O-N 3.13Å; I219-W222 HydrophobicContact CG1-CE3 4.31Å; I219-W222 HydrophobicContact CG1-CZ3 4.34Å; I219-W222 PolarHBondContact O-N 3.05Å; I219-W222 VanDerWaalsContact O-N 3.08Å; A220-W222 VanDerWaalsContact C-N 3.32Å; A220-W222 PolarHBondContact O-N 3.28Å; W222-T224 VanDerWaalsContact C-N 3.31Å; W222-T224 PolarHBondContact O-N 3.42Å; W222-G225 PolarHBondContact O-N 3.31Å
223E82.7Confident65.1Low153 Ų153103.7 Ų103.772%0.71557%0.569SS**Hα-helixtrans-67.4-31.2175.6-70-179.9169.100112.6I219 A220 G225I219-E223 PolarHBondContact O-N 2.86Å; A220-E223 PolarHBondContact O-N 2.7Å; E223-G225 VanDerWaalsContact C-N 3.34Å
224T80.3Confident62Low109 Ų109106.4 Ų106.467%0.66958%0.581SS**THydrogen-bonded Turntrans-84-5.3177.451.90000114A220 S221 W222 N226A220-T224 WeakPolarHBondContact O-CG2 3.2Å; A220-T224 PolarHBondContact O-N 3.28Å; A220-T224 VanDerWaalsContact O-N 3.11Å; A220-T224 PolarHBondContact O-OG1 2.88Å; S221-T224 PolarHBondContact O-OG1 2.97Å; W222-T224 VanDerWaalsContact C-N 3.31Å; W222-T224 PolarHBondContact O-N 3.42Å; T224-N226 PolarHBondContact O-N 3.3Å
225G59.2Low59.1Low60 Ų60106.1 Ų106.162%0.61959%0.589SS**THydrogen-bonded Turntrans74.918.6171.400000115.8S221 W222 E223S221-G225 PolarHBondContact O-N 3.47Å; W222-G225 PolarHBondContact O-N 3.31Å; E223-G225 VanDerWaalsContact C-N 3.34Å
226N47.9Very low56.4Low123 Ų123109.6 Ų109.666%0.65862%0.621SS**  trans-88.7122.6175.6-102.1-18.2000111T224 V228T224-N226 PolarHBondContact O-N 3.3Å; N226-V228 PolarHBondContact O-N 2.74Å
227P39.7Very low53.3Low108 Ų108112.9 Ų112.970%0.70164%0.643SS**  trans-68.6121.817726.5-29.9000109.8D229P227-D229 PolarHBondContact O-N 3.23Å; P227-D229 VanDerWaalsContact O-N 3.12Å
228V40.3Very low50.4Low93 Ų93115.5 Ų115.556%0.56465%0.652SS**  trans-69.1108.9174.4-1790000108.3N226 N230N226-V228 PolarHBondContact O-N 2.74Å; V228-N230 PolarHBondContact O-N 3.27Å
229D33.9Very low48.1Very low152 Ų152118 Ų11881%0.81367%0.669SS**  trans-61.880.6170-76.5-43000110.7P227P227-D229 PolarHBondContact O-N 3.23Å; P227-D229 VanDerWaalsContact O-N 3.12Å
230N30.7Very low45.1Very low159 Ų159124 Ų12485%0.8571%0.707SS**  trans-104.257.6161.1-101-9.7000109.3V228V228-N230 PolarHBondContact O-N 3.27Å
231A30.1Very low42.3Very low83 Ų83127.3 Ų127.369%0.68672%0.722SS**  trans-140.163171.500000109.4
232Q27.6Very low39.4Very low187 Ų187137.7 Ų137.787%0.87476%0.756SS**  trans-16673.4161-107.9161.935.600111.5
233K28.5Very low36.8Very low220 Ų220138.7 Ų138.796%0.95777%0.765SS**  trans-140.363.7145.1-125.4176.4-174174.90108.5
234E23.9Very low34Very low167 Ų167141.2 Ų141.278%0.7877%0.774SS**  trans-73.6133167.5-81.3-172.7152.200110.5
235T24.8Very low31.4Very low128 Ų128147.4 Ų147.479%0.78579%0.785SS**  trans59.495.2139.664.50000118.3
236A30.6Very low29.9Very low110 Ų110150 Ų15091%0.90979%0.791SS**  trans-114.8117.5139.100000108
237D24.8Very low28.8Very low148 Ų148149.9 Ų149.979%0.79180%0.8SS**  trans-81.2162.6-173-170.36.5000112.2
238V26.9Very low28.5Very low115 Ų115150.2 Ų150.270%0.69781%0.805SS**  trans79.6140.2157.5-156.70000118.6
239P38.7Very low27.9Very low104 Ų104150 Ų15068%0.67581%0.813SS**  -134.5168.8-51.937.6-18.4000113.6T241P239-T241 PolarHBondContact O-N 3.49Å
240T23.8Very low27.8Very low138 Ų138151.9 Ų151.985%0.84782%0.816SS**  trans-58.6113.1173.6-9.20000112.7
241T27.8Very low27.3Very low116 Ų116152.8 Ų152.871%0.71282%0.816SS**  trans-130.5104.2152.555.30000110.6P239 K243P239-T241 PolarHBondContact O-N 3.49Å; T241-K243 PolarHBondContact O-N 2.97Å; T241-K243 VanDerWaalsContact O-N 3.09Å
242R24.4Very low27.2Very low249 Ų249154.9 Ų154.994%0.9482%0.819SS**  trans-55.2106.7159.6-83.5172.6158.7161.9-6108.6
243K26.9Very low27.6Very low190 Ų190151.2 Ų151.283%0.82681%0.812SS**  trans-119.2116.8160.2-85.2-176.6178174.10109.6T241T241-K243 PolarHBondContact O-N 2.97Å; T241-K243 VanDerWaalsContact O-N 3.09Å
244K22.7Very low27.3Very low206 Ų206149.8 Ų149.890%0.89681%0.806SS**PPolyproline II helixtrans-47.4131.4172.9-76.2172.2171.8176.10110.4
245R25.6Very low27.6Very low239 Ų239150.2 Ų150.290%0.90281%0.813SS**PPolyproline II helixtrans-73.1131170.7-159174.1177.8-162.6-0.9108.5
246P27.4Very low27.6Very low116 Ų116151.4 Ų151.475%0.75381%0.814SS**PPolyproline II helixtrans-76.3142.8-178.931-32.9000110.9
247S26Very low27.6Very low120 Ų120149.9 Ų149.984%0.83981%0.809SS**PPolyproline II helixtrans-58.8123.2166.247.60000111.1
248S32.5Very low27.7Very low115 Ų115154.5 Ų154.580%0.80482%0.815SS**  trans-120.4106.3152-1760000107.1
249A27.5Very low27.9Very low88 Ų88153.9 Ų153.973%0.72782%0.816SS**  trans-69.7127.1173.600000109.9
250Q33.3Very low27.3Very low191 Ų191156.1 Ų156.189%0.89382%0.823SS**  trans-136.8104.6146-79.6-171-64.800107.2
251E20Very low27.6Very low179 Ų179155.5 Ų155.584%0.83682%0.818SS**  trans-60147.8161.9-56.9170.1120.200108.4
252V27.8Very low27.6Very low126 Ų126155 Ų15576%0.76482%0.817SS**  162.8158.881.9-177.40000104.6
253P34.7Very low27.7Very low111 Ų111152.9 Ų152.972%0.72182%0.815SS**  cis-127.6164-41.736.3-19.9000115.1
254K22.1Very low27.8Very low190 Ų190149.7 Ų149.783%0.82681%0.811SS**  trans-13124.4159-62171179.41780118.4
255L31.5Very low27.9Very low176 Ų176142.3 Ų142.392%0.92179%0.793SS**  trans-125.9112.4147.9-96.5160.6000108.4
256D24.9Very low28.2Very low153 Ų153138.4 Ų138.482%0.81879%0.789SS**  trans-67.5136.5171.4-67.2-58000110.2
257G30.8Very low28.1Very low78 Ų78141.3 Ų141.380%0.80479%0.793SS**  trans-178.250-177.500000113.5S259G257-S259 PolarHBondContact O-N 2.92Å
258R26Very low28.2Very low244 Ų244143.2 Ų143.292%0.92179%0.793SS**  trans-45.6119.4176.8-177.7178.3-178.3174-0.4113.6
259S31.4Very low28.1Very low102 Ų102142.6 Ų142.671%0.71379%0.789SS**  trans-153.189.8141.8-177.10000108.6G257 V261G257-S259 PolarHBondContact O-N 2.92Å; S259-V261 PolarHBondContact O-N 3.05Å
260N26.7Very low28.2Very low152 Ų152144.4 Ų144.481%0.81379%0.793SS**  trans-71.7111163.9-84.7-26000107
261V29.2Very low28.2Very low125 Ų125142.4 Ų142.476%0.75879%0.787SS**  trans-93.4118.8163.6-1600000106.7S259S259-V261 PolarHBondContact O-N 3.05Å
262P27.6Very low28.3Very low106 Ų106143.1 Ų143.169%0.68879%0.79SS**  trans-70133.3-172.2-15.929.8000111.7V264P262-V264 PolarHBondContact O-N 3.16Å
263F26.5Very low28.6Very low204 Ų204143 Ų14390%0.89579%0.791SS**  trans-59.6101.7165.9-177.8-99.1000109G265F263-G265 PolarHBondContact O-N 3.34Å
264V28.8Very low28.3Very low122 Ų122143.3 Ų143.374%0.73980%0.795SS**  trans-77.5110174.7-174.20000107.1P262 I266P262-V264 PolarHBondContact O-N 3.16Å; V264-I266 PolarHBondContact O-N 3.25Å
265G25.6Very low28.7Very low51 Ų51139 Ų13953%0.52680%0.795SS.*  trans-60.2119.3170.700000109.7F263 Q267F263-G265 PolarHBondContact O-N 3.34Å; G265-Q267 PolarHBondContact O-N 3.31Å
266I32.3Very low28.8Very low158 Ų158137.7 Ų137.781%0.8179%0.794SS**  trans-70.3111.7171.3-65.8171.7000106.4V264V264-I266 PolarHBondContact O-N 3.25Å
267Q25Very low29.3Very low177 Ų177133.6 Ų133.683%0.82779%0.788SS**  trans-78.4117.1170.1-74179.2-15.800108.2G265 S269G265-Q267 PolarHBondContact O-N 3.31Å; Q267-S269 PolarHBondContact O-N 2.89Å; Q267-S269 VanDerWaalsContact O-N 3.12Å
268D28.1Very low29.3Very low159 Ų159136.8 Ų136.885%0.8579%0.792SS**  trans-55.2112.5169.5-62-55.4000109.7
269S30.2Very low29.8Very low102 Ų102131 Ų13171%0.71378%0.783SS**  trans-109.9128.5164.7-74.30000109Q267 I271Q267-S269 PolarHBondContact O-N 2.89Å; Q267-S269 VanDerWaalsContact O-N 3.12Å; S269-I271 PolarHBondContact O-N 3.05Å
270P29.4Very low30Very low127 Ų127132.1 Ų132.183%0.82579%0.788SS**  trans-83.4120-168.122.9-14.2000110.8Q272P270-Q272 PolarHBondContact O-N 3.11Å
271I32.9Very low30.9Very low148 Ų148131.6 Ų131.676%0.75979%0.791SS**  trans-79.7118.5173.2-63.3176.6000108.8S269 T273S269-I271 PolarHBondContact O-N 3.05Å; I271-T273 HydrophobicContact CG2-CG2 4.18Å; I271-T273 PolarHBondContact O-N 3.45Å
272Q23.1Very low31.6Very low194 Ų194130.4 Ų130.491%0.90779%0.794SS**  trans-70.6103.5171.4-70.6175.4-17.500109.5P270P270-Q272 PolarHBondContact O-N 3.11Å
273T33Very low32.4Very low125 Ų125130.8 Ų130.877%0.76780%0.799SS**  trans-100.3114.1168.650.10000110I271I271-T273 HydrophobicContact CG2-CG2 4.18Å; I271-T273 PolarHBondContact O-N 3.45Å
274S29.4Very low33.3Very low116 Ų116126.2 Ų126.281%0.81179%0.792SS**  trans-62.2142.7175480000112.7
275A29.8Very low34.6Very low101 Ų101126 Ų12684%0.83580%0.795SS**  trans-54.2131-176.300000115.3
276V34.7Very low35.7Very low148 Ų148127.5 Ų127.590%0.89781%0.811SS**  trans-143.4124.4152.1-177.70000110
277G35.4Very low36.7Very low67 Ų67123.1 Ų123.169%0.69180%0.804SS**  trans92.279.9141.700000119
278T30.3Very low38.4Very low145 Ų145125.3 Ų125.389%0.8981%0.811SS**  trans-67.4129.5169.6-49.90000112.5
279V35.4Very low40.2Very low122 Ų122121.7 Ų121.774%0.73980%0.798SS**  trans-115.3140.8165.5-168.70000109.1
280P37.6Very low42.4Very low125 Ų125121 Ų12181%0.81279%0.786SS**PPolyproline II helixtrans-82.2127-160.5-7.325.4000112.9
281T45.3Very low44.7Very low141 Ų141116.9 Ų116.987%0.86576%0.76SS**PPolyproline II helixtrans-103.3130.4172.213.90000110.7
282A43.8Very low47Very low101 Ų101115.8 Ų115.884%0.83575%0.751SS**PPolyproline II helixtrans-67.9131.7-17600000112.8C284A282-C284 PolarHBondContact O-N 3.23Å
283S44.9Very low49.9Very low114 Ų114112.9 Ų112.980%0.79774%0.738SS**  trans-24.8112.8169.5-158.50000117.1
284C45.2Very low52.3Low108 Ų108115.9 Ų115.973%0.7374%0.735SS**  trans-91.7120.6149.8-74.10000108.2A282A282-C284 PolarHBondContact O-N 3.23Å
285S55.4Low54.8Low117 Ų117118.4 Ų118.482%0.81873%0.727SS**  trans-73.8128.5-172.836.80000113.5
286G49.3Very low57.5Low83 Ų83119.1 Ų119.186%0.85671%0.711SS**SBendtrans75.981.3143.200000117.9
287G53Low59.9Low65 Ų65117.5 Ų117.567%0.6769%0.694SS**SBendtrans117.1131167.200000110.9C289G287-C289 WeakPolarHBondContact O-CA 3.48Å; G287-C289 PolarHBondContact O-N 3.48Å
288K60.3Low62.5Low223 Ų223121 Ų12197%0.9769%0.687SS**  trans-39.483.7-176.7-75.6174.8176.5175.50111.9N290K288-N290 PolarHBondContact O-N 2.88Å
289C66.9Low65.3Low84 Ų84119.3 Ų119.357%0.56867%0.671SS**  trans-82.2120.5-174-173.80000105.5G287 C291G287-C289 WeakPolarHBondContact O-CA 3.48Å; G287-C289 PolarHBondContact O-N 3.48Å; C289-C291 HydrophobicContact CB-CB 4.42Å; C289-C291 PolarHBondContact O-N 3.21Å; C289-C291 WeakPolarHBondContact SG-CB 3.29Å
290N76.2Confident67.9Low88 Ų88117.3 Ų117.347%0.47166%0.656SS.*THydrogen-bonded Turntrans-72.421176-159.521000112.2K288 Q293 R294K288-N290 PolarHBondContact O-N 2.88Å; N290-Q293 WeakPolarHBondContact OD1-CB 3.28Å; N290-Q293 PolarHBondContact OD1-OE1 2.87Å; N290-R294 VanDerWaalsContact O-CB 3.28Å; N290-R294 WeakPolarHBondContact O-CB 3.34Å; N290-R294 WeakPolarHBondContact O-CG 3.36Å; N290-R294 PolarHBondContact O-N 2.91Å
291C77.4Confident70.4Confident40 Ų40113.6 Ų113.627%0.2763%0.633SS.*Hα-helixtrans-61.3-46.8-178.253.50000110.7C289 Q293 R294 W295C289-C291 HydrophobicContact CB-CB 4.42Å; C289-C291 PolarHBondContact O-N 3.21Å; C289-C291 WeakPolarHBondContact SG-CB 3.29Å; C291-Q293 PolarHBondContact O-N 2.9Å; C291-R294 PolarHBondContact O-N 2.87Å; C291-W295 WeakPolarHBondContact O-CB 3.46Å; C291-W295 PolarHBondContact O-N 2.72Å
292E80.8Confident72.6Confident124 Ų124109.3 Ų109.358%0.57960%0.604SS**Hα-helixtrans-60-46.8-178.6-171.6-174.5162.400111.6W295 K296E292-W295 PolarHBondContact O-N 2.96Å; E292-K296 HydrophobicContact CG-CD 4.41Å; E292-K296 WeakPolarHBondContact O-CB 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 VanDerWaalsContact OE1-CE 3.25Å; E292-K296 WeakPolarHBondContact OE1-CE 3.2Å; E292-K296 IonicContact OE1-NZ 2.67Å; E292-K296 PolarHBondContact OE1-NZ 3.49Å
293Q83.9Confident74.7Confident134 Ų134107 Ų10763%0.62659%0.586SS**Hα-helixtrans-68.2-37178.4-151.7173.1-20.600111.6N290 C291 Q297N290-Q293 WeakPolarHBondContact OD1-CB 3.28Å; N290-Q293 PolarHBondContact OD1-OE1 2.87Å; C291-Q293 PolarHBondContact O-N 2.9Å; Q293-Q297 VanDerWaalsContact O-CB 3.3Å; Q293-Q297 WeakPolarHBondContact O-CB 3.43Å; Q293-Q297 PolarHBondContact O-N 3.42Å
294R83.9Confident77Confident188 Ų188107.1 Ų107.171%0.70957%0.573SS**Hα-helixtrans-64.8-43.8174-83-177150.4176.7-5.9112.4N290 C291 Q297 Y298N290-R294 VanDerWaalsContact O-CB 3.28Å; N290-R294 WeakPolarHBondContact O-CB 3.34Å; N290-R294 WeakPolarHBondContact O-CG 3.36Å; N290-R294 PolarHBondContact O-N 2.91Å; C291-R294 PolarHBondContact O-N 2.87Å; R294-Q297 PolarHBondContact O-N 3.45Å; R294-Y298 WeakPolarHBondContact O-CB 3.42Å; R294-Y298 PolarHBondContact O-N 2.63Å
295W81.1Confident79.1Confident169 Ų169106.9 Ų106.964%0.6456%0.562SS**Hα-helixtrans-65.4-45176.9-79115.6000111C291 E292 Q297 Y298 I299C291-W295 WeakPolarHBondContact O-CB 3.46Å; C291-W295 PolarHBondContact O-N 2.72Å; E292-W295 PolarHBondContact O-N 2.96Å; W295-Q297 VanDerWaalsContact C-N 3.34Å; W295-Q297 PolarHBondContact O-N 3.47Å; W295-Y298 PolarHBondContact O-N 3.34Å; W295-I299 VanDerWaalsContact O-CG1 3.31Å; W295-I299 WeakPolarHBondContact O-CG1 3.4Å; W295-I299 PolarHBondContact O-N 3.49Å
296K86.4Confident80.8Confident116 Ų116109.4 Ų109.450%0.50455%0.553SS.*Hα-helixtrans-57-47.4172.4-74.8178.3-175.9172.70111.5E292 Y298 I299 I300E292-K296 HydrophobicContact CG-CD 4.41Å; E292-K296 WeakPolarHBondContact O-CB 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 VanDerWaalsContact OE1-CE 3.25Å; E292-K296 WeakPolarHBondContact OE1-CE 3.2Å; E292-K296 IonicContact OE1-NZ 2.67Å; E292-K296 PolarHBondContact OE1-NZ 3.49Å; K296-Y298 VanDerWaalsContact C-N 3.33Å; K296-Y298 PolarHBondContact O-N 2.9Å; K296-I299 PolarHBondContact O-N 3.42Å; K296-I300 VanDerWaalsContact O-CG1 3.27Å; K296-I300 WeakPolarHBondContact O-CG1 3.19Å; K296-I300 PolarHBondContact O-N 3.37Å
297Q86.2Confident82.8Confident114 Ų114110 Ų11053%0.53353%0.534SS..Hα-helixtrans-63.3-39178.1-171.9625700112.3Q293 R294 W295 I300 S301Q293-Q297 VanDerWaalsContact O-CB 3.3Å; Q293-Q297 WeakPolarHBondContact O-CB 3.43Å; Q293-Q297 PolarHBondContact O-N 3.42Å; R294-Q297 PolarHBondContact O-N 3.45Å; W295-Q297 VanDerWaalsContact C-N 3.34Å; W295-Q297 PolarHBondContact O-N 3.47Å; Q297-I300 PolarHBondContact O-N 2.91Å; Q297-S301 WeakPolarHBondContact O-CB 3.41Å; Q297-S301 PolarHBondContact O-N 3.1Å; Q297-S301 PolarHBondContact O-OG 2.84Å
298Y89.4Confident84.7Confident140 Ų140112.3 Ų112.355%0.54953%0.528SS..Hα-helixtrans-64.9-46177.3-174.1-101.5000111.5R294 W295 K296 I300 S301 L302R294-Y298 WeakPolarHBondContact O-CB 3.42Å; R294-Y298 PolarHBondContact O-N 2.63Å; W295-Y298 PolarHBondContact O-N 3.34Å; K296-Y298 VanDerWaalsContact C-N 3.33Å; K296-Y298 PolarHBondContact O-N 2.9Å; Y298-I300 PolarHBondContact O-N 3.45Å; Y298-S301 WeakPolarHBondContact CA-OG 3.3Å; Y298-S301 PolarHBondContact O-N 3.1Å; Y298-S301 PolarHBondContact O-OG 3.36Å; Y298-L302 WeakPolarHBondContact O-CB 3.44Å; Y298-L302 PolarHBondContact O-N 2.9Å
299I88.7Confident86.3Confident109 Ų109106.2 Ų106.256%0.55951%0.505SS*.Hα-helixtrans-60.4-46.1176-67.5166.8000110.7W295 K296 L302 A303W295-I299 VanDerWaalsContact O-CG1 3.31Å; W295-I299 WeakPolarHBondContact O-CG1 3.4Å; W295-I299 PolarHBondContact O-N 3.49Å; K296-I299 PolarHBondContact O-N 3.42Å; I299-L302 PolarHBondContact O-N 3.37Å; I299-A303 WeakPolarHBondContact O-CB 3.32Å; I299-A303 PolarHBondContact O-N 2.9Å
300I89.3Confident87.5Confident81 Ų81107.6 Ų107.642%0.41550%0.501SS..Hα-helixtrans-59.5-48.7176-68.6165.5000110.2K296 Q297 Y298 L302 A303 E304K296-I300 VanDerWaalsContact O-CG1 3.27Å; K296-I300 WeakPolarHBondContact O-CG1 3.19Å; K296-I300 PolarHBondContact O-N 3.37Å; Q297-I300 PolarHBondContact O-N 2.91Å; Y298-I300 PolarHBondContact O-N 3.45Å; I300-L302 VanDerWaalsContact C-N 3.28Å; I300-L302 PolarHBondContact O-N 3.04Å; I300-A303 PolarHBondContact O-N 3.46Å; I300-E304 HydrophobicContact CG2-CG 4.31Å; I300-E304 WeakPolarHBondContact O-CB 3.24Å; I300-E304 WeakPolarHBondContact O-CG 3.35Å; I300-E304 PolarHBondContact O-N 3.12Å
301S91.2Very high88.3Confident46 Ų46108.9 Ų108.932%0.32250%0.503SS..Hα-helixtrans-62.4-35.118065.80000113.1Q297 Y298 Q305Q297-S301 WeakPolarHBondContact O-CB 3.41Å; Q297-S301 PolarHBondContact O-N 3.1Å; Q297-S301 PolarHBondContact O-OG 2.84Å; Y298-S301 WeakPolarHBondContact CA-OG 3.3Å; Y298-S301 PolarHBondContact O-N 3.1Å; Y298-S301 PolarHBondContact O-OG 3.36Å; S301-Q305 WeakPolarHBondContact O-CB 3.48Å; S301-Q305 PolarHBondContact O-N 3.32Å
302L90.4Very high89Confident52 Ų52111.7 Ų111.727%0.27252%0.515SS..Hα-helixtrans-71.9-41.6177.1-171.666000111Y298 I299 I300 Q305 W306Y298-L302 WeakPolarHBondContact O-CB 3.44Å; Y298-L302 PolarHBondContact O-N 2.9Å; I299-L302 PolarHBondContact O-N 3.37Å; I300-L302 VanDerWaalsContact C-N 3.28Å; I300-L302 PolarHBondContact O-N 3.04Å; L302-Q305 PolarHBondContact O-N 3.29Å; L302-W306 HydrophobicContact CD1-CZ2 4.46Å; L302-W306 HydrophobicContact CD2-CZ2 3.98Å; L302-W306 HydrophobicContact CG-CD2 4.48Å; L302-W306 HydrophobicContact CG-CZ2 4.11Å; L302-W306 VanDerWaalsContact O-CG 3.31Å; L302-W306 PolarHBondContact O-N 3.29Å
303A89.4Confident89.6Confident53 Ų53110 Ų11044%0.43851%0.51SS..Hα-helixtrans-62.5-44.6175.100000111.6I299 I300 Q305 W306 Q307I299-A303 WeakPolarHBondContact O-CB 3.32Å; I299-A303 PolarHBondContact O-N 2.9Å; I300-A303 PolarHBondContact O-N 3.46Å; A303-Q305 VanDerWaalsContact C-N 3.35Å; A303-Q305 PolarHBondContact O-N 3.5Å; A303-W306 PolarHBondContact O-N 3.01Å; A303-Q307 WeakPolarHBondContact O-CB 3.49Å; A303-Q307 PolarHBondContact O-N 3.27Å
304E92Very high89.9Confident115 Ų115107.3 Ų107.354%0.53750%0.499SS..Hα-helixtrans-60.3-43.6173.9-73174163.900111.6I300 W306 Q307 M308I300-E304 HydrophobicContact CG2-CG 4.31Å; I300-E304 WeakPolarHBondContact O-CB 3.24Å; I300-E304 WeakPolarHBondContact O-CG 3.35Å; I300-E304 PolarHBondContact O-N 3.12Å; E304-W306 PolarHBondContact O-N 3.09Å; E304-Q307 PolarHBondContact O-N 2.94Å; E304-M308 WeakPolarHBondContact O-CB 3.22Å; E304-M308 PolarHBondContact O-N 2.68Å
305Q90.3Very high90.2Very high104 Ų104104 Ų10449%0.48649%0.492SS..Hα-helixtrans-62.5-42.7176.9-175.3178.9-19.700111.8S301 L302 A303 M308 M309S301-Q305 WeakPolarHBondContact O-CB 3.48Å; S301-Q305 PolarHBondContact O-N 3.32Å; L302-Q305 PolarHBondContact O-N 3.29Å; A303-Q305 VanDerWaalsContact C-N 3.35Å; A303-Q305 PolarHBondContact O-N 3.5Å; Q305-M308 PolarHBondContact O-N 3.06Å; Q305-M309 WeakPolarHBondContact O-CG 3.43Å; Q305-M309 PolarHBondContact O-N 3.4Å
306W90.5Very high90.7Very high169 Ų169101.5 Ų101.564%0.6449%0.486SS*.Hα-helixtrans-67.3-42176.6-70.72.7000112.2L302 A303 E304 M308 M309 F310L302-W306 HydrophobicContact CD1-CZ2 4.46Å; L302-W306 HydrophobicContact CD2-CZ2 3.98Å; L302-W306 HydrophobicContact CG-CD2 4.48Å; L302-W306 HydrophobicContact CG-CZ2 4.11Å; L302-W306 VanDerWaalsContact O-CG 3.31Å; L302-W306 PolarHBondContact O-N 3.29Å; A303-W306 PolarHBondContact O-N 3.01Å; E304-W306 PolarHBondContact O-N 3.09Å; W306-M308 VanDerWaalsContact C-N 3.29Å; W306-M308 PolarHBondContact O-N 3.45Å; W306-M309 PolarHBondContact O-N 3.29Å; W306-F310 WeakPolarHBondContact O-CB 3.49Å; W306-F310 PolarHBondContact O-N 2.78Å
307Q92.3Very high91Very high96 Ų96100 Ų10045%0.44949%0.488SS..Hα-helixtrans-62.5-39.3177-165.5-172.920.100111.3A303 E304 K311A303-Q307 WeakPolarHBondContact O-CB 3.49Å; A303-Q307 PolarHBondContact O-N 3.27Å; E304-Q307 PolarHBondContact O-N 2.94Å; Q307-K311 WeakPolarHBondContact O-CB 3.38Å; Q307-K311 VanDerWaalsContact O-CG 3.32Å; Q307-K311 WeakPolarHBondContact O-CG 3.26Å; Q307-K311 PolarHBondContact O-N 2.77Å
308M92.4Very high91.2Very high113 Ų113100.9 Ų100.956%0.55749%0.488SS*.Hα-helixtrans-64.6-48.5174.3-173.9178.969.300111.3E304 Q305 W306 F310 K311 D312E304-M308 WeakPolarHBondContact O-CB 3.22Å; E304-M308 PolarHBondContact O-N 2.68Å; Q305-M308 PolarHBondContact O-N 3.06Å; W306-M308 VanDerWaalsContact C-N 3.29Å; W306-M308 PolarHBondContact O-N 3.45Å; M308-F310 VanDerWaalsContact C-N 3.33Å; M308-F310 PolarHBondContact O-N 3.24Å; M308-K311 PolarHBondContact O-N 2.63Å; M308-D312 PolarHBondContact O-N 3.05Å
309M92.5Very high91.3Very high96 Ų9696.6 Ų96.647%0.47348%0.477SS..Hα-helixtrans-59.6-42.8177.1-75.1-179.953.800112.4Q305 W306 D312 D313Q305-M309 WeakPolarHBondContact O-CG 3.43Å; Q305-M309 PolarHBondContact O-N 3.4Å; W306-M309 PolarHBondContact O-N 3.29Å; M309-D312 PolarHBondContact O-N 3.3Å; M309-D313 WeakPolarHBondContact O-CB 3.36Å; M309-D313 PolarHBondContact O-N 3.08Å
310F93.4Very high91.5Very high113 Ų11395.1 Ų95.150%0.49647%0.467SS..Hα-helixtrans-63.2-43.3177.5179.8-97.5000112W306 M308 D313 L314W306-F310 WeakPolarHBondContact O-CB 3.49Å; W306-F310 PolarHBondContact O-N 2.78Å; M308-F310 VanDerWaalsContact C-N 3.33Å; M308-F310 PolarHBondContact O-N 3.24Å; F310-D313 PolarHBondContact O-N 2.79Å; F310-L314 HydrophobicContact CE1-CD1 4.05Å; F310-L314 HydrophobicContact CZ-CD1 4.17Å; F310-L314 WeakPolarHBondContact O-CB 3.46Å; F310-L314 PolarHBondContact O-N 3.32Å
311K92.1Very high91.6Very high115 Ų11595.5 Ų95.550%0.547%0.47SS..Hα-helixtrans-62.8-43.5175.9-76.7173.9-178.2169.20111.8Q307 M308 L314 E315Q307-K311 WeakPolarHBondContact O-CB 3.38Å; Q307-K311 VanDerWaalsContact O-CG 3.32Å; Q307-K311 WeakPolarHBondContact O-CG 3.26Å; Q307-K311 PolarHBondContact O-N 2.77Å; M308-K311 PolarHBondContact O-N 2.63Å; K311-L314 PolarHBondContact O-N 2.87Å; K311-E315 WeakPolarHBondContact O-CB 3.35Å; K311-E315 PolarHBondContact O-N 2.85Å
312D92.5Very high91.6Very high98 Ų98100 Ų10052%0.52448%0.48SS..Hα-helixtrans-62.8-45.6177.2-8310.1000111.4M308 M309 E315 K316M308-D312 PolarHBondContact O-N 3.05Å; M309-D312 PolarHBondContact O-N 3.3Å; D312-E315 PolarHBondContact O-N 3.42Å; D312-K316 VanDerWaalsContact O-CB 3.3Å; D312-K316 WeakPolarHBondContact O-CB 3.44Å; D312-K316 PolarHBondContact O-N 3.23Å
313D93.7Very high91.7Very high90 Ų90102.8 Ų102.848%0.48149%0.491SS..Hα-helixtrans-65.8-38.8177.8-79.7-24.5000112.1M309 F310 K316 C317M309-D313 WeakPolarHBondContact O-CB 3.36Å; M309-D313 PolarHBondContact O-N 3.08Å; F310-D313 PolarHBondContact O-N 2.79Å; D313-K316 WeakPolarHBondContact O-CB 3.28Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-C317 WeakPolarHBondContact O-CB 3.3Å; D313-C317 PolarHBondContact O-N 3.46Å; D313-C317 PolarHBondContact O-SG 3.2Å
314L89.3Confident91.9Very high76 Ų76107.8 Ų107.840%0.39850%0.499SS..Hα-helixtrans-64.8-47.5175-178.1132.1000111.4F310 K311 K316 C317 Y318F310-L314 HydrophobicContact CE1-CD1 4.05Å; F310-L314 HydrophobicContact CZ-CD1 4.17Å; F310-L314 WeakPolarHBondContact O-CB 3.46Å; F310-L314 PolarHBondContact O-N 3.32Å; K311-L314 PolarHBondContact O-N 2.87Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 2.75Å; L314-C317 PolarHBondContact O-N 2.83Å; L314-Y318 HydrophobicContact CD1-CE2 4.14Å; L314-Y318 HydrophobicContact CD2-CD2 3.66Å; L314-Y318 HydrophobicContact CD2-CE2 3.52Å; L314-Y318 HydrophobicContact CG-CD2 3.81Å; L314-Y318 HydrophobicContact CG-CE2 3.6Å; L314-Y318 WeakPolarHBondContact O-CD2 3.45Å; L314-Y318 PolarHBondContact O-N 3.39Å
315E91.3Very high91.8Very high120 Ų120107.9 Ų107.956%0.56150%0.499SS*.Hα-helixtrans-60.2-40.3175.1-175.5171.7-173.300111.4K311 D312 Y318 T319K311-E315 WeakPolarHBondContact O-CB 3.35Å; K311-E315 PolarHBondContact O-N 2.85Å; D312-E315 PolarHBondContact O-N 3.42Å; E315-Y318 PolarHBondContact O-N 2.93Å; E315-T319 HydrophobicContact CG-CG2 4.33Å; E315-T319 WeakPolarHBondContact O-CB 3.4Å; E315-T319 VanDerWaalsContact O-CG2 3.29Å; E315-T319 WeakPolarHBondContact O-CG2 3.49Å; E315-T319 PolarHBondContact O-N 3.23Å; E315-T319 PolarHBondContact O-OG1 3.26Å
316K92.4Very high91.8Very high116 Ų116109.3 Ų109.350%0.50450%0.504SS..Hα-helixtrans-61.6-45.5174-172.9-179.9175.6-171.80111.8D312 D313 L314 Y318 T319 E320D312-K316 VanDerWaalsContact O-CB 3.3Å; D312-K316 WeakPolarHBondContact O-CB 3.44Å; D312-K316 PolarHBondContact O-N 3.23Å; D313-K316 WeakPolarHBondContact O-CB 3.28Å; D313-K316 PolarHBondContact O-N 2.99Å; L314-K316 VanDerWaalsContact C-N 3.29Å; L314-K316 PolarHBondContact O-N 2.75Å; K316-Y318 PolarHBondContact O-N 3.18Å; K316-T319 WeakPolarHBondContact CA-OG1 3.3Å; K316-T319 PolarHBondContact O-N 2.79Å; K316-T319 PolarHBondContact O-OG1 3.48Å; K316-E320 WeakPolarHBondContact CE-OE1 3.33Å; K316-E320 WeakPolarHBondContact O-CB 3.48Å; K316-E320 WeakPolarHBondContact O-CG 3.37Å; K316-E320 PolarHBondContact O-N 3.38Å
317C90.7Very high91.9Very high83 Ų83108.5 Ų108.556%0.56151%0.505SS*.Hα-helixtrans-62.3-43176.9-70.50000111.9D313 L314 L321D313-C317 WeakPolarHBondContact O-CB 3.3Å; D313-C317 PolarHBondContact O-N 3.46Å; D313-C317 PolarHBondContact O-SG 3.2Å; L314-C317 PolarHBondContact O-N 2.83Å; C317-L321 WeakPolarHBondContact O-CB 3.28Å; C317-L321 PolarHBondContact O-N 2.99Å
318Y91.7Very high92Very high133 Ų133111.1 Ų111.152%0.52252%0.515SS..Hα-helixtrans-65.7-43.2176.7-83.7-66.5000112.8L314 E315 K316 L321 R322L314-Y318 HydrophobicContact CD1-CE2 4.14Å; L314-Y318 HydrophobicContact CD2-CD2 3.66Å; L314-Y318 HydrophobicContact CD2-CE2 3.52Å; L314-Y318 HydrophobicContact CG-CD2 3.81Å; L314-Y318 HydrophobicContact CG-CE2 3.6Å; L314-Y318 WeakPolarHBondContact O-CD2 3.45Å; L314-Y318 PolarHBondContact O-N 3.39Å; E315-Y318 PolarHBondContact O-N 2.93Å; K316-Y318 PolarHBondContact O-N 3.18Å; Y318-L321 PolarHBondContact O-N 3.46Å; Y318-R322 WeakPolarHBondContact O-CB 3.35Å; Y318-R322 WeakPolarHBondContact O-CG 3.47Å; Y318-R322 PolarHBondContact O-N 3.45Å
319T90.3Very high92Very high51 Ų51111.4 Ų111.431%0.31352%0.518SS..Hα-helixtrans-64.6-44.2176.950.80000111.4E315 K316 L321 R322 E323E315-T319 HydrophobicContact CG-CG2 4.33Å; E315-T319 WeakPolarHBondContact O-CB 3.4Å; E315-T319 VanDerWaalsContact O-CG2 3.29Å; E315-T319 WeakPolarHBondContact O-CG2 3.49Å; E315-T319 PolarHBondContact O-N 3.23Å; E315-T319 PolarHBondContact O-OG1 3.26Å; K316-T319 WeakPolarHBondContact CA-OG1 3.3Å; K316-T319 PolarHBondContact O-N 2.79Å; K316-T319 PolarHBondContact O-OG1 3.48Å; T319-L321 PolarHBondContact O-N 3.34Å; T319-R322 VanDerWaalsContact CG2-NH2 3.35Å; T319-R322 PolarHBondContact O-N 3.18Å; T319-E323 WeakPolarHBondContact O-CG 3.33Å; T319-E323 PolarHBondContact O-N 3.47Å
320E93.3Very high91.8Very high77 Ų77109.5 Ų109.536%0.3652%0.517SS..Hα-helixtrans-61-43.5174.9-75.7-172.5-158.400112.4K316 E323 R324K316-E320 WeakPolarHBondContact CE-OE1 3.33Å; K316-E320 WeakPolarHBondContact O-CB 3.48Å; K316-E320 WeakPolarHBondContact O-CG 3.37Å; K316-E320 PolarHBondContact O-N 3.38Å; E320-E323 PolarHBondContact O-N 2.93Å; E320-R324 WeakPolarHBondContact O-CB 3.22Å; E320-R324 WeakPolarHBondContact O-CG 3.5Å; E320-R324 PolarHBondContact O-N 3.43Å; E320-R324 IonicContact OE2-CZ 2.63Å; E320-R324 IonicContact OE2-NH2 3.3Å; E320-R324 PolarHBondContact OE2-NH2 2.85Å
321L90.8Very high91.8Very high90 Ų90107.8 Ų107.847%0.47152%0.516SS..Hα-helixtrans-63.1-45.9177.3-17960.6000111.6C317 Y318 T319 R324 Q325C317-L321 WeakPolarHBondContact O-CB 3.28Å; C317-L321 PolarHBondContact O-N 2.99Å; Y318-L321 PolarHBondContact O-N 3.46Å; T319-L321 PolarHBondContact O-N 3.34Å; L321-R324 PolarHBondContact O-N 3.02Å; L321-Q325 HydrophobicContact CD1-CG 4.42Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 3Å
322R91.3Very high91.9Very high140 Ų140107.9 Ų107.953%0.52852%0.518SS..Hα-helixtrans-60-46.7176.8-76.3-173.2-64.6-141.41.2111.8Y318 T319 Q325 K326Y318-R322 WeakPolarHBondContact O-CB 3.35Å; Y318-R322 WeakPolarHBondContact O-CG 3.47Å; Y318-R322 PolarHBondContact O-N 3.45Å; T319-R322 VanDerWaalsContact CG2-NH2 3.35Å; T319-R322 PolarHBondContact O-N 3.18Å; R322-Q325 PolarHBondContact O-N 2.59Å; R322-K326 WeakPolarHBondContact O-CB 3.3Å; R322-K326 PolarHBondContact O-N 2.83Å
323E92.9Very high91.7Very high111 Ų111108.1 Ų108.152%0.51952%0.519SS..Hα-helixtrans-67.1-37.7178.8-71.7-57.5135.500112T319 E320 K326 K327T319-E323 WeakPolarHBondContact O-CG 3.33Å; T319-E323 PolarHBondContact O-N 3.47Å; E320-E323 PolarHBondContact O-N 2.93Å; E323-K326 PolarHBondContact O-N 3.04Å; E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.48Å; E323-K327 PolarHBondContact O-N 2.92Å
324R93.3Very high91.6Very high158 Ų158106.7 Ų106.760%0.59652%0.52SS*.Hα-helixtrans-61.4-44.8172.5-74.2174.1-163.1-174.19.8111.6E320 L321 K328E320-R324 WeakPolarHBondContact O-CB 3.22Å; E320-R324 WeakPolarHBondContact O-CG 3.5Å; E320-R324 PolarHBondContact O-N 3.43Å; E320-R324 IonicContact OE2-CZ 2.63Å; E320-R324 IonicContact OE2-NH2 3.3Å; E320-R324 PolarHBondContact OE2-NH2 2.85Å; L321-R324 PolarHBondContact O-N 3.02Å; R324-K328 WeakPolarHBondContact O-CG 3.49Å; R324-K328 PolarHBondContact O-N 3.38Å
325Q91Very high91.9Very high117 Ų117108.3 Ų108.355%0.54752%0.524SS..Hα-helixtrans-65.1-45.6177.6-74.8178.6-13.700111.9L321 R322 K327 K328 L329L321-Q325 HydrophobicContact CD1-CG 4.42Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 3Å; R322-Q325 PolarHBondContact O-N 2.59Å; Q325-K327 VanDerWaalsContact C-N 3.35Å; Q325-K327 PolarHBondContact O-N 3.37Å; Q325-K328 PolarHBondContact O-N 3.38Å; Q325-L329 PolarHBondContact O-N 2.96Å
326K90.4Very high91.9Very high133 Ų133107.9 Ų107.958%0.57853%0.525SS*.Hα-helixtrans-59.2-44.1176.3-176.6-178.2176.2-173.30111.8R322 E323 L329 A330R322-K326 WeakPolarHBondContact O-CB 3.3Å; R322-K326 PolarHBondContact O-N 2.83Å; E323-K326 PolarHBondContact O-N 3.04Å; K326-L329 PolarHBondContact O-N 3.5Å; K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.23Å
327K93.2Very high91.8Very high153 Ų153111.1 Ų111.167%0.66553%0.534SS*.Hα-helixtrans-63.9-41.8176.3-173.4177.7-179.71800111.9E323 Q325 A330 T331E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.48Å; E323-K327 PolarHBondContact O-N 2.92Å; Q325-K327 VanDerWaalsContact C-N 3.35Å; Q325-K327 PolarHBondContact O-N 3.37Å; K327-A330 PolarHBondContact O-N 2.95Å; K327-T331 WeakPolarHBondContact O-CB 3.27Å; K327-T331 PolarHBondContact O-N 3.42Å; K327-T331 PolarHBondContact O-OG1 3.45Å
328K94Very high92Very high151 Ų151110.1 Ų110.166%0.65753%0.531SS*.Hα-helixtrans-60.8-51175.5-76.6179.8179.4-173.20111.2R324 Q325 A330 T331 E332R324-K328 WeakPolarHBondContact O-CG 3.49Å; R324-K328 PolarHBondContact O-N 3.38Å; Q325-K328 PolarHBondContact O-N 3.38Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.21Å; K328-T331 PolarHBondContact O-N 2.9Å; K328-T331 VanDerWaalsContact O-N 3.15Å; K328-E332 WeakPolarHBondContact O-CG 2.99Å; K328-E332 PolarHBondContact O-N 3.38Å
329L91.4Very high92.1Very high118 Ų118108.2 Ų108.262%0.61853%0.527SS*.Hα-helixtrans-58.3-45.1177.8-170.8105.2000111.8Q325 K326 T331 E332 L333Q325-L329 PolarHBondContact O-N 2.96Å; K326-L329 PolarHBondContact O-N 3.5Å; L329-T331 VanDerWaalsContact C-N 3.33Å; L329-T331 PolarHBondContact O-N 3.41Å; L329-E332 PolarHBondContact O-N 2.79Å; L329-L333 HydrophobicContact CD2-CD1 3.95Å; L329-L333 HydrophobicContact CG-CD1 4.15Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 3.14Å
330A89.8Confident92.2Very high56 Ų56110 Ų11046%0.46353%0.533SS..Hα-helixtrans-62.5-39.3177.300000112.4K326 K327 K328 A334K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.23Å; K327-A330 PolarHBondContact O-N 2.95Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.21Å; A330-A334 VanDerWaalsContact O-CB 3.3Å; A330-A334 WeakPolarHBondContact O-CB 3.42Å; A330-A334 PolarHBondContact O-N 2.9Å
331T93.1Very high92.2Very high77 Ų77111.6 Ų111.647%0.47254%0.542SS..Hα-helixtrans-66.9-45.2177.4-53.20000111.3K327 K328 L329 A334 K335K327-T331 WeakPolarHBondContact O-CB 3.27Å; K327-T331 PolarHBondContact O-N 3.42Å; K327-T331 PolarHBondContact O-OG1 3.45Å; K328-T331 PolarHBondContact O-N 2.9Å; K328-T331 VanDerWaalsContact O-N 3.15Å; L329-T331 VanDerWaalsContact C-N 3.33Å; L329-T331 PolarHBondContact O-N 3.41Å; T331-A334 PolarHBondContact O-N 3.36Å; T331-K335 WeakPolarHBondContact O-CB 3.41Å; T331-K335 PolarHBondContact O-N 2.92Å
332E92.9Very high92.4Very high117 Ų117111.4 Ų111.455%0.54754%0.539SS..Hα-helixtrans-64.9-42.5177.7-68.2-55.5141.200111.9K328 L329 A334 K335 L336K328-E332 WeakPolarHBondContact O-CG 2.99Å; K328-E332 PolarHBondContact O-N 3.38Å; L329-E332 PolarHBondContact O-N 2.79Å; E332-A334 PolarHBondContact O-N 3.16Å; E332-K335 PolarHBondContact O-N 3.23Å; E332-L336 WeakPolarHBondContact O-CB 3.31Å; E332-L336 PolarHBondContact O-N 2.91Å
333L89.9Confident92.5Very high103 Ų103108.7 Ų108.754%0.53953%0.534SS..Hα-helixtrans-62.8-41.1174.8-75173.2000112.1L329 R337L329-L333 HydrophobicContact CD2-CD1 3.95Å; L329-L333 HydrophobicContact CG-CD1 4.15Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 3.14Å; L333-R337 VanDerWaalsContact O-CB 3.28Å; L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 2.76Å
334A91.7Very high92.5Very high61 Ų61109.2 Ų109.250%0.50454%0.535SS..Hα-helixtrans-65.3-41176.200000111.8A330 T331 E332 R337 A338A330-A334 VanDerWaalsContact O-CB 3.3Å; A330-A334 WeakPolarHBondContact O-CB 3.42Å; A330-A334 PolarHBondContact O-N 2.9Å; T331-A334 PolarHBondContact O-N 3.36Å; E332-A334 PolarHBondContact O-N 3.16Å; A334-R337 PolarHBondContact O-N 3.27Å; A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.41Å
335K95Very high92.5Very high109 Ų109109 Ų10947%0.47454%0.535SS..Hα-helixtrans-64.3-50.9176.9-176.3-178.8171.9-171.90111.5T331 E332 R337 A338 E339T331-K335 WeakPolarHBondContact O-CB 3.41Å; T331-K335 PolarHBondContact O-N 2.92Å; E332-K335 PolarHBondContact O-N 3.23Å; K335-R337 VanDerWaalsContact C-N 3.28Å; K335-R337 PolarHBondContact O-N 3.02Å; K335-A338 PolarHBondContact O-N 2.98Å; K335-A338 VanDerWaalsContact O-N 3.08Å; K335-E339 WeakPolarHBondContact CE-OE1 3.31Å; K335-E339 HydrophobicContact CG-CG 4.5Å; K335-E339 IonicContact NZ-OE1 2.63Å; K335-E339 WeakPolarHBondContact O-CG 3.4Å; K335-E339 PolarHBondContact O-N 3.45Å
336L90.2Very high92.8Very high112 Ų112110.1 Ų110.159%0.58653%0.534SS*.Hα-helixtrans-58.8-41.2177.6-176.764.5000111.5E332 M340E332-L336 WeakPolarHBondContact O-CB 3.31Å; E332-L336 PolarHBondContact O-N 2.91Å; L336-M340 VanDerWaalsContact O-CB 3.24Å; L336-M340 WeakPolarHBondContact O-CB 3.46Å; L336-M340 PolarHBondContact O-N 3.15Å
337R92Very high93.1Very high184 Ų184109.7 Ų109.769%0.69453%0.534SS*.Hα-helixtrans-63.3-43.1174.9-177.7178178.6171.70.6112L333 A334 K335 M341L333-R337 VanDerWaalsContact O-CB 3.28Å; L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 2.76Å; A334-R337 PolarHBondContact O-N 3.27Å; K335-R337 VanDerWaalsContact C-N 3.28Å; K335-R337 PolarHBondContact O-N 3.02Å; R337-M341 WeakPolarHBondContact O-CB 3.26Å; R337-M341 VanDerWaalsContact O-CG 3.23Å; R337-M341 WeakPolarHBondContact O-CG 3.47Å; R337-M341 PolarHBondContact O-N 3.48Å
338A93.2Very high93.2Very high61 Ų61108 Ų10850%0.50453%0.532SS..Hα-helixtrans-66.2-44.617900000111.9A334 K335 M341 E342A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.41Å; K335-A338 PolarHBondContact O-N 2.98Å; K335-A338 VanDerWaalsContact O-N 3.08Å; A338-M341 PolarHBondContact O-N 3.34Å; A338-E342 WeakPolarHBondContact O-CB 3.48Å; A338-E342 PolarHBondContact O-N 3.42Å
339E94Very high93.2Very high93 Ų93103.5 Ų103.544%0.43551%0.514SS..Hα-helixtrans-60.4-47.8176.2-72.5173.4175.100111.2K335 M341 E342 D343K335-E339 WeakPolarHBondContact CE-OE1 3.31Å; K335-E339 HydrophobicContact CG-CG 4.5Å; K335-E339 IonicContact NZ-OE1 2.63Å; K335-E339 WeakPolarHBondContact O-CG 3.4Å; K335-E339 PolarHBondContact O-N 3.45Å; E339-M341 PolarHBondContact O-N 3.35Å; E339-E342 PolarHBondContact O-N 3.37Å; E339-E342 VanDerWaalsContact O-N 3.15Å; E339-D343 PolarHBondContact O-N 3.48Å
340M93.4Very high93.5Very high88 Ų88101 Ų10143%0.43351%0.507SS..Hα-helixtrans-59.5-43.8176.7-177.1-163.971.800112.3L336 E342 D343 F344L336-M340 VanDerWaalsContact O-CB 3.24Å; L336-M340 WeakPolarHBondContact O-CB 3.46Å; L336-M340 PolarHBondContact O-N 3.15Å; M340-E342 VanDerWaalsContact C-N 3.3Å; M340-E342 PolarHBondContact O-N 3.19Å; M340-D343 PolarHBondContact O-N 2.96Å; M340-F344 HydrophobicContact CE-CE2 4.31Å; M340-F344 HydrophobicContact CG-CD2 3.8Å; M340-F344 HydrophobicContact CG-CE2 3.48Å; M340-F344 VanDerWaalsContact CG-CE2 3.48Å; M340-F344 WeakPolarHBondContact O-CD2 3.38Å; M340-F344 PolarHBondContact O-N 2.55Å; M340-F344 HydrophobicContact SD-CE2 3.91Å
341M93.2Very high93.8Very high112 Ų112101.2 Ų101.255%0.55250%0.502SS*.Hα-helixtrans-65.3-35177.4-72.4-61.1-56.800112.2R337 A338 E339 R345R337-M341 WeakPolarHBondContact O-CB 3.26Å; R337-M341 VanDerWaalsContact O-CG 3.23Å; R337-M341 WeakPolarHBondContact O-CG 3.47Å; R337-M341 PolarHBondContact O-N 3.48Å; A338-M341 PolarHBondContact O-N 3.34Å; E339-M341 PolarHBondContact O-N 3.35Å; M341-R345 WeakPolarHBondContact O-CB 3.46Å; M341-R345 PolarHBondContact O-N 3.31Å
342E95.2Very high94Very high86 Ų86104.4 Ų104.440%0.40251%0.506SS..Hα-helixtrans-72-38.6176.4-173.757.7-150.600112.1A338 E339 M340 R345 R346A338-E342 WeakPolarHBondContact O-CB 3.48Å; A338-E342 PolarHBondContact O-N 3.42Å; E339-E342 PolarHBondContact O-N 3.37Å; E339-E342 VanDerWaalsContact O-N 3.15Å; M340-E342 VanDerWaalsContact C-N 3.3Å; M340-E342 PolarHBondContact O-N 3.19Å; E342-R345 PolarHBondContact O-N 3.08Å; E342-R346 PolarHBondContact O-N 3.44Å
343D92.6Very high94.2Very high82 Ų82104.8 Ų104.844%0.43951%0.508SS..Hα-helixtrans-59.5-49171.3-75.9-30000111E339 M340 R345 R346 E347E339-D343 PolarHBondContact O-N 3.48Å; M340-D343 PolarHBondContact O-N 2.96Å; D343-R345 VanDerWaalsContact C-N 3.3Å; D343-R345 PolarHBondContact O-N 3.48Å; D343-R346 PolarHBondContact O-N 3.49Å; D343-R346 IonicContact OD1-CZ 3.76Å; D343-R346 VanDerWaalsContact OD1-CZ 3.25Å; D343-R346 IonicContact OD1-NH1 3.38Å; D343-R346 IonicContact OD1-NH2 3.9Å; D343-R346 PolarHBondContact OD1-NH2 2.88Å; D343-E347 PolarHBondContact O-N 2.86Å
344F93.8Very high94.5Very high123 Ų123104.5 Ų104.554%0.53950%0.503SS..Hα-helixtrans-61.3-38.6176.7-79.8-57.7000112.7M340 E347 L348M340-F344 HydrophobicContact CE-CE2 4.31Å; M340-F344 HydrophobicContact CG-CD2 3.8Å; M340-F344 HydrophobicContact CG-CE2 3.48Å; M340-F344 VanDerWaalsContact CG-CE2 3.48Å; M340-F344 WeakPolarHBondContact O-CD2 3.38Å; M340-F344 PolarHBondContact O-N 2.55Å; M340-F344 HydrophobicContact SD-CE2 3.91Å; F344-E347 PolarHBondContact O-N 3.34Å; F344-L348 WeakPolarHBondContact O-CB 3.35Å; F344-L348 VanDerWaalsContact O-CG 3.31Å; F344-L348 WeakPolarHBondContact O-CG 3.35Å; F344-L348 PolarHBondContact O-N 3.42Å
345R93.6Very high94.8Very high153 Ų153105.5 Ų105.558%0.57750%0.5SS*.Hα-helixtrans-63-46.7176.1-175.9-178.1-180173.41.5111.3M341 E342 D343 E347 L348 D349M341-R345 WeakPolarHBondContact O-CB 3.46Å; M341-R345 PolarHBondContact O-N 3.31Å; E342-R345 PolarHBondContact O-N 3.08Å; D343-R345 VanDerWaalsContact C-N 3.3Å; D343-R345 PolarHBondContact O-N 3.48Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.03Å; R345-L348 PolarHBondContact O-N 3.2Å; R345-D349 PolarHBondContact O-N 3.43Å
346R96.7Very high94.9Very high141 Ų141104.7 Ų104.753%0.53250%0.501SS..Hα-helixtrans-60.1-41.9176.9-79.1-174.5-82.4142.2-8.9112.2E342 D343 D349 S350E342-R346 PolarHBondContact O-N 3.44Å; D343-R346 PolarHBondContact O-N 3.49Å; D343-R346 IonicContact OD1-CZ 3.76Å; D343-R346 VanDerWaalsContact OD1-CZ 3.25Å; D343-R346 IonicContact OD1-NH1 3.38Å; D343-R346 IonicContact OD1-NH2 3.9Å; D343-R346 PolarHBondContact OD1-NH2 2.88Å; R346-D349 PolarHBondContact O-N 2.9Å; R346-S350 VanDerWaalsContact O-CB 3.29Å; R346-S350 WeakPolarHBondContact O-CB 3.34Å; R346-S350 PolarHBondContact O-N 2.97Å
347E95.4Very high95.3Very high124 Ų124102.3 Ų102.358%0.57950%0.497SS*.Hα-helixtrans-65.7-41.7177.4-164.265.2-158.800111.9D343 F344 R345 S350 T351D343-E347 PolarHBondContact O-N 2.86Å; F344-E347 PolarHBondContact O-N 3.34Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.03Å; E347-S350 PolarHBondContact O-N 3.35Å; E347-T351 WeakPolarHBondContact O-CB 3.43Å; E347-T351 VanDerWaalsContact O-CG2 3.31Å; E347-T351 WeakPolarHBondContact O-CG2 3.5Å; E347-T351 PolarHBondContact O-N 2.84Å; E347-T351 PolarHBondContact O-OG1 3.23Å
348L95.5Very high95.6Very high118 Ų118100.8 Ų100.862%0.61849%0.492SS*.Hα-helixtrans-64.9-42.1175.6-75.6173.4000112.5F344 R345 T351 R352F344-L348 WeakPolarHBondContact O-CB 3.35Å; F344-L348 VanDerWaalsContact O-CG 3.31Å; F344-L348 WeakPolarHBondContact O-CG 3.35Å; F344-L348 PolarHBondContact O-N 3.42Å; R345-L348 PolarHBondContact O-N 3.2Å; L348-T351 WeakPolarHBondContact CA-OG1 3.37Å; L348-T351 PolarHBondContact O-OG1 2.62Å; L348-R352 VanDerWaalsContact O-CB 3.22Å; L348-R352 WeakPolarHBondContact O-CB 3.44Å; L348-R352 PolarHBondContact O-N 2.83Å
349D95.5Very high95.8Very high55 Ų55104.4 Ų104.429%0.29449%0.493SS..Hα-helixtrans-67.3-42.3177.4-77.6-33.4000111.1R345 R346 R352 E353R345-D349 PolarHBondContact O-N 3.43Å; R346-D349 PolarHBondContact O-N 2.9Å; D349-R352 PolarHBondContact O-N 2.85Å; D349-R352 IonicContact OD1-CZ 3.44Å; D349-E353 WeakPolarHBondContact O-CB 3.44Å; D349-E353 WeakPolarHBondContact O-CG 3.32Å; D349-E353 PolarHBondContact O-N 3.15Å
350S96.5Very high96Very high65 Ų65102.2 Ų102.246%0.45549%0.491SS..Hα-helixtrans-59.7-50.5175.2179.90000112.3R346 E347 R352 E353 E354R346-S350 VanDerWaalsContact O-CB 3.29Å; R346-S350 WeakPolarHBondContact O-CB 3.34Å; R346-S350 PolarHBondContact O-N 2.97Å; E347-S350 PolarHBondContact O-N 3.35Å; S350-R352 VanDerWaalsContact C-N 3.33Å; S350-R352 PolarHBondContact O-N 3.16Å; S350-E353 PolarHBondContact O-N 2.98Å; S350-E354 WeakPolarHBondContact O-CB 3.28Å; S350-E354 PolarHBondContact O-N 3.11Å
351T95.7Very high96.2Very high61 Ų61104.4 Ų104.437%0.37450%0.5SS..Hα-helixtrans-64.5-36.6178.252.10000112.2E347 L348 L355E347-T351 WeakPolarHBondContact O-CB 3.43Å; E347-T351 VanDerWaalsContact O-CG2 3.31Å; E347-T351 WeakPolarHBondContact O-CG2 3.5Å; E347-T351 PolarHBondContact O-N 2.84Å; E347-T351 PolarHBondContact O-OG1 3.23Å; L348-T351 WeakPolarHBondContact CA-OG1 3.37Å; L348-T351 PolarHBondContact O-OG1 2.62Å; T351-L355 WeakPolarHBondContact O-CB 3.15Å; T351-L355 PolarHBondContact O-N 2.58Å
352R97.3Very high96.5Very high145 Ų145104.4 Ų104.455%0.54750%0.498SS..Hα-helixtrans-63.1-46173.5-173.6-174.380.3178.91.2111.5L348 D349 S350 L355 N356L348-R352 VanDerWaalsContact O-CB 3.22Å; L348-R352 WeakPolarHBondContact O-CB 3.44Å; L348-R352 PolarHBondContact O-N 2.83Å; D349-R352 PolarHBondContact O-N 2.85Å; D349-R352 IonicContact OD1-CZ 3.44Å; S350-R352 VanDerWaalsContact C-N 3.33Å; S350-R352 PolarHBondContact O-N 3.16Å; R352-L355 PolarHBondContact O-N 3.25Å; R352-N356 VanDerWaalsContact O-CB 3.3Å; R352-N356 WeakPolarHBondContact O-CB 3.1Å; R352-N356 PolarHBondContact O-N 3.29Å; R352-N356 PolarHBondContact O-ND2 3.49Å
353E97Very high96.6Very high125 Ų125105.6 Ų105.658%0.58451%0.507SS*.Hα-helixtrans-64-45.3178.5-75.8177.7-174.300111.9D349 S350 L355 N356 A357D349-E353 WeakPolarHBondContact O-CB 3.44Å; D349-E353 WeakPolarHBondContact O-CG 3.32Å; D349-E353 PolarHBondContact O-N 3.15Å; S350-E353 PolarHBondContact O-N 2.98Å; E353-L355 PolarHBondContact O-N 3.12Å; E353-N356 PolarHBondContact O-N 2.77Å; E353-A357 WeakPolarHBondContact O-CB 3.48Å; E353-A357 PolarHBondContact O-N 3.31Å
354E97.6Very high96.9Very high96 Ų96109.1 Ų109.145%0.44952%0.518SS..Hα-helixtrans-60.2-46.2176.2-175.6177.8-165.300111.5S350 A357 R358S350-E354 WeakPolarHBondContact O-CB 3.28Å; S350-E354 PolarHBondContact O-N 3.11Å; E354-A357 PolarHBondContact O-N 2.92Å; E354-R358 WeakPolarHBondContact O-CG 3.31Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE1-CZ 3.08Å; E354-R358 VanDerWaalsContact OE1-CZ 3.3Å; E354-R358 IonicContact OE1-NE 2.74Å; E354-R358 PolarHBondContact OE1-NE 3.4Å; E354-R358 IonicContact OE1-NH2 2.91Å; E354-R358 PolarHBondContact OE1-NH2 3.3Å
355L97.4Very high97.1Very high82 Ų82108.9 Ų108.943%0.42952%0.517SS..Hα-helixtrans-64.3-43.9179.3-174.261.6000111.5T351 R352 E353 A357 R358 Y359T351-L355 WeakPolarHBondContact O-CB 3.15Å; T351-L355 PolarHBondContact O-N 2.58Å; R352-L355 PolarHBondContact O-N 3.25Å; E353-L355 PolarHBondContact O-N 3.12Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.4Å; L355-R358 PolarHBondContact O-N 2.9Å; L355-Y359 HydrophobicContact CD1-CD2 3.91Å; L355-Y359 HydrophobicContact CD1-CE2 3.39Å; L355-Y359 HydrophobicContact CD2-CE2 3.84Å; L355-Y359 HydrophobicContact CG-CD2 3.7Å; L355-Y359 HydrophobicContact CG-CE2 3.37Å; L355-Y359 WeakPolarHBondContact O-CD2 2.88Å; L355-Y359 PolarHBondContact O-N 2.94Å
356N97.9Very high97.3Very high92 Ų92105.6 Ų105.649%0.49251%0.509SS..Hα-helixtrans-61.5-41.3174.9-77-22.7000112R352 E353 Y359 A360R352-N356 VanDerWaalsContact O-CB 3.3Å; R352-N356 WeakPolarHBondContact O-CB 3.1Å; R352-N356 PolarHBondContact O-N 3.29Å; R352-N356 PolarHBondContact O-ND2 3.49Å; E353-N356 PolarHBondContact O-N 2.77Å; N356-Y359 PolarHBondContact O-N 2.98Å; N356-A360 VanDerWaalsContact O-CB 3.27Å; N356-A360 WeakPolarHBondContact O-CB 3.37Å; N356-A360 PolarHBondContact O-N 3.34Å
357A98.1Very high97.3Very high62 Ų62103.1 Ų103.151%0.51251%0.505SS..Hα-helixtrans-64-43.4176.500000111.6E353 E354 L355 A360 H361E353-A357 WeakPolarHBondContact O-CB 3.48Å; E353-A357 PolarHBondContact O-N 3.31Å; E354-A357 PolarHBondContact O-N 2.92Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.4Å; A357-A360 PolarHBondContact O-N 2.77Å; A357-H361 WeakPolarHBondContact O-CB 3.32Å; A357-H361 PolarHBondContact O-N 2.89Å
358R98Very high97.5Very high153 Ų153101.7 Ų101.758%0.57750%0.499SS*.Hα-helixtrans-61.3-47.4174.9-72.5175.7-176.7-167.52.6111.5E354 L355 H361 Q362E354-R358 WeakPolarHBondContact O-CG 3.31Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE1-CZ 3.08Å; E354-R358 VanDerWaalsContact OE1-CZ 3.3Å; E354-R358 IonicContact OE1-NE 2.74Å; E354-R358 PolarHBondContact OE1-NE 3.4Å; E354-R358 IonicContact OE1-NH2 2.91Å; E354-R358 PolarHBondContact OE1-NH2 3.3Å; L355-R358 PolarHBondContact O-N 2.9Å; R358-H361 PolarHBondContact O-N 2.62Å; R358-Q362 WeakPolarHBondContact O-CB 3.14Å; R358-Q362 PolarHBondContact O-N 3.31Å
359Y97.6Very high97.6Very high137 Ų137100.5 Ų100.554%0.53749%0.489SS..Hα-helixtrans-62.7-43.5176.5-79.2-56.3000112.3L355 N356 H361 Q362 L363L355-Y359 HydrophobicContact CD1-CD2 3.91Å; L355-Y359 HydrophobicContact CD1-CE2 3.39Å; L355-Y359 HydrophobicContact CD2-CE2 3.84Å; L355-Y359 HydrophobicContact CG-CD2 3.7Å; L355-Y359 HydrophobicContact CG-CE2 3.37Å; L355-Y359 WeakPolarHBondContact O-CD2 2.88Å; L355-Y359 PolarHBondContact O-N 2.94Å; N356-Y359 PolarHBondContact O-N 2.98Å; Y359-H361 VanDerWaalsContact C-N 3.34Å; Y359-H361 PolarHBondContact O-N 3.16Å; Y359-Q362 PolarHBondContact O-N 2.92Å; Y359-L363 VanDerWaalsContact O-CB 3.28Å; Y359-L363 WeakPolarHBondContact O-CB 3.34Å; Y359-L363 PolarHBondContact O-N 2.91Å
360A98Very high97.7Very high47 Ų47101.4 Ų101.439%0.38849%0.493SS..Hα-helixtrans-63-41177.200000111.9N356 A357 K364N356-A360 VanDerWaalsContact O-CB 3.27Å; N356-A360 WeakPolarHBondContact O-CB 3.37Å; N356-A360 PolarHBondContact O-N 3.34Å; A357-A360 PolarHBondContact O-N 2.77Å; A360-K364 WeakPolarHBondContact O-CB 3.44Å; A360-K364 WeakPolarHBondContact O-CG 3.42Å; A360-K364 PolarHBondContact O-N 3.37Å
361H98.2Very high97.8Very high134 Ų134104.8 Ų104.862%0.6250%0.499SS*.Hα-helixtrans-64.8-47.8175.3-178.8-92000111.6A357 R358 Y359 L363 K364 F365A357-H361 WeakPolarHBondContact O-CB 3.32Å; A357-H361 PolarHBondContact O-N 2.89Å; R358-H361 PolarHBondContact O-N 2.62Å; Y359-H361 VanDerWaalsContact C-N 3.34Å; Y359-H361 PolarHBondContact O-N 3.16Å; H361-L363 VanDerWaalsContact C-N 3.35Å; H361-L363 PolarHBondContact O-N 3.49Å; H361-K364 PolarHBondContact O-N 3.43Å; H361-F365 WeakPolarHBondContact O-CB 3.36Å; H361-F365 PolarHBondContact O-N 2.9Å
362Q98Very high97.9Very high111 Ų111105 Ų10552%0.51950%0.498SS..Hα-helixtrans-61.3-43178.3-172.3174.612.500111.8R358 Y359 F365 E366R358-Q362 WeakPolarHBondContact O-CB 3.14Å; R358-Q362 PolarHBondContact O-N 3.31Å; Y359-Q362 PolarHBondContact O-N 2.92Å; Q362-F365 PolarHBondContact O-N 3.43Å; Q362-E366 PolarHBondContact O-N 2.82Å
363L98Very high98Very high112 Ų112104.1 Ų104.159%0.58650%0.495SS*.Hα-helixtrans-63.2-43.9177-176.162.4000111.5Y359 H361 F365 E366 L367Y359-L363 VanDerWaalsContact O-CB 3.28Å; Y359-L363 WeakPolarHBondContact O-CB 3.34Å; Y359-L363 PolarHBondContact O-N 2.91Å; H361-L363 VanDerWaalsContact C-N 3.35Å; H361-L363 PolarHBondContact O-N 3.49Å; L363-F365 PolarHBondContact O-N 3.44Å; L363-E366 PolarHBondContact O-N 3.32Å; L363-L367 HydrophobicContact CD1-CD1 4.44Å; L363-L367 HydrophobicContact CD1-CG 4.4Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 VanDerWaalsContact O-CB 3.32Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.37Å; L363-L367 PolarHBondContact O-N 3.12Å
364K98Very high98Very high155 Ų155102.5 Ų102.567%0.67449%0.487SS*.Hα-helixtrans-60.6-44.2174.6-77176-178.61780111.8A360 H361 L367 Q368A360-K364 WeakPolarHBondContact O-CB 3.44Å; A360-K364 WeakPolarHBondContact O-CG 3.42Å; A360-K364 PolarHBondContact O-N 3.37Å; H361-K364 PolarHBondContact O-N 3.43Å; K364-L367 PolarHBondContact O-N 3.48Å; K364-Q368 WeakPolarHBondContact O-CB 3.46Å; K364-Q368 PolarHBondContact O-N 3.16Å
365F98.2Very high98Very high119 Ų119105.6 Ų105.652%0.52250%0.495SS..Hα-helixtrans-62.9-48.1179.2-178.9-96.8000112H361 Q362 L363 Q368 K369H361-F365 WeakPolarHBondContact O-CB 3.36Å; H361-F365 PolarHBondContact O-N 2.9Å; Q362-F365 PolarHBondContact O-N 3.43Å; L363-F365 PolarHBondContact O-N 3.44Å; F365-Q368 PolarHBondContact O-N 2.67Å; F365-K369 HydrophobicContact CE1-CD 4.19Å; F365-K369 WeakPolarHBondContact O-CB 3.38Å; F365-K369 PolarHBondContact O-N 3.21Å
366E98.1Very high98.1Very high84 Ų84108.3 Ų108.339%0.39350%0.503SS..Hα-helixtrans-66.2-38.9178.4-73.5-59.8149.500112.1Q362 L363 Q368 K369 L370Q362-E366 PolarHBondContact O-N 2.82Å; L363-E366 PolarHBondContact O-N 3.32Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.15Å; E366-K369 PolarHBondContact O-N 3.24Å; E366-K369 IonicContact OE1-NZ 2.7Å; E366-L370 VanDerWaalsContact O-CB 3.32Å; E366-L370 WeakPolarHBondContact O-CB 3.46Å; E366-L370 PolarHBondContact O-N 3.41Å
367L98.2Very high98Very high88 Ų88108.3 Ų108.346%0.46150%0.5SS..Hα-helixtrans-61.1-42.5173-76.7174.7000112L363 K364 K371L363-L367 HydrophobicContact CD1-CD1 4.44Å; L363-L367 HydrophobicContact CD1-CG 4.4Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 VanDerWaalsContact O-CB 3.32Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.37Å; L363-L367 PolarHBondContact O-N 3.12Å; K364-L367 PolarHBondContact O-N 3.48Å; L367-K371 WeakPolarHBondContact O-CB 3.25Å; L367-K371 VanDerWaalsContact O-CG 3.28Å; L367-K371 WeakPolarHBondContact O-CG 3.45Å; L367-K371 PolarHBondContact O-N 3.19Å
368Q97.9Very high98Very high95 Ų95109.8 Ų109.844%0.44450%0.499SS..Hα-helixtrans-66.7-46178.2-174.85639.800111.3K364 F365 E366 L370 K371 D372K364-Q368 WeakPolarHBondContact O-CB 3.46Å; K364-Q368 PolarHBondContact O-N 3.16Å; F365-Q368 PolarHBondContact O-N 2.67Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.15Å; Q368-L370 VanDerWaalsContact C-N 3.31Å; Q368-L370 PolarHBondContact O-N 3.09Å; Q368-K371 WeakPolarHBondContact O-CB 3.23Å; Q368-K371 PolarHBondContact O-N 3.29Å; Q368-K371 VanDerWaalsContact O-N 3.17Å; Q368-D372 VanDerWaalsContact NE2-CG 3.28Å; Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 PolarHBondContact NE2-OD2 3.17Å; Q368-D372 PolarHBondContact O-N 3.23Å
369K98.2Very high98Very high93 Ų93106.1 Ų106.140%0.40449%0.491SS..Hα-helixtrans-59.1-40.6176.4-175.5-179.5177-172.40112.3F365 E366 R373F365-K369 HydrophobicContact CE1-CD 4.19Å; F365-K369 WeakPolarHBondContact O-CB 3.38Å; F365-K369 PolarHBondContact O-N 3.21Å; E366-K369 PolarHBondContact O-N 3.24Å; E366-K369 IonicContact OE1-NZ 2.7Å; K369-R373 WeakPolarHBondContact O-CB 3.47Å; K369-R373 PolarHBondContact O-N 3.32Å
370L98.3Very high97.9Very high74 Ų74105.4 Ų105.439%0.38749%0.492SS..Hα-helixtrans-66.6-44.3175.5-173.263.9000111.5E366 Q368 D372 R373 H374E366-L370 VanDerWaalsContact O-CB 3.32Å; E366-L370 WeakPolarHBondContact O-CB 3.46Å; E366-L370 PolarHBondContact O-N 3.41Å; Q368-L370 VanDerWaalsContact C-N 3.31Å; Q368-L370 PolarHBondContact O-N 3.09Å; L370-D372 PolarHBondContact O-N 2.81Å; L370-R373 PolarHBondContact O-N 3.29Å; L370-H374 PolarHBondContact O-N 3.44Å
371K98.1Very high97.8Very high135 Ų135106.9 Ų106.959%0.58749%0.493SS*.Hα-helixtrans-59-44.2174.7-77.4175-179.2-179.50112.1L367 Q368 H374 R375L367-K371 WeakPolarHBondContact O-CB 3.25Å; L367-K371 VanDerWaalsContact O-CG 3.28Å; L367-K371 WeakPolarHBondContact O-CG 3.45Å; L367-K371 PolarHBondContact O-N 3.19Å; Q368-K371 WeakPolarHBondContact O-CB 3.23Å; Q368-K371 PolarHBondContact O-N 3.29Å; Q368-K371 VanDerWaalsContact O-N 3.17Å; K371-H374 PolarHBondContact O-N 2.65Å; K371-R375 WeakPolarHBondContact O-CB 3.41Å; K371-R375 PolarHBondContact O-N 3.33Å
372D98.2Very high97.7Very high66 Ų66108 Ų10835%0.35350%0.496SS..Hα-helixtrans-69.5-36.1179.9-68-27.6000111.9Q368 L370 R375 K376Q368-D372 VanDerWaalsContact NE2-CG 3.28Å; Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 PolarHBondContact NE2-OD2 3.17Å; Q368-D372 PolarHBondContact O-N 3.23Å; L370-D372 PolarHBondContact O-N 2.81Å; D372-R375 PolarHBondContact O-N 3.02Å; D372-K376 WeakPolarHBondContact O-CG 3.45Å; D372-K376 PolarHBondContact O-N 2.76Å
373R98Very high97.6Very high126 Ų126110.8 Ų110.848%0.47551%0.507SS..Hα-helixtrans-63.2-49.7172.5-172.7-173.9-59.8162.22.2111.4K369 L370 R375 K376 Q377K369-R373 WeakPolarHBondContact O-CB 3.47Å; K369-R373 PolarHBondContact O-N 3.32Å; L370-R373 PolarHBondContact O-N 3.29Å; R373-R375 VanDerWaalsContact C-N 3.31Å; R373-R375 PolarHBondContact O-N 2.91Å; R373-K376 PolarHBondContact O-N 3.4Å; R373-Q377 WeakPolarHBondContact O-CG 3.19Å; R373-Q377 PolarHBondContact O-N 2.96Å
374H98.3Very high97.5Very high91 Ų91109.6 Ų109.642%0.42150%0.497SS..Hα-helixtrans-62.6-38.5177.6-70.2171.9000111.7L370 K371 Q377 L378L370-H374 PolarHBondContact O-N 3.44Å; K371-H374 PolarHBondContact O-N 2.65Å; H374-Q377 PolarHBondContact CD2-OE1 2.74Å; H374-Q377 PolarHBondContact O-N 3.47Å; H374-L378 WeakPolarHBondContact O-CB 3.13Å; H374-L378 VanDerWaalsContact O-CG 3.29Å; H374-L378 WeakPolarHBondContact O-CG 3.26Å; H374-L378 PolarHBondContact O-N 2.8Å
375R98.2Very high97.4Very high161 Ų161108 Ų10861%0.60849%0.492SS*.Hα-helixtrans-59.1-48.6174.5-176.6-179.8-63.9-87.8-0.7111.6K371 D372 R373 L378 D379K371-R375 WeakPolarHBondContact O-CB 3.41Å; K371-R375 PolarHBondContact O-N 3.33Å; D372-R375 PolarHBondContact O-N 3.02Å; R373-R375 VanDerWaalsContact C-N 3.31Å; R373-R375 PolarHBondContact O-N 2.91Å; R375-L378 PolarHBondContact O-N 3.35Å; R375-D379 VanDerWaalsContact O-CG 3.29Å; R375-D379 PolarHBondContact O-N 3.3Å
376K97.8Very high97.3Very high139 Ų139106.6 Ų106.660%0.60448%0.483SS*.Hα-helixtrans-61.5-44.2177.4-72.3176.1-179-177.70112.4D372 R373 L378 D379 E380D372-K376 WeakPolarHBondContact O-CG 3.45Å; D372-K376 PolarHBondContact O-N 2.76Å; R373-K376 PolarHBondContact O-N 3.4Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.21Å; K376-D379 PolarHBondContact O-N 3.09Å; K376-E380 WeakPolarHBondContact O-CG 3.42Å; K376-E380 PolarHBondContact O-N 3.49Å
377Q97.1Very high97.2Very high92 Ų92102.7 Ų102.743%0.4347%0.465SS..Hα-helixtrans-60.3-42.4175.3-73.2174.7-30.300111.6R373 H374 E380 I381R373-Q377 WeakPolarHBondContact O-CG 3.19Å; R373-Q377 PolarHBondContact O-N 2.96Å; H374-Q377 PolarHBondContact CD2-OE1 2.74Å; H374-Q377 PolarHBondContact O-N 3.47Å; Q377-E380 PolarHBondContact O-N 2.87Å; Q377-I381 WeakPolarHBondContact O-CB 3.43Å; Q377-I381 WeakPolarHBondContact O-CD1 3.24Å; Q377-I381 WeakPolarHBondContact O-CG1 3.29Å; Q377-I381 PolarHBondContact O-N 3.08Å
378L97.5Very high97.1Very high94 Ų94105 Ų10549%0.49247%0.468SS..Hα-helixtrans-64.3-39.8175.2-73.3172.8000112.2H374 R375 K376 I381 K382H374-L378 WeakPolarHBondContact O-CB 3.13Å; H374-L378 VanDerWaalsContact O-CG 3.29Å; H374-L378 WeakPolarHBondContact O-CG 3.26Å; H374-L378 PolarHBondContact O-N 2.8Å; R375-L378 PolarHBondContact O-N 3.35Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.21Å; L378-I381 PolarHBondContact O-N 2.82Å; L378-K382 WeakPolarHBondContact O-CB 3.39Å; L378-K382 WeakPolarHBondContact O-CG 3.19Å; L378-K382 PolarHBondContact O-N 3.14Å
379D97.9Very high97Very high75 Ų75103.6 Ų103.640%0.40146%0.462SS..Hα-helixtrans-67.4-38.7177.4-67.8-23.4000111.8R375 K376 K383R375-D379 VanDerWaalsContact O-CG 3.29Å; R375-D379 PolarHBondContact O-N 3.3Å; K376-D379 PolarHBondContact O-N 3.09Å; D379-K383 WeakPolarHBondContact O-CD 3Å; D379-K383 VanDerWaalsContact O-CG 3.25Å; D379-K383 WeakPolarHBondContact O-CG 3.33Å; D379-K383 PolarHBondContact O-N 2.63Å
380E96.4Very high96.9Very high122 Ų122101.7 Ų101.757%0.5746%0.46SS*.Hα-helixtrans-64.7-43172-73.7169.7-168.700111.4K376 Q377 K383K376-E380 WeakPolarHBondContact O-CG 3.42Å; K376-E380 PolarHBondContact O-N 3.49Å; Q377-E380 PolarHBondContact O-N 2.87Å; E380-K383 PolarHBondContact O-N 3.2Å
381I95.5Very high96.8Very high79 Ų79106 Ų10641%0.40548%0.478SS..Hα-helixtrans-62.9-48.2178.1-73.7165.8000110Q377 L378 K383 K384 W386Q377-I381 WeakPolarHBondContact O-CB 3.43Å; Q377-I381 WeakPolarHBondContact O-CD1 3.24Å; Q377-I381 WeakPolarHBondContact O-CG1 3.29Å; Q377-I381 PolarHBondContact O-N 3.08Å; L378-I381 PolarHBondContact O-N 2.82Å; I381-K383 PolarHBondContact O-N 3.19Å; I381-K383 VanDerWaalsContact O-N 3.13Å; I381-K384 PolarHBondContact O-N 3.39Å; I381-W386 HydrophobicContact CB-CZ2 3.92Å; I381-W386 HydrophobicContact CG1-CH2 4.28Å; I381-W386 HydrophobicContact CG1-CZ2 4.01Å; I381-W386 HydrophobicContact CG2-CH2 4.43Å; I381-W386 HydrophobicContact CG2-CZ2 3.62Å; I381-W386 WeakPolarHBondContact O-CZ2 3.43Å; I381-W386 PolarHBondContact O-NE1 3.32Å
382K95.4Very high96.8Very high157 Ų157102.5 Ų102.568%0.68347%0.47SS*.Hα-helixtrans-63.9-18.5-179.7-75173.2179.7-178.50114.6L378 K384L378-K382 WeakPolarHBondContact O-CB 3.39Å; L378-K382 WeakPolarHBondContact O-CG 3.19Å; L378-K382 PolarHBondContact O-N 3.14Å; K382-K384 VanDerWaalsContact C-N 3.34Å
383K95.8Very high96.7Very high170 Ų170104.1 Ų104.174%0.73948%0.476SS*.THydrogen-bonded Turntrans-80.4-15.3175.8-75.1168.3-174.8176.90113.2D379 E380 I381D379-K383 WeakPolarHBondContact O-CD 3Å; D379-K383 VanDerWaalsContact O-CG 3.25Å; D379-K383 WeakPolarHBondContact O-CG 3.33Å; D379-K383 PolarHBondContact O-N 2.63Å; E380-K383 PolarHBondContact O-N 3.2Å; I381-K383 PolarHBondContact O-N 3.19Å; I381-K383 VanDerWaalsContact O-N 3.13Å
384K95.6Very high96.7Very high87 Ų8798.9 Ų98.938%0.37846%0.459SS..SBendtrans-100.9159.2-179.2-64.7-179.1169-158.60111.4I381 K382 W386 E393I381-K384 PolarHBondContact O-N 3.39Å; K382-K384 VanDerWaalsContact C-N 3.34Å; K384-W386 HydrophobicContact CB-CH2 4.48Å; K384-W386 HydrophobicContact CB-CZ2 3.64Å; K384-W386 HydrophobicContact CD-CH2 4.11Å; K384-W386 HydrophobicContact CD-CZ2 3.92Å; K384-W386 HydrophobicContact CG-CZ2 4.32Å; K384-W386 PolarHBondContact O-NE1 3.49Å; K384-E393 HydrophobicContact CD-CG 4.4Å; K384-E393 WeakPolarHBondContact CD-OE1 3.18Å; K384-E393 WeakPolarHBondContact CE-OE1 3.38Å; K384-E393 IonicContact NZ-OE1 3.6Å; K384-E393 PolarHBondContact NZ-OE1 3.26Å; K384-E393 IonicContact NZ-OE2 3.15Å; K384-E393 PolarHBondContact NZ-OE2 3Å
385Q95.9Very high96.6Very high121 Ų121100.3 Ų100.357%0.56547%0.469SS*.  trans-90.5143.5167.7-63.1-59.9-49.800109.1A394Q385-A394 HydrophobicContact CB-CB 4.18Å; Q385-A394 PolarHBondContact O-N 2.97Å
386W96.6Very high96.4Very high89 Ų8997.8 Ų97.834%0.33746%0.46SS..BIsolated β-bridgetrans-121.6141.6-173-60.594.3000111.4I381 K384 Y388I381-W386 HydrophobicContact CB-CZ2 3.92Å; I381-W386 HydrophobicContact CG1-CH2 4.28Å; I381-W386 HydrophobicContact CG1-CZ2 4.01Å; I381-W386 HydrophobicContact CG2-CH2 4.43Å; I381-W386 HydrophobicContact CG2-CZ2 3.62Å; I381-W386 WeakPolarHBondContact O-CZ2 3.43Å; I381-W386 PolarHBondContact O-NE1 3.32Å; K384-W386 HydrophobicContact CB-CH2 4.48Å; K384-W386 HydrophobicContact CB-CZ2 3.64Å; K384-W386 HydrophobicContact CD-CH2 4.11Å; K384-W386 HydrophobicContact CD-CZ2 3.92Å; K384-W386 HydrophobicContact CG-CZ2 4.32Å; K384-W386 PolarHBondContact O-NE1 3.49Å; W386-Y388 PolarHBondContact O-N 2.94Å
387C97.4Very high96.3Very high2 Ų298.5 Ų98.51%0.01446%0.46CS..BIsolated β-bridgetrans-68.7124174.5-178.60000108.9Q389 C390 E391 S392 S403 C405C387-Q389 PolarHBondContact O-N 3.01Å; C387-Q389 PolarHBondContact SG-N 3.37Å; C387-C390 VanDerWaalsContact SG-SG 3.64Å; C387-E391 WeakPolarHBondContact O-CA 3.22Å; C387-E391 PolarHBondContact O-N 3.48Å; C387-S392 VanDerWaalsContact CB-O 3.31Å; C387-S392 WeakPolarHBondContact CB-O 3.25Å; C387-S392 PolarHBondContact N-O 3.4Å; C387-S403 CarbonylContact C-O 3.58Å; C387-S403 VanDerWaalsContact CA-O 3.29Å; C387-S403 WeakPolarHBondContact CA-O 3.47Å; C387-C405 HydrophobicContact CB-CB 3.91Å; C387-C405 PolarHBondContact SG-N 3.48Å; C387-C405 VanDerWaalsContact SG-N 3.4Å
388Y95.9Very high96.1Very high136 Ų13694.2 Ų94.253%0.53344%0.44SS..THydrogen-bonded Turntrans-59.1-33.7177.5-174.2-83.1000112.4W386 S403 H413W386-Y388 PolarHBondContact O-N 2.94Å; Y388-S403 PolarHBondContact N-O 3.41Å; Y388-H413 AromaticContact CD1-CD2 3.68Å; Y388-H413 AromaticContact CD1-CE1 3.13Å; Y388-H413 WeakPolarHBondContact CD1-CE1 3.5Å; Y388-H413 AromaticContact CD1-CG 3.7Å; Y388-H413 AromaticContact CD1-ND1 3.35Å; Y388-H413 VanDerWaalsContact CD1-ND1 3.35Å; Y388-H413 WeakPolarHBondContact CD1-ND1 3.44Å; Y388-H413 AromaticContact CD1-NE2 3.41Å; Y388-H413 WeakPolarHBondContact CD1-NE2 3.5Å; Y388-H413 AromaticContact CE1-CD2 3.57Å; Y388-H413 AromaticContact CE1-CE1 3.23Å; Y388-H413 WeakPolarHBondContact CE1-CE1 3.42Å; Y388-H413 AromaticContact CE1-ND1 3.87Å; Y388-H413 AromaticContact CE1-NE2 3.04Å; Y388-H413 WeakPolarHBondContact CE1-NE2 3.25Å; Y388-H413 AromaticContact CG-CE1 3.74Å; Y388-H413 AromaticContact CG-ND1 3.94Å; Y388-H413 AromaticContact CZ-CE1 3.88Å; Y388-H413 AromaticContact CZ-NE2 3.79Å
389Q95.7Very high96Very high67 Ų6790 Ų9031%0.31342%0.418SS..THydrogen-bonded Turntrans-81.3-46-173-175.860.420.500113.5C387 C409 E412C387-Q389 PolarHBondContact O-N 3.01Å; C387-Q389 PolarHBondContact SG-N 3.37Å; Q389-C409 HydrophobicContact CB-CB 3.94Å; Q389-C409 HydrophobicContact CG-CB 4.26Å; Q389-E412 PolarHBondContact NE2-OE2 3.11Å
390C96.3Very high95.7Very high53 Ų5395.7 Ų95.736%0.35843%0.434SS..THydrogen-bonded Turntrans-123.45-169.470.60000114.6C387 S392 C405C387-C390 VanDerWaalsContact SG-SG 3.64Å; C390-S392 PolarHBondContact O-N 3.33Å; C390-S392 VanDerWaalsContact SG-CB 3.58Å; C390-C405 PolarHBondContact SG-SG 3.47Å
391E96.2Very high95.5Very high163 Ų16396.4 Ų96.476%0.76244%0.442SS*.  trans58.412.8179.4-52.5-176.7161.700114.8C387C387-E391 WeakPolarHBondContact O-CA 3.22Å; C387-E391 PolarHBondContact O-N 3.48Å
392S96.5Very high95.5Very high62 Ų6293.3 Ų93.343%0.43443%0.427SS..SBendtrans-80.1162.9170.3-61.10000111.1C387 C390 A394C387-S392 VanDerWaalsContact CB-O 3.31Å; C387-S392 WeakPolarHBondContact CB-O 3.25Å; C387-S392 PolarHBondContact N-O 3.4Å; C390-S392 PolarHBondContact O-N 3.33Å; C390-S392 VanDerWaalsContact SG-CB 3.58Å; S392-A394 PolarHBondContact O-N 3.13Å
393E97.2Very high95.6Very high101 Ų10186.1 Ų86.147%0.47240%0.396SS..BIsolated β-bridgetrans-58124.3178.4-174.8161.4-16900110.9K384 C405K384-E393 HydrophobicContact CD-CG 4.4Å; K384-E393 WeakPolarHBondContact CD-OE1 3.18Å; K384-E393 WeakPolarHBondContact CE-OE1 3.38Å; K384-E393 IonicContact NZ-OE1 3.6Å; K384-E393 PolarHBondContact NZ-OE1 3.26Å; K384-E393 IonicContact NZ-OE2 3.15Å; K384-E393 PolarHBondContact NZ-OE2 3Å; E393-C405 VanDerWaalsContact O-CB 3.28Å; E393-C405 WeakPolarHBondContact O-CB 3.47Å
394A97.3Very high95.7Very high15 Ų1578 Ų7812%0.12436%0.361CS..PPolyproline II helixtrans-85.5140.3-177.300000112Q385 S392 Y404Q385-A394 HydrophobicContact CB-CB 4.18Å; Q385-A394 PolarHBondContact O-N 2.97Å; S392-A394 PolarHBondContact O-N 3.13Å; A394-Y404 WeakPolarHBondContact CA-O 3.27Å; A394-Y404 WeakPolarHBondContact CB-O 3.17Å
395I96.2Very high95.8Very high121 Ų12175.4 Ų75.462%0.62135%0.353SS*.  trans-118.6-12.4175.458.8168000112.7Y404 C405I395-Y404 PolarHBondContact N-O 3.47Å; I395-C405 WeakPolarHBondContact CD1-O 3.43Å; I395-C405 VanDerWaalsContact CG1-O 3.23Å; I395-C405 WeakPolarHBondContact CG1-O 3.28Å
396Y94.8Very high95.9Very high109 Ų10970.9 Ų70.943%0.42734%0.335SS..EExtended strand (participates in β ladder)trans-114.3118.5177.8-58.7-71000111S403 Y404Y396-S403 CarbonylContact O-C 3.58Å; Y396-S403 WeakPolarHBondContact O-CA 3.2Å; Y396-Y404 PolarHBondContact N-O 3.24Å; Y396-Y404 PolarHBondContact O-N 2.82Å
397Y95Very high95.8Very high154 Ų15469.7 Ų69.760%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-83.3132.8172.3174-104.3000111.1C399 W400Y397-C399 VanDerWaalsContact CE2-C 3.47Å; Y397-C399 VanDerWaalsContact CE2-O 3.23Å; Y397-C399 WeakPolarHBondContact CE2-O 3.47Å; Y397-C399 VanDerWaalsContact OH-C 3.26Å; Y397-C399 WeakPolarHBondContact OH-CA 3.43Å; Y397-W400 PolarHBondContact OH-N 3.01Å
398C94.1Very high95.8Very high2 Ų275.6 Ų75.61%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-105.6-64.9173.8-168.80000111.6T402 Y404 C421C398-T402 HydrophobicContact CB-CG2 4.47Å; C398-T402 WeakPolarHBondContact CB-O 3.47Å; C398-T402 PolarHBondContact N-O 3.26Å; C398-T402 VanDerWaalsContact N-O 3.13Å; C398-Y404 HydrophobicContact CB-CD2 4.11Å; C398-Y404 HydrophobicContact CB-CE2 3.7Å; C398-C421 VanDerWaalsContact SG-SG 3.7Å
399C94.2Very high95.9Very high4 Ų469.8 Ų69.83%0.02734%0.344CS..EExtended strand (participates in β ladder)trans-157.4-177.1177.569.60000111.7Y397 N401 T402 H417 R422Y397-C399 VanDerWaalsContact CE2-C 3.47Å; Y397-C399 VanDerWaalsContact CE2-O 3.23Å; Y397-C399 WeakPolarHBondContact CE2-O 3.47Å; Y397-C399 VanDerWaalsContact OH-C 3.26Å; Y397-C399 WeakPolarHBondContact OH-CA 3.43Å; C399-N401 PolarHBondContact O-N 3.44Å; C399-T402 PolarHBondContact N-O 2.94Å; C399-T402 VanDerWaalsContact N-O 3.17Å; C399-T402 PolarHBondContact O-N 3.08Å; C399-T402 VanDerWaalsContact O-O 3.06Å; C399-H417 VanDerWaalsContact SG-CE1 3.52Å; C399-R422 HydrophobicContact CB-CB 3.97Å; C399-R422 PolarHBondContact SG-N 2.98Å; C399-R422 VanDerWaalsContact SG-N 3.44Å
400W91.8Very high95.9Very high196 Ų19668.7 Ų68.774%0.74234%0.339SS*.THydrogen-bonded Turntrans-51.3124.3177.6-179.9-94.4000111.1Y397 T402Y397-W400 PolarHBondContact OH-N 3.01Å; W400-T402 VanDerWaalsContact C-N 3.29Å; W400-T402 PolarHBondContact O-N 2.73Å
401N92.7Very high95.9Very high137 Ų13772.4 Ų72.473%0.73335%0.351SS*.THydrogen-bonded Turntrans64.420.4-177.5-158.254.9000115.7C399C399-N401 PolarHBondContact O-N 3.44Å
402T95.8Very high95.9Very high13 Ų1371.1 Ų71.18%0.0835%0.345CS..EExtended strand (participates in β ladder)trans-145.3118.5174.7-48.50000112.2C398 C399 W400 Y404 H417C398-T402 HydrophobicContact CB-CG2 4.47Å; C398-T402 WeakPolarHBondContact CB-O 3.47Å; C398-T402 PolarHBondContact N-O 3.26Å; C398-T402 VanDerWaalsContact N-O 3.13Å; C399-T402 PolarHBondContact N-O 2.94Å; C399-T402 VanDerWaalsContact N-O 3.17Å; C399-T402 PolarHBondContact O-N 3.08Å; C399-T402 VanDerWaalsContact O-O 3.06Å; W400-T402 VanDerWaalsContact C-N 3.29Å; W400-T402 PolarHBondContact O-N 2.73Å; T402-Y404 HydrophobicContact CG2-CE1 4.34Å; T402-Y404 HydrophobicContact CG2-CE2 3.9Å; T402-Y404 WeakPolarHBondContact CG2-OH 3.48Å; T402-H417 PolarHBondContact OG1-CE1 3.48Å; T402-H417 VanDerWaalsContact OG1-CE1 3.31Å
403S97Very high95.8Very high7 Ų768.7 Ų68.75%0.04933%0.327CS..EExtended strand (participates in β ladder)trans-137.2160.1177.4-58.40000109.6C387 Y388 Y396C387-S403 CarbonylContact C-O 3.58Å; C387-S403 VanDerWaalsContact CA-O 3.29Å; C387-S403 WeakPolarHBondContact CA-O 3.47Å; Y388-S403 PolarHBondContact N-O 3.41Å; Y396-S403 CarbonylContact O-C 3.58Å; Y396-S403 WeakPolarHBondContact O-CA 3.2Å
404Y97.8Very high95.7Very high0 Ų068.7 Ų68.70%032%0.323CS..EExtended strand (participates in β ladder)trans-134.1150.9-178.5-56.5-78.3000112.3A394 I395 Y396 C398 T402 C409 Q410 H413 H417A394-Y404 WeakPolarHBondContact CA-O 3.27Å; A394-Y404 WeakPolarHBondContact CB-O 3.17Å; I395-Y404 PolarHBondContact N-O 3.47Å; Y396-Y404 PolarHBondContact N-O 3.24Å; Y396-Y404 PolarHBondContact O-N 2.82Å; C398-Y404 HydrophobicContact CB-CD2 4.11Å; C398-Y404 HydrophobicContact CB-CE2 3.7Å; T402-Y404 HydrophobicContact CG2-CE1 4.34Å; T402-Y404 HydrophobicContact CG2-CE2 3.9Å; T402-Y404 WeakPolarHBondContact CG2-OH 3.48Å; Y404-C409 HydrophobicContact CD1-CB 4.32Å; Y404-Q410 HydrophobicContact CD1-CB 4.12Å; Y404-Q410 HydrophobicContact CD2-CB 3.61Å; Y404-Q410 HydrophobicContact CD2-CG 3.73Å; Y404-Q410 HydrophobicContact CE1-CB 4.38Å; Y404-Q410 HydrophobicContact CE2-CB 3.9Å; Y404-Q410 HydrophobicContact CE2-CG 3.59Å; Y404-Q410 HydrophobicContact CG-CB 3.73Å; Y404-Q410 HydrophobicContact CG-CG 4.35Å; Y404-H413 HydrophobicContact CE1-CB 3.81Å; Y404-H413 AromaticContact CE1-ND1 3.59Å; Y404-H413 AromaticContact CZ-ND1 3.63Å; Y404-H413 PolarHBondContact OH-ND1 3.46Å; Y404-H417 PolarHBondContact OH-CD2 3.48Å
405C97.2Very high95.5Very high31 Ų3173.9 Ų73.921%0.20934%0.344CS..SBendtrans-84.6-23.217366.90000112.6C387 C390 E393 I395C387-C405 HydrophobicContact CB-CB 3.91Å; C387-C405 PolarHBondContact SG-N 3.48Å; C387-C405 VanDerWaalsContact SG-N 3.4Å; C390-C405 PolarHBondContact SG-SG 3.47Å; E393-C405 VanDerWaalsContact O-CB 3.28Å; E393-C405 WeakPolarHBondContact O-CB 3.47Å; I395-C405 WeakPolarHBondContact CD1-O 3.43Å; I395-C405 VanDerWaalsContact CG1-O 3.23Å; I395-C405 WeakPolarHBondContact CG1-O 3.28Å
406S97.4Very high95.4Very high27 Ų2773 Ų7319%0.18934%0.344CS..SBendtrans-151164.9-177.991.20000111.5E408 C409 Q410S406-E408 VanDerWaalsContact C-N 3.29Å; S406-E408 WeakPolarHBondContact CB-OE2 3.4Å; S406-E408 PolarHBondContact OG-N 3.33Å; S406-E408 PolarHBondContact OG-OE2 2.85Å; S406-C409 PolarHBondContact OG-N 2.96Å; S406-Q410 PolarHBondContact O-N 2.8Å
407V95.7Very high95.4Very high63 Ų6367.9 Ų67.938%0.38233%0.325SS..Hα-helixtrans-69.6-33176.6178.70000110.5Q410 Q411V407-Q410 WeakPolarHBondContact O-CB 3.33Å; V407-Q410 PolarHBondContact O-N 2.95Å; V407-Q410 VanDerWaalsContact O-N 3.16Å; V407-Q411 HydrophobicContact CG1-CG 4.36Å; V407-Q411 WeakPolarHBondContact O-CG 3.38Å; V407-Q411 PolarHBondContact O-N 3.03Å
408E97.5Very high95.3Very high126 Ų12667.6 Ų67.659%0.58932%0.323SS*.Hα-helixtrans-61.6-47.3176.6-57.570.8-151.200110.5S406 Q410 Q411 E412S406-E408 VanDerWaalsContact C-N 3.29Å; S406-E408 WeakPolarHBondContact CB-OE2 3.4Å; S406-E408 PolarHBondContact OG-N 3.33Å; S406-E408 PolarHBondContact OG-OE2 2.85Å; E408-Q410 VanDerWaalsContact C-N 3.26Å; E408-Q410 PolarHBondContact O-N 3.49Å; E408-Q411 PolarHBondContact O-N 3.5Å; E408-E412 PolarHBondContact O-N 3.48Å
409C97.7Very high95.2Very high15 Ų1571.9 Ų71.910%0.10136%0.358CS..Hα-helixtrans-60.8-35.6174.5-790000112.4Q389 Y404 S406 H413Q389-C409 HydrophobicContact CB-CB 3.94Å; Q389-C409 HydrophobicContact CG-CB 4.26Å; Y404-C409 HydrophobicContact CD1-CB 4.32Å; S406-C409 PolarHBondContact OG-N 2.96Å; C409-H413 PolarHBondContact O-N 2.88Å
410Q96.1Very high95.2Very high43 Ų4376.4 Ų76.420%0.20139%0.385CS..Hα-helixtrans-67.3-43.5175.4179.4176-700111.7Y404 S406 V407 E408 W414Y404-Q410 HydrophobicContact CD1-CB 4.12Å; Y404-Q410 HydrophobicContact CD2-CB 3.61Å; Y404-Q410 HydrophobicContact CD2-CG 3.73Å; Y404-Q410 HydrophobicContact CE1-CB 4.38Å; Y404-Q410 HydrophobicContact CE2-CB 3.9Å; Y404-Q410 HydrophobicContact CE2-CG 3.59Å; Y404-Q410 HydrophobicContact CG-CB 3.73Å; Y404-Q410 HydrophobicContact CG-CG 4.35Å; S406-Q410 PolarHBondContact O-N 2.8Å; V407-Q410 WeakPolarHBondContact O-CB 3.33Å; V407-Q410 PolarHBondContact O-N 2.95Å; V407-Q410 VanDerWaalsContact O-N 3.16Å; E408-Q410 VanDerWaalsContact C-N 3.26Å; E408-Q410 PolarHBondContact O-N 3.49Å; Q410-W414 WeakPolarHBondContact O-CA 3.29Å; Q410-W414 WeakPolarHBondContact O-CB 3.15Å; Q410-W414 PolarHBondContact O-N 3.5Å
411Q95.7Very high95.3Very high132 Ų13268.5 Ų68.562%0.61736%0.36SS*.Hα-helixtrans-65.2-40.5179.4-72.2174.35.400111.4V407 E408 W414V407-Q411 HydrophobicContact CG1-CG 4.36Å; V407-Q411 WeakPolarHBondContact O-CG 3.38Å; V407-Q411 PolarHBondContact O-N 3.03Å; E408-Q411 PolarHBondContact O-N 3.5Å; Q411-W414 VanDerWaalsContact O-CB 3.29Å; Q411-W414 WeakPolarHBondContact O-CB 3.19Å; Q411-W414 PolarHBondContact O-N 3.32Å
412E96.1Very high95.3Very high136 Ų13671.1 Ų71.164%0.63636%0.359SS*.Hα-helixtrans-63.9-43.3178.2-166.7178.9-169.800112.2Q389 E408 W414Q389-E412 PolarHBondContact NE2-OE2 3.11Å; E408-E412 PolarHBondContact O-N 3.48Å; E412-W414 VanDerWaalsContact C-N 3.3Å; E412-W414 PolarHBondContact O-N 3.12Å
413H95.4Very high94.9Very high11 Ų1177.2 Ų77.25%0.05138%0.381CS..Hα-helixtrans-79.4-9.2176-175.3-133.8000113.6Y388 Y404 C409 E415 T416 H417Y388-H413 AromaticContact CD1-CD2 3.68Å; Y388-H413 AromaticContact CD1-CE1 3.13Å; Y388-H413 WeakPolarHBondContact CD1-CE1 3.5Å; Y388-H413 AromaticContact CD1-CG 3.7Å; Y388-H413 AromaticContact CD1-ND1 3.35Å; Y388-H413 VanDerWaalsContact CD1-ND1 3.35Å; Y388-H413 WeakPolarHBondContact CD1-ND1 3.44Å; Y388-H413 AromaticContact CD1-NE2 3.41Å; Y388-H413 WeakPolarHBondContact CD1-NE2 3.5Å; Y388-H413 AromaticContact CE1-CD2 3.57Å; Y388-H413 AromaticContact CE1-CE1 3.23Å; Y388-H413 WeakPolarHBondContact CE1-CE1 3.42Å; Y388-H413 AromaticContact CE1-ND1 3.87Å; Y388-H413 AromaticContact CE1-NE2 3.04Å; Y388-H413 WeakPolarHBondContact CE1-NE2 3.25Å; Y388-H413 AromaticContact CG-CE1 3.74Å; Y388-H413 AromaticContact CG-ND1 3.94Å; Y388-H413 AromaticContact CZ-CE1 3.88Å; Y388-H413 AromaticContact CZ-NE2 3.79Å; Y404-H413 HydrophobicContact CE1-CB 3.81Å; Y404-H413 AromaticContact CE1-ND1 3.59Å; Y404-H413 AromaticContact CZ-ND1 3.63Å; Y404-H413 PolarHBondContact OH-ND1 3.46Å; C409-H413 PolarHBondContact O-N 2.88Å; H413-E415 VanDerWaalsContact C-N 3.34Å; H413-E415 PolarHBondContact O-N 2.97Å; H413-T416 PolarHBondContact CD2-OG1 3.17Å; H413-T416 PolarHBondContact NE2-OG1 2.9Å; H413-T416 PolarHBondContact O-N 3.39Å; H413-T416 PolarHBondContact O-OG1 2.89Å; H413-T416 VanDerWaalsContact O-OG1 3.12Å; H413-H417 VanDerWaalsContact CE1-CB 3.47Å; H413-H417 WeakPolarHBondContact CE1-CB 3.38Å; H413-H417 AromaticContact CE1-CG 3.87Å; H413-H417 AromaticContact CE1-ND1 3.94Å; H413-H417 WeakPolarHBondContact O-CB 3.31Å; H413-H417 PolarHBondContact O-N 3.34Å
414W94.2Very high94.1Very high100 Ų10086 Ų8638%0.37942%0.418SS..Hα-helixtrans-60.9-40.3-166-174.3-116.5000113.4Q410 Q411 E412 T416 H417 R418Q410-W414 WeakPolarHBondContact O-CA 3.29Å; Q410-W414 WeakPolarHBondContact O-CB 3.15Å; Q410-W414 PolarHBondContact O-N 3.5Å; Q411-W414 VanDerWaalsContact O-CB 3.29Å; Q411-W414 WeakPolarHBondContact O-CB 3.19Å; Q411-W414 PolarHBondContact O-N 3.32Å; E412-W414 VanDerWaalsContact C-N 3.3Å; E412-W414 PolarHBondContact O-N 3.12Å; W414-T416 VanDerWaalsContact C-N 3.3Å; W414-T416 PolarHBondContact O-N 3.45Å; W414-H417 PolarHBondContact O-N 3.08Å; W414-R418 HydrophobicContact CD2-CB 4.26Å; W414-R418 HydrophobicContact CZ2-CB 4.06Å; W414-R418 VanDerWaalsContact O-CB 3.31Å; W414-R418 WeakPolarHBondContact O-CB 3.04Å; W414-R418 PolarHBondContact O-N 3.08Å
415E93.9Very high93.2Very high125 Ų12595.6 Ų95.658%0.58446%0.46SS*.Hα-helixtrans-60.7-38.7-176-71.4-54.6140.700112.7H413 R418H413-E415 VanDerWaalsContact C-N 3.34Å; H413-E415 PolarHBondContact O-N 2.97Å; E415-R418 IonicContact OE1-NH1 4Å; E415-R418 IonicContact OE2-CZ 3.79Å; E415-R418 IonicContact OE2-NH1 2.84Å; E415-R418 PolarHBondContact OE2-NH1 3.31Å
416T94.2Very high91.6Very high101 Ų10199.4 Ų99.462%0.6248%0.483SS*.Hα-helixtrans-84.4-32176.7510000112.4H413 W414H413-T416 PolarHBondContact CD2-OG1 3.17Å; H413-T416 PolarHBondContact NE2-OG1 2.9Å; H413-T416 PolarHBondContact O-N 3.39Å; H413-T416 PolarHBondContact O-OG1 2.89Å; H413-T416 VanDerWaalsContact O-OG1 3.12Å; W414-T416 VanDerWaalsContact C-N 3.3Å; W414-T416 PolarHBondContact O-N 3.45Å
417H94.7Very high89.4Confident3 Ų3104.1 Ų104.11%0.01451%0.51CS..Hα-helixtrans-75.9-36.7-177.8-173.652000114.1C399 T402 Y404 H413 W414 A419 T420 C421C399-H417 VanDerWaalsContact SG-CE1 3.52Å; T402-H417 PolarHBondContact OG1-CE1 3.48Å; T402-H417 VanDerWaalsContact OG1-CE1 3.31Å; Y404-H417 PolarHBondContact OH-CD2 3.48Å; H413-H417 VanDerWaalsContact CE1-CB 3.47Å; H413-H417 WeakPolarHBondContact CE1-CB 3.38Å; H413-H417 AromaticContact CE1-CG 3.87Å; H413-H417 AromaticContact CE1-ND1 3.94Å; H413-H417 WeakPolarHBondContact O-CB 3.31Å; H413-H417 PolarHBondContact O-N 3.34Å; W414-H417 PolarHBondContact O-N 3.08Å; H417-A419 PolarHBondContact O-N 3.42Å; H417-T420 PolarHBondContact O-N 3.35Å; H417-T420 PolarHBondContact O-OG1 2.86Å; H417-T420 VanDerWaalsContact O-OG1 3.14Å; H417-C421 WeakPolarHBondContact NE2-CB 3.17Å; H417-C421 PolarHBondContact NE2-SG 2.97Å; H417-C421 VanDerWaalsContact NE2-SG 3.38Å; H417-C421 PolarHBondContact O-N 3.35Å
418R93.3Very high87.1Confident148 Ų148106.9 Ų106.956%0.55853%0.527SS*.THydrogen-bonded Turntrans-52.6-33.4-166.970.7-173.9-147-168.88.3114.1W414 E415 T420W414-R418 HydrophobicContact CD2-CB 4.26Å; W414-R418 HydrophobicContact CZ2-CB 4.06Å; W414-R418 VanDerWaalsContact O-CB 3.31Å; W414-R418 WeakPolarHBondContact O-CB 3.04Å; W414-R418 PolarHBondContact O-N 3.08Å; E415-R418 IonicContact OE1-NH1 4Å; E415-R418 IonicContact OE2-CZ 3.79Å; E415-R418 IonicContact OE2-NH1 2.84Å; E415-R418 PolarHBondContact OE2-NH1 3.31Å; R418-T420 VanDerWaalsContact C-N 3.34Å
419A91.8Very high84.6Confident91 Ų91109.4 Ų109.475%0.75254%0.539SS*.THydrogen-bonded Turntrans-73.7-24.5-178.900000113.3H417H417-A419 PolarHBondContact O-N 3.42Å
420T92.9Very high81.9Confident99 Ų99118.5 Ų118.561%0.60760%0.595SS**THydrogen-bonded Turntrans-110-4.6-178.259.40000113.2H417 R418 R422H417-T420 PolarHBondContact O-N 3.35Å; H417-T420 PolarHBondContact O-OG1 2.86Å; H417-T420 VanDerWaalsContact O-OG1 3.14Å; R418-T420 VanDerWaalsContact C-N 3.34Å; T420-R422 PolarHBondContact O-N 3.37Å
421C93.8Very high81.2Confident31 Ų31122.3 Ų122.321%0.20961%0.614CS.*  trans-60.7123.2-179.7-170.80000111.7C398 H417C398-C421 VanDerWaalsContact SG-SG 3.7Å; H417-C421 WeakPolarHBondContact NE2-CB 3.17Å; H417-C421 PolarHBondContact NE2-SG 2.97Å; H417-C421 VanDerWaalsContact NE2-SG 3.38Å; H417-C421 PolarHBondContact O-N 3.35Å
422R92.3Very high80.4Confident191 Ų191121.8 Ų121.872%0.72161%0.614SS**  trans-94.410.8178.3-57.9-175.9179.1-165.2-1113.7C399 T420 K424C399-R422 HydrophobicContact CB-CB 3.97Å; C399-R422 PolarHBondContact SG-N 2.98Å; C399-R422 VanDerWaalsContact SG-N 3.44Å; T420-R422 PolarHBondContact O-N 3.37Å; R422-K424 PolarHBondContact O-N 3.21Å
423R88.5Confident79.6Confident142 Ų142121 Ų12154%0.53661%0.613SS.*  trans-74.6123.5179.8-166.1173.4179.5176.1-0.3109.7K425R423-K425 PolarHBondContact O-N 2.98Å
424K81.1Confident78.6Confident191 Ų191127.5 Ų127.583%0.8365%0.646SS**  trans-63.7130.9173.5-68.3-177.4178.5-179.80108.9R422 T426R422-K424 PolarHBondContact O-N 3.21Å; K424-T426 PolarHBondContact O-N 3.39Å
425K77.3Confident77.7Confident201 Ų201129.2 Ų129.287%0.87466%0.663SS**  trans-63109.1172.9-66.6-179.2-180178.40107.9R423 T427R423-K425 PolarHBondContact O-N 2.98Å; K425-T427 PolarHBondContact O-N 3.47Å; K425-T427 VanDerWaalsContact O-N 3.13Å
426T63.9Low76.6Confident112 Ų112129.5 Ų129.569%0.68767%0.668SS**  trans-69.2103.8167.1400000107.2K424 T428K424-T426 PolarHBondContact O-N 3.39Å; T426-T428 PolarHBondContact O-N 3.37Å
427T50.9Low75.3Confident125 Ų125131.5 Ų131.577%0.76767%0.672SS**  trans-65.387160.736.30000107.2K425 E429K425-T427 PolarHBondContact O-N 3.47Å; K425-T427 VanDerWaalsContact O-N 3.13Å; T427-E429 PolarHBondContact O-N 2.97Å
428T47.2Very low73.8Confident121 Ų121141.4 Ų141.474%0.74272%0.722SS**  trans-70.192.7160.538.10000106.5T426 T430T426-T428 PolarHBondContact O-N 3.37Å; T428-T430 PolarHBondContact O-N 3.15Å; T428-T430 VanDerWaalsContact O-N 3.17Å
429E45.6Very low72.2Confident180 Ų180140.8 Ų140.884%0.84174%0.736SS**  trans-59.5106.6159.2-69.8173.5172.700106.7T427T427-E429 PolarHBondContact O-N 2.97Å
430T41.3Very low70.4Confident206 Ų206145.4 Ų145.4100%1.26473%0.734SS**  trans-71.50159.745.30000110.2T428T428-T430 PolarHBondContact O-N 3.15Å; T428-T430 VanDerWaalsContact O-N 3.17Å

Retrieved 430 of 430 residues in 306 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).