A0A077Z6K9_TRITR Loading...

Mismatch repair endonuclease PMS2

AlphaFold DB , UniProt , Accession A0A077Z6K9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 570 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
1M45.3Very low50.9Low174 Ų17488.1 Ų88.186%0.85745%0.449SS*.  0137.70-73.7-172.4-172.100108.6V5 I6 L9M1-V5 HydrophobicContact SD-CG1 4.36Å; M1-I6 HydrophobicContact CB-CD1 3.95Å; M1-I6 HydrophobicContact CB-CG1 3.62Å; M1-I6 HydrophobicContact CG-CG1 4.5Å; M1-I6 HydrophobicContact SD-CG1 4.15Å; M1-L9 HydrophobicContact CE-CD1 4.23Å; M1-L9 HydrophobicContact SD-CD1 3.81Å
2Q50.9Low50.8Low149 Ų14982 Ų8270%0.69642%0.424SS*.  trans-55.7140.5171.4-75.8172.8-1800109.7D4 V5 I6Q2-D4 PolarHBondContact O-N 3.29Å; Q2-D4 VanDerWaalsContact O-N 3.11Å; Q2-V5 HydrophobicContact CB-CG2 4.27Å; Q2-V5 PolarHBondContact O-N 3.11Å; Q2-I6 PolarHBondContact O-N 2.98Å
3S55.6Low50.8Low83 Ų8385.8 Ų85.858%0.5844%0.439SS*.Hα-helixtrans-52.8-34-177.549.40000112.7R7S3-R7 WeakPolarHBondContact O-CB 3.46Å; S3-R7 PolarHBondContact O-N 3.09Å
4D55.9Low50.7Low75 Ų7580.6 Ų80.640%0.40142%0.417SS..Hα-helixtrans-68.6-32.4176.8-63.3-31.6000113.6Q2 R7 K8Q2-D4 PolarHBondContact O-N 3.29Å; Q2-D4 VanDerWaalsContact O-N 3.11Å; D4-R7 WeakPolarHBondContact O-CB 3.29Å; D4-R7 IonicContact OD1-CZ 3.98Å; D4-R7 IonicContact OD1-NH1 2.82Å; D4-R7 PolarHBondContact OD1-NH1 2.84Å; D4-R7 IonicContact OD1-NH2 3.43Å; D4-R7 PolarHBondContact OD1-NH2 2.7Å; D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 2.98Å
5V53.9Low51Low63 Ų6375.5 Ų75.538%0.38239%0.391SS..Hα-helixtrans-73.6-44.2177.7177.80000110.1M1 Q2 R7 K8 L9M1-V5 HydrophobicContact SD-CG1 4.36Å; Q2-V5 HydrophobicContact CB-CG2 4.27Å; Q2-V5 PolarHBondContact O-N 3.11Å; V5-R7 PolarHBondContact O-N 3.32Å; V5-K8 PolarHBondContact O-N 3.25Å; V5-L9 HydrophobicContact CG1-CD1 3.93Å; V5-L9 HydrophobicContact CG1-CG 4.38Å; V5-L9 WeakPolarHBondContact O-CB 3.18Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 3.48Å
6I52.9Low51.9Low70 Ų7077.2 Ų77.236%0.35940%0.4SS..Hα-helixtrans-57.9-44.2173.4-62.3173.4000109.4M1 Q2 K8 L9 L10M1-I6 HydrophobicContact CB-CD1 3.95Å; M1-I6 HydrophobicContact CB-CG1 3.62Å; M1-I6 HydrophobicContact CG-CG1 4.5Å; M1-I6 HydrophobicContact SD-CG1 4.15Å; Q2-I6 PolarHBondContact O-N 2.98Å; I6-K8 PolarHBondContact O-N 3.18Å; I6-L9 PolarHBondContact O-N 3.39Å; I6-L10 HydrophobicContact CG2-CD1 3.54Å; I6-L10 HydrophobicContact CG2-CG 4.05Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.31Å; I6-L10 PolarHBondContact O-N 2.76Å
7R49.3Very low53.3Low63 Ų6374 Ų7424%0.23838%0.384CS..Hα-helixtrans-53.7-55.4175-164.5-176.4-56.3128.420.8111.1S3 D4 V5 L9 L10 C11 K99 N100S3-R7 WeakPolarHBondContact O-CB 3.46Å; S3-R7 PolarHBondContact O-N 3.09Å; D4-R7 WeakPolarHBondContact O-CB 3.29Å; D4-R7 IonicContact OD1-CZ 3.98Å; D4-R7 IonicContact OD1-NH1 2.82Å; D4-R7 PolarHBondContact OD1-NH1 2.84Å; D4-R7 IonicContact OD1-NH2 3.43Å; D4-R7 PolarHBondContact OD1-NH2 2.7Å; V5-R7 PolarHBondContact O-N 3.32Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 2.85Å; R7-L10 PolarHBondContact O-N 3.07Å; R7-C11 VanDerWaalsContact O-CB 3.25Å; R7-C11 WeakPolarHBondContact O-CB 3.45Å; R7-C11 PolarHBondContact O-N 3.25Å; R7-C11 PolarHBondContact O-SG 2.84Å; R7-K99 PolarHBondContact NE-O 2.69Å; R7-K99 VanDerWaalsContact NE-O 3.13Å; R7-N100 WeakPolarHBondContact CA-OD1 3.47Å
8K50.3Low54.9Low118 Ų11869.9 Ų69.951%0.51336%0.363SS..Hα-helixtrans-62.3-34.8-179-73.1-179176.1178.70113.2D4 V5 I6 F155D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 2.98Å; V5-K8 PolarHBondContact O-N 3.25Å; I6-K8 PolarHBondContact O-N 3.18Å; K8-F155 HydrophobicContact CB-CE1 3.86Å; K8-F155 HydrophobicContact CB-CZ 4.14Å; K8-F155 HydrophobicContact CD-CE1 4.24Å; K8-F155 HydrophobicContact CG-CE1 3.72Å; K8-F155 HydrophobicContact CG-CZ 3.72Å
9L50.8Low56.5Low97 Ų9766.2 Ų66.251%0.50834%0.344SS..Hα-helixtrans-72.3-50.9178.4-73.1171.5000112M1 V5 I6 R7 C11 G12M1-L9 HydrophobicContact CE-CD1 4.23Å; M1-L9 HydrophobicContact SD-CD1 3.81Å; V5-L9 HydrophobicContact CG1-CD1 3.93Å; V5-L9 HydrophobicContact CG1-CG 4.38Å; V5-L9 WeakPolarHBondContact O-CB 3.18Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 3.48Å; I6-L9 PolarHBondContact O-N 3.39Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 2.85Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 3.44Å; L9-G12 WeakPolarHBondContact O-CA 3.49Å; L9-G12 PolarHBondContact O-N 2.77Å
10L47.5Very low57.7Low76 Ų7663.5 Ų63.540%0.39833%0.33SS..Hα-helixtrans-63.5-39.9179.1-70.1175000111.7I6 R7 G12 Q13I6-L10 HydrophobicContact CG2-CD1 3.54Å; I6-L10 HydrophobicContact CG2-CG 4.05Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.31Å; I6-L10 PolarHBondContact O-N 2.76Å; R7-L10 PolarHBondContact O-N 3.07Å; L10-G12 PolarHBondContact O-N 2.8Å; L10-G12 VanDerWaalsContact O-N 3.11Å; L10-Q13 PolarHBondContact O-N 3.47Å
11C47.6Very low58.7Low1 Ų160.7 Ų60.71%0.00732%0.316CS..Hα-helixtrans-60.2-25.2175.9-670000111.8R7 L9 Q13 V102 Y106R7-C11 VanDerWaalsContact O-CB 3.25Å; R7-C11 WeakPolarHBondContact O-CB 3.45Å; R7-C11 PolarHBondContact O-N 3.25Å; R7-C11 PolarHBondContact O-SG 2.84Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 3.44Å; C11-Q13 VanDerWaalsContact C-N 3.26Å; C11-Q13 PolarHBondContact O-N 2.83Å; C11-V102 HydrophobicContact CB-CG2 3.84Å; C11-Y106 HydrophobicContact CB-CE2 4.31Å; C11-Y106 WeakPolarHBondContact CB-OH 3.34Å; C11-Y106 PolarHBondContact O-OH 3.47Å
12G49.2Very low60.8Low15 Ų1552.4 Ų52.416%0.15528%0.275CS..Hα-helixtrans-71.6-11174.500000116.4L9 L10 I16L9-G12 WeakPolarHBondContact O-CA 3.49Å; L9-G12 PolarHBondContact O-N 2.77Å; L10-G12 PolarHBondContact O-N 2.8Å; L10-G12 VanDerWaalsContact O-N 3.11Å; G12-I16 WeakPolarHBondContact O-CG1 2.99Å
13Q51.6Low62.4Low131 Ų13145.7 Ų45.761%0.61224%0.244SC*.Hα-helixtrans-103.7-23.4-177.2-65.5-178.1-24.900113.3L10 C11L10-Q13 PolarHBondContact O-N 3.47Å; C11-Q13 VanDerWaalsContact C-N 3.26Å; C11-Q13 PolarHBondContact O-N 2.83Å
14G49.3Very low63.5Low13 Ų1342.4 Ų42.413%0.13422%0.219CC..Hα-helixtrans-93.4-51.5-170.200000116.1
15V55.2Low65Low4 Ų439 Ų392%0.02420%0.201CC..  trans-130.8107.9175.4-179.50000107.7D20 A21 L96 V102V15-D20 HydrophobicContact CB-CB 4.35Å; V15-D20 HydrophobicContact CG1-CB 3.73Å; V15-A21 HydrophobicContact CG1-CB 3.96Å; V15-L96 HydrophobicContact CG2-CD1 3.91Å; V15-L96 HydrophobicContact CG2-CD2 4.32Å; V15-V102 HydrophobicContact CB-CG1 3.41Å; V15-V102 VanDerWaalsContact CB-CG1 3.41Å; V15-V102 HydrophobicContact CG1-CG1 4.28Å; V15-V102 HydrophobicContact CG2-CG1 3.58Å
16I64.7Low66.7Low103 Ų10336 Ų3653%0.52818%0.183SC..  trans-100.8-25.8-173.7-55.8176.3000109.8G12G12-I16 WeakPolarHBondContact O-CG1 2.99Å
17T75.6Confident68.2Low23 Ų2332.8 Ų32.814%0.14117%0.166CC..SBendtrans-129.8159.5-17171.40000113S19 D20 A21 E169T17-S19 PolarHBondContact O-N 3.26Å; T17-S19 PolarHBondContact OG1-OG 3.36Å; T17-D20 WeakPolarHBondContact CB-OD2 3.38Å; T17-D20 PolarHBondContact N-OD2 2.81Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 VanDerWaalsContact O-N 3.16Å; T17-D20 PolarHBondContact OG1-N 3.21Å; T17-D20 PolarHBondContact OG1-OD2 3.43Å; T17-A21 PolarHBondContact O-N 3.33Å; T17-E169 VanDerWaalsContact CB-OE2 3.31Å; T17-E169 WeakPolarHBondContact CB-OE2 3.26Å; T17-E169 WeakPolarHBondContact CG2-OE2 3.22Å
18L82.9Confident70Confident0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-57.4-35.5172.4-174.272.1000111.6A21 C22 L49 L173L18-A21 PolarHBondContact O-N 2.91Å; L18-C22 PolarHBondContact O-N 3.21Å; L18-L49 HydrophobicContact CD1-CB 4.06Å; L18-L49 HydrophobicContact CD1-CD2 3.95Å; L18-L173 HydrophobicContact CD2-CD1 3.74Å; L18-L173 HydrophobicContact CG-CD1 3.69Å
19S85.3Confident71.9Confident0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-65-40.817765.50000112.2T17 A21 C22 K23 L176 R316T17-S19 PolarHBondContact O-N 3.26Å; T17-S19 PolarHBondContact OG1-OG 3.36Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 2.96Å; S19-C22 PolarHBondContact O-N 2.76Å; S19-K23 WeakPolarHBondContact O-CB 3.31Å; S19-K23 PolarHBondContact O-N 2.93Å; S19-L176 WeakPolarHBondContact O-CD2 3.44Å; S19-R316 PolarHBondContact OG-NH2 3.42Å
20D79.5Confident73.7Confident12 Ų1222.4 Ų22.46%0.06412%0.121CC..Hα-helixtrans-65-39.9177.9-56.6-38.7000111.1V15 T17 C22 K23 E24 R316V15-D20 HydrophobicContact CB-CB 4.35Å; V15-D20 HydrophobicContact CG1-CB 3.73Å; T17-D20 WeakPolarHBondContact CB-OD2 3.38Å; T17-D20 PolarHBondContact N-OD2 2.81Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 VanDerWaalsContact O-N 3.16Å; T17-D20 PolarHBondContact OG1-N 3.21Å; T17-D20 PolarHBondContact OG1-OD2 3.43Å; D20-C22 PolarHBondContact O-N 2.82Å; D20-K23 VanDerWaalsContact O-CB 3.31Å; D20-K23 WeakPolarHBondContact O-CB 3.14Å; D20-K23 PolarHBondContact O-N 2.83Å; D20-E24 PolarHBondContact O-N 3.02Å; D20-E24 VanDerWaalsContact O-N 3.15Å; D20-R316 IonicContact OD1-CZ 3.42Å; D20-R316 VanDerWaalsContact OD1-CZ 3.28Å; D20-R316 IonicContact OD1-NE 3.96Å; D20-R316 PolarHBondContact OD1-NE 3.03Å; D20-R316 IonicContact OD1-NH2 2.66Å; D20-R316 PolarHBondContact OD1-NH2 3.5Å
21A79.9Confident75.5Confident4 Ų420.6 Ų20.63%0.03311%0.112CC..Hα-helixtrans-59.7-46.6173.600000111.7V15 T17 L18 S19 K23 E24 L25 L49 L103V15-A21 HydrophobicContact CG1-CB 3.96Å; T17-A21 PolarHBondContact O-N 3.33Å; L18-A21 PolarHBondContact O-N 2.91Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 2.96Å; A21-K23 VanDerWaalsContact C-N 3.31Å; A21-K23 PolarHBondContact O-N 2.84Å; A21-E24 PolarHBondContact O-N 3.18Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.03Å; A21-L49 HydrophobicContact CB-CD2 3.94Å; A21-L103 HydrophobicContact CB-CD2 3.78Å
22C88.1Confident77.4Confident0 Ų021.6 Ų21.60%012%0.12CC..Hα-helixtrans-62.6-38.9176.7-172.40000111.9L18 S19 D20 L25 L26 L49 L173 L176L18-C22 PolarHBondContact O-N 3.21Å; S19-C22 PolarHBondContact O-N 2.76Å; D20-C22 PolarHBondContact O-N 2.82Å; C22-L25 PolarHBondContact O-N 2.78Å; C22-L26 WeakPolarHBondContact O-CB 3.38Å; C22-L26 VanDerWaalsContact O-CG 3.26Å; C22-L26 WeakPolarHBondContact O-CG 3.46Å; C22-L26 PolarHBondContact O-N 2.8Å; C22-L49 HydrophobicContact CB-CD1 4.39Å; C22-L49 HydrophobicContact CB-CD2 4.14Å; C22-L173 HydrophobicContact CB-CD1 3.77Å; C22-L173 HydrophobicContact CB-CG 4.13Å; C22-L176 HydrophobicContact CB-CD2 4.39Å
23K84.9Confident79.3Confident9 Ų923.5 Ų23.54%0.03914%0.14CC..Hα-helixtrans-55.9-53.3177.7-169.5-168.2172.3-160.90111S19 D20 A21 L25 L26 E27 L176 Y180 D314S19-K23 WeakPolarHBondContact O-CB 3.31Å; S19-K23 PolarHBondContact O-N 2.93Å; D20-K23 VanDerWaalsContact O-CB 3.31Å; D20-K23 WeakPolarHBondContact O-CB 3.14Å; D20-K23 PolarHBondContact O-N 2.83Å; A21-K23 VanDerWaalsContact C-N 3.31Å; A21-K23 PolarHBondContact O-N 2.84Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.41Å; K23-L26 PolarHBondContact O-N 3.29Å; K23-E27 VanDerWaalsContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 IonicContact NZ-OE1 3.16Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 3.09Å; K23-L176 HydrophobicContact CB-CD1 4.41Å; K23-L176 HydrophobicContact CB-CD2 3.68Å; K23-L176 HydrophobicContact CG-CD1 4.25Å; K23-L176 HydrophobicContact CG-CD2 4.37Å; K23-Y180 VanDerWaalsContact CE-OH 3.29Å; K23-Y180 WeakPolarHBondContact CE-OH 3.45Å; K23-Y180 HydrophobicContact CG-CE2 4.12Å; K23-Y180 VanDerWaalsContact CG-OH 3.28Å; K23-Y180 WeakPolarHBondContact CG-OH 3.5Å; K23-D314 PolarHBondContact NZ-O 3.4Å
24E79Confident81.3Confident13 Ų1317.5 Ų17.56%0.06111%0.113CC..Hα-helixtrans-62.7-41.6-177.3-64.5-57.913800111.4D20 A21 E27 N28 S93 L96D20-E24 PolarHBondContact O-N 3.02Å; D20-E24 VanDerWaalsContact O-N 3.15Å; A21-E24 PolarHBondContact O-N 3.18Å; E24-E27 PolarHBondContact O-N 3.19Å; E24-N28 WeakPolarHBondContact O-CB 3.22Å; E24-N28 PolarHBondContact O-N 3.46Å; E24-N28 PolarHBondContact O-ND2 3.38Å; E24-S93 WeakPolarHBondContact OE2-CA 3.41Å; E24-L96 HydrophobicContact CG-CD1 4.34Å
25L87.6Confident83.5Confident3 Ų320.9 Ų20.92%0.01613%0.131CC..Hα-helixtrans-66.2-38.7177.1-64-179.5000113A21 C22 K23 N28 S29 L49 V51 L94 L103 V146A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.03Å; C22-L25 PolarHBondContact O-N 2.78Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.41Å; L25-N28 PolarHBondContact O-N 3.09Å; L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 3.22Å; L25-L49 HydrophobicContact CD1-CD2 4.46Å; L25-V51 HydrophobicContact CB-CB 3.97Å; L25-V51 HydrophobicContact CB-CG1 4.32Å; L25-V51 HydrophobicContact CB-CG2 3.66Å; L25-V51 HydrophobicContact CD1-CB 4.29Å; L25-V51 HydrophobicContact CD1-CG2 3.8Å; L25-V51 HydrophobicContact CG-CG2 4.4Å; L25-L94 HydrophobicContact CD2-CD2 4.26Å; L25-L103 HydrophobicContact CD2-CD1 4.42Å; L25-V146 HydrophobicContact CD1-CB 4.37Å; L25-V146 HydrophobicContact CD1-CG1 4.17Å; L25-V146 HydrophobicContact CD2-CB 3.93Å; L25-V146 HydrophobicContact CD2-CG1 3.64Å; L25-V146 HydrophobicContact CD2-CG2 4.17Å
26L90.1Very high85.5Confident2 Ų224.1 Ų24.11%0.0115%0.148CC..Hα-helixtrans-64.4-47.5173.9-75.6172.5000111.6C22 K23 N28 S29 L30 I37 V39 T177 Y180 L189C22-L26 WeakPolarHBondContact O-CB 3.38Å; C22-L26 VanDerWaalsContact O-CG 3.26Å; C22-L26 WeakPolarHBondContact O-CG 3.46Å; C22-L26 PolarHBondContact O-N 2.8Å; K23-L26 PolarHBondContact O-N 3.29Å; L26-N28 VanDerWaalsContact C-N 3.27Å; L26-N28 PolarHBondContact O-N 3.06Å; L26-S29 WeakPolarHBondContact O-CB 3.41Å; L26-S29 PolarHBondContact O-N 3.05Å; L26-S29 VanDerWaalsContact O-N 3.08Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.88Å; L26-I37 HydrophobicContact CD2-CG2 3.77Å; L26-V39 HydrophobicContact CD2-CG2 3.65Å; L26-V39 HydrophobicContact CG-CG2 4.38Å; L26-T177 HydrophobicContact CD1-CG2 3.91Å; L26-Y180 HydrophobicContact CD1-CD2 4.03Å; L26-L189 HydrophobicContact CD2-CD1 3.88Å
27E85Confident87Confident1 Ų119.3 Ų19.31%0.00512%0.124CC..Hα-helixtrans-61.1-37.6177.7-72.4-171168.900111.3K23 E24 L30 D31 F87 Y180 K315K23-E27 VanDerWaalsContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 IonicContact NZ-OE1 3.16Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 3.09Å; E24-E27 PolarHBondContact O-N 3.19Å; E27-L30 PolarHBondContact O-N 3.43Å; E27-D31 WeakPolarHBondContact O-CB 3.37Å; E27-D31 VanDerWaalsContact O-CG 3.25Å; E27-D31 PolarHBondContact O-N 3.22Å; E27-F87 HydrophobicContact CB-CB 3.74Å; E27-F87 HydrophobicContact CG-CB 3.69Å; E27-F87 HydrophobicContact CG-CD1 4.16Å; E27-F87 HydrophobicContact CG-CG 4.1Å; E27-Y180 HydrophobicContact CG-CE1 4.1Å; E27-Y180 PolarHBondContact OE1-OH 2.76Å; E27-K315 IonicContact OE2-NZ 2.83Å
28N85.2Confident88Confident25 Ų2521.3 Ų21.313%0.13413%0.131CC..Hα-helixtrans-63.3-40.5172.6-73-38.8000113.1E24 L25 L26 A32 K74 S93 L94E24-N28 WeakPolarHBondContact O-CB 3.22Å; E24-N28 PolarHBondContact O-N 3.46Å; E24-N28 PolarHBondContact O-ND2 3.38Å; L25-N28 PolarHBondContact O-N 3.09Å; L26-N28 VanDerWaalsContact C-N 3.27Å; L26-N28 PolarHBondContact O-N 3.06Å; N28-A32 WeakPolarHBondContact O-CB 3.47Å; N28-A32 PolarHBondContact O-N 2.99Å; N28-K74 PolarHBondContact OD1-NZ 3.03Å; N28-S93 PolarHBondContact ND2-O 3.15Å; N28-S93 WeakPolarHBondContact OD1-CB 3.4Å; N28-S93 PolarHBondContact OD1-OG 3.48Å; N28-L94 WeakPolarHBondContact ND2-CG 3.5Å
29S90.9Very high88.7Confident3 Ų321.3 Ų21.32%0.02113%0.131CC..Hα-helixtrans-66.5-42.9178.6-560000111L25 L26 A32 A34L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 3.22Å; L26-S29 WeakPolarHBondContact O-CB 3.41Å; L26-S29 PolarHBondContact O-N 3.05Å; L26-S29 VanDerWaalsContact O-N 3.08Å; S29-A32 PolarHBondContact O-N 2.91Å; S29-A34 WeakPolarHBondContact O-CB 3.48Å; S29-A34 PolarHBondContact O-N 2.79Å
30L88.7Confident89.2Confident32 Ų3221.8 Ų21.817%0.16813%0.134CC..Hα-helixtrans-64-47175.5-69.4172.6000111.7L26 E27 A32 G33 I37 F87 Y180 V187L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 3.43Å; L30-A32 PolarHBondContact O-N 3.17Å; L30-G33 PolarHBondContact O-N 2.95Å; L30-I37 HydrophobicContact CD2-CD1 3.83Å; L30-I37 HydrophobicContact CG-CD1 4.09Å; L30-F87 HydrophobicContact CB-CD2 4.43Å; L30-F87 HydrophobicContact CD1-CD2 4.44Å; L30-F87 HydrophobicContact CD1-CE2 4.19Å; L30-Y180 HydrophobicContact CD1-CD1 3.86Å; L30-Y180 HydrophobicContact CD1-CE1 4.29Å; L30-V187 HydrophobicContact CD2-CG2 4Å
31D84.8Confident90Very high39 Ų3921.2 Ų21.221%0.20913%0.131CC..Hα-helixtrans-65.5-22.5177.6-71.7-24.5000112.2E27 G33 K74 F87 G88E27-D31 WeakPolarHBondContact O-CB 3.37Å; E27-D31 VanDerWaalsContact O-CG 3.25Å; E27-D31 PolarHBondContact O-N 3.22Å; D31-G33 PolarHBondContact O-N 3.46Å; D31-K74 HydrophobicContact CB-CD 4.36Å; D31-K74 VanDerWaalsContact OD2-CE 3.3Å; D31-K74 WeakPolarHBondContact OD2-CE 3.4Å; D31-K74 IonicContact OD2-NZ 2.78Å; D31-K74 PolarHBondContact OD2-NZ 2.76Å; D31-F87 PolarHBondContact OD1-N 2.79Å; D31-F87 PolarHBondContact OD2-N 3.1Å; D31-G88 PolarHBondContact OD2-N 2.76Å
32A87.5Confident90.7Very high21 Ų2124.5 Ų24.517%0.17415%0.146CC..THydrogen-bonded Turntrans-78.7-1.3173.200000113.7N28 S29 L30 R56N28-A32 WeakPolarHBondContact O-CB 3.47Å; N28-A32 PolarHBondContact O-N 2.99Å; S29-A32 PolarHBondContact O-N 2.91Å; L30-A32 PolarHBondContact O-N 3.17Å; A32-R56 HydrophobicContact CB-CG 4.4Å; A32-R56 PolarHBondContact O-N 3.43Å
33G89.4Confident90.9Very high55 Ų5526.8 Ų26.857%0.56716%0.157SC*.THydrogen-bonded Turntrans75.228.5-179.600000113.8L30 D31L30-G33 PolarHBondContact O-N 2.95Å; D31-G33 PolarHBondContact O-N 3.46Å
34A93.7Very high91.2Very high5 Ų529.9 Ų29.94%0.04117%0.169CC..  trans-66.5137178.600000111.9S29 I37 D53 N54 V187S29-A34 WeakPolarHBondContact O-CB 3.48Å; S29-A34 PolarHBondContact O-N 2.79Å; A34-I37 HydrophobicContact CB-CD1 4.19Å; A34-I37 HydrophobicContact CB-CG1 3.81Å; A34-D53 HydrophobicContact CB-CB 3.8Å; A34-N54 WeakPolarHBondContact CA-OD1 3.38Å; A34-V187 VanDerWaalsContact O-CG2 3.32Å; A34-V187 WeakPolarHBondContact O-CG2 3.14Å
35T95.1Very high91.6Very high84 Ų8429.2 Ų29.252%0.51517%0.167SC..SBendtrans-101.4-11.2172.1610000112.6N54 V187 S188T35-N54 PolarHBondContact N-OD1 3.22Å; T35-N54 PolarHBondContact OG1-ND2 3.14Å; T35-V187 CarbonylContact O-C 3.56Å; T35-V187 WeakPolarHBondContact O-CA 3.33Å; T35-S188 PolarHBondContact O-N 3.34Å
36N96.8Very high91.6Very high73 Ų7329.4 Ų29.439%0.3917%0.169SC..EExtended strand (participates in β ladder)trans-140.3125.8174.5-168.2-6.8000109.7D53 N54 S188N36-D53 WeakPolarHBondContact O-CA 3.31Å; N36-N54 PolarHBondContact N-OD1 3.31Å; N36-N54 PolarHBondContact O-N 3.38Å; N36-N54 PolarHBondContact O-OD1 3.4Å; N36-N54 VanDerWaalsContact O-OD1 3.13Å; N36-S188 CarbonylContact C-O 3.53Å; N36-S188 WeakPolarHBondContact CA-O 3.49Å; N36-S188 PolarHBondContact OD1-O 3.47Å; N36-S188 PolarHBondContact OD1-OG 3.12Å
37I96.9Very high91.6Very high2 Ų232.3 Ų32.31%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-130.4124179.8-55.6172.3000108.5L26 L30 A34 V51 S52 D53 V187 S188 L189 S190L26-I37 HydrophobicContact CD2-CG2 3.77Å; L30-I37 HydrophobicContact CD2-CD1 3.83Å; L30-I37 HydrophobicContact CG-CD1 4.09Å; A34-I37 HydrophobicContact CB-CD1 4.19Å; A34-I37 HydrophobicContact CB-CG1 3.81Å; I37-V51 HydrophobicContact CG2-CG1 3.98Å; I37-S52 CarbonylContact C-O 3.44Å; I37-S52 WeakPolarHBondContact CA-O 2.88Å; I37-D53 HydrophobicContact CG1-CB 4.39Å; I37-V187 HydrophobicContact CB-CG1 4.48Å; I37-V187 HydrophobicContact CD1-CG1 3.8Å; I37-V187 HydrophobicContact CG1-CG1 3.87Å; I37-S188 PolarHBondContact N-O 3.38Å; I37-L189 HydrophobicContact CB-CD1 3.79Å; I37-L189 HydrophobicContact CG2-CD1 3.79Å; I37-L189 WeakPolarHBondContact O-CA 3.34Å; I37-S190 PolarHBondContact O-N 3.48Å
38E97.2Very high91.9Very high65 Ų6532.4 Ų32.430%0.30419%0.185SC..EExtended strand (participates in β ladder)trans-112.9120.5173.3-176.4-179.969.700109.6V51 S52E38-V51 WeakPolarHBondContact O-CA 3.5Å; E38-S52 PolarHBondContact N-O 3.22Å; E38-S52 PolarHBondContact O-N 3.28Å
39V97.1Very high92.3Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-97.1119.7168.8-175.90000108L26 L49 Q50 V51 T177 L189 S190 L191 V192L26-V39 HydrophobicContact CD2-CG2 3.65Å; L26-V39 HydrophobicContact CG-CG2 4.38Å; V39-L49 HydrophobicContact CG1-CD1 4.03Å; V39-Q50 CarbonylContact C-O 3.55Å; V39-Q50 WeakPolarHBondContact CA-O 3.43Å; V39-V51 HydrophobicContact CG1-CG2 4.36Å; V39-V51 HydrophobicContact CG2-CG2 4.25Å; V39-T177 HydrophobicContact CG2-CG2 4.22Å; V39-L189 HydrophobicContact CG2-CD1 4.42Å; V39-S190 PolarHBondContact N-O 3.46Å; V39-L191 HydrophobicContact CB-CD1 3.75Å; V39-L191 HydrophobicContact CG1-CD1 3.52Å; V39-L191 CarbonylContact O-C 3.52Å; V39-L191 VanDerWaalsContact O-CA 3.3Å; V39-L191 WeakPolarHBondContact O-CA 3.38Å; V39-V192 PolarHBondContact O-N 3.36Å
40L96.6Very high92.5Very high9 Ų933.3 Ų33.35%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-113.3130.1175.1-179.4152.7000109.2E42 Q50 V192 V194L40-E42 HydrophobicContact CD2-CG 3.8Å; L40-Q50 HydrophobicContact CB-CB 4.21Å; L40-Q50 HydrophobicContact CD2-CB 4.3Å; L40-Q50 PolarHBondContact N-O 3.35Å; L40-Q50 PolarHBondContact O-N 3.17Å; L40-V192 CarbonylContact C-O 3.59Å; L40-V192 WeakPolarHBondContact CA-O 3.37Å; L40-V194 HydrophobicContact CD1-CG2 4.03Å; L40-V194 HydrophobicContact CD2-CG2 4.34Å; L40-V194 HydrophobicContact CG-CG2 4.09Å
41V95.2Very high92.8Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-120.2142.1169.7-61.10000110.2C48 L49 F170 L173 L191 V192 N193 V194V41-C48 WeakPolarHBondContact CA-O 3.23Å; V41-L49 HydrophobicContact CG1-CD1 3.7Å; V41-F170 HydrophobicContact CG2-CD2 4.17Å; V41-F170 HydrophobicContact CG2-CE2 3.6Å; V41-L173 HydrophobicContact CG1-CD1 4.25Å; V41-L173 HydrophobicContact CG1-CD2 4.36Å; V41-L191 HydrophobicContact CG1-CD1 4.48Å; V41-V192 PolarHBondContact N-O 3.18Å; V41-N193 HydrophobicContact CG2-CB 3.86Å; V41-N193 CarbonylContact O-C 3.49Å; V41-N193 WeakPolarHBondContact O-CA 3.44Å; V41-N193 PolarHBondContact O-OD1 3.19Å; V41-V194 PolarHBondContact O-N 2.91Å
42E94.4Very high93.3Very high74 Ų7431.3 Ų31.335%0.34618%0.179SC..EExtended strand (participates in β ladder)trans-107.1133.2172.6-61.2-173.4150.900109.4L40 Y44 G45 A46 D47 C48 V194L40-E42 HydrophobicContact CD2-CG 3.8Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 3.27Å; E42-G45 WeakPolarHBondContact O-CA 3.47Å; E42-G45 PolarHBondContact O-N 2.71Å; E42-A46 PolarHBondContact O-N 2.91Å; E42-D47 HydrophobicContact CB-CB 4.23Å; E42-D47 PolarHBondContact O-N 2.84Å; E42-C48 HydrophobicContact CB-CB 3.82Å; E42-C48 HydrophobicContact CG-CB 3.79Å; E42-C48 PolarHBondContact N-O 3.38Å; E42-C48 WeakPolarHBondContact OE2-CB 3.25Å; E42-V194 WeakPolarHBondContact CA-O 3.38Å; E42-V194 HydrophobicContact CG-CB 4.27Å
43D92.1Very high93.8Very high47 Ų4731 Ų3125%0.25118%0.175SC..G310 helixtrans47.452-175.7-76.3-14.1000112.1G45 A46 L166 V194 K195D43-G45 PolarHBondContact O-N 2.93Å; D43-G45 VanDerWaalsContact O-N 3.1Å; D43-A46 HydrophobicContact CB-CB 4.31Å; D43-A46 WeakPolarHBondContact O-CB 3.2Å; D43-A46 PolarHBondContact O-N 3.17Å; D43-A46 VanDerWaalsContact O-N 3.15Å; D43-L166 WeakPolarHBondContact O-CD2 3.47Å; D43-V194 PolarHBondContact N-O 3.24Å; D43-K195 WeakPolarHBondContact OD1-CA 3.33Å; D43-K195 WeakPolarHBondContact OD1-CG 3.29Å
44Y91.4Very high94.1Very high74 Ų7431.6 Ų31.629%0.2917%0.165SC..G310 helixtrans5919.2-178.4-52.2-81.2000114.5E42 F170 N193 K195E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 3.27Å; Y44-F170 AromaticContact CD1-CD1 3.54Å; Y44-F170 HydrophobicContact CD1-CD1 3.54Å; Y44-F170 HydrophobicContact CD1-CD2 4.14Å; Y44-F170 AromaticContact CD1-CE1 3.6Å; Y44-F170 HydrophobicContact CD1-CE1 3.6Å; Y44-F170 HydrophobicContact CD1-CE2 4.23Å; Y44-F170 AromaticContact CD1-CG 3.79Å; Y44-F170 HydrophobicContact CD1-CG 3.79Å; Y44-F170 AromaticContact CD1-CZ 3.93Å; Y44-F170 HydrophobicContact CD1-CZ 3.93Å; Y44-F170 HydrophobicContact CE1-CD1 4.24Å; Y44-F170 HydrophobicContact CE1-CE1 4.02Å; Y44-F170 HydrophobicContact CE1-CZ 4.49Å; Y44-F170 HydrophobicContact CG-CD1 4.47Å; Y44-F170 HydrophobicContact CG-CG 4.35Å; Y44-N193 VanDerWaalsContact CD1-ND2 3.34Å; Y44-N193 WeakPolarHBondContact CD1-ND2 3.16Å; Y44-N193 WeakPolarHBondContact CE1-ND2 3.29Å; Y44-N193 PolarHBondContact N-OD1 3.49Å; Y44-K195 HydrophobicContact CE2-CD 3.88Å
45G88.6Confident94.1Very high0 Ų031.6 Ų31.60%017%0.165CC..G310 helixtrans94.311.818000000114.9E42 D43E42-G45 WeakPolarHBondContact O-CA 3.47Å; E42-G45 PolarHBondContact O-N 2.71Å; D43-G45 PolarHBondContact O-N 2.93Å; D43-G45 VanDerWaalsContact O-N 3.1Å
46A87.7Confident93.9Very high7 Ų734.5 Ų34.56%0.05817%0.167CC..THydrogen-bonded Turntrans-68.3-39.6172.900000112.1E42 D43 R159 L163 L166E42-A46 PolarHBondContact O-N 2.91Å; D43-A46 HydrophobicContact CB-CB 4.31Å; D43-A46 WeakPolarHBondContact O-CB 3.2Å; D43-A46 PolarHBondContact O-N 3.17Å; D43-A46 VanDerWaalsContact O-N 3.15Å; A46-R159 PolarHBondContact O-NH1 3.08Å; A46-L163 HydrophobicContact CB-CD2 3.68Å; A46-L166 HydrophobicContact CB-CD1 4.16Å; A46-L166 HydrophobicContact CB-CD2 3.87Å
47D89.9Confident93.7Very high63 Ų6331.6 Ų31.634%0.33715%0.154SC..SBendtrans-103.4-44.4-171-71.1-3.5000111.6E42 K149 N150E42-D47 HydrophobicContact CB-CB 4.23Å; E42-D47 PolarHBondContact O-N 2.84Å; D47-K149 CarbonylContact O-C 3.57Å; D47-K149 WeakPolarHBondContact O-CA 3.38Å; D47-N150 PolarHBondContact O-N 3.42Å
48C91.8Very high93.4Very high2 Ų233 Ų331%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-146.8138.8-177.2-172.10000112.5V41 E42 T147 C148 K149V41-C48 WeakPolarHBondContact CA-O 3.23Å; E42-C48 HydrophobicContact CB-CB 3.82Å; E42-C48 HydrophobicContact CG-CB 3.79Å; E42-C48 PolarHBondContact N-O 3.38Å; E42-C48 WeakPolarHBondContact OE2-CB 3.25Å; C48-T147 VanDerWaalsContact SG-CG2 3.5Å; C48-C148 WeakPolarHBondContact CA-O 3.43Å; C48-K149 HydrophobicContact CB-CG 4.43Å
49L92.4Very high93.1Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-119.1120.1160.1171.664.9000107.9L18 A21 C22 L25 V39 V41 C148 L173L18-L49 HydrophobicContact CD1-CB 4.06Å; L18-L49 HydrophobicContact CD1-CD2 3.95Å; A21-L49 HydrophobicContact CB-CD2 3.94Å; C22-L49 HydrophobicContact CB-CD1 4.39Å; C22-L49 HydrophobicContact CB-CD2 4.14Å; L25-L49 HydrophobicContact CD1-CD2 4.46Å; V39-L49 HydrophobicContact CG1-CD1 4.03Å; V41-L49 HydrophobicContact CG1-CD1 3.7Å; L49-C148 HydrophobicContact CB-CB 4.49Å; L49-C148 PolarHBondContact N-O 3.19Å; L49-C148 PolarHBondContact O-N 3.09Å; L49-L173 HydrophobicContact CD1-CD1 4.04Å
50Q94.3Very high92.7Very high47 Ų4732.7 Ų32.722%0.2217%0.17CC..EExtended strand (participates in β ladder)trans-124.9133.2179.9-178-177.3-67.100109.5V39 L40 T145 V146 T147V39-Q50 CarbonylContact C-O 3.55Å; V39-Q50 WeakPolarHBondContact CA-O 3.43Å; L40-Q50 HydrophobicContact CB-CB 4.21Å; L40-Q50 HydrophobicContact CD2-CB 4.3Å; L40-Q50 PolarHBondContact N-O 3.35Å; L40-Q50 PolarHBondContact O-N 3.17Å; Q50-T145 HydrophobicContact CG-CG2 3.47Å; Q50-T145 VanDerWaalsContact CG-CG2 3.47Å; Q50-V146 CarbonylContact C-O 3.5Å; Q50-V146 VanDerWaalsContact CA-O 3.26Å; Q50-V146 WeakPolarHBondContact CA-O 3.22Å; Q50-T147 HydrophobicContact CB-CG2 4.4Å
51V95.4Very high92.3Very high1 Ų140 Ų401%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-122.7122.4171.9-178.90000107.8L25 I37 E38 V39 T145 V146L25-V51 HydrophobicContact CB-CB 3.97Å; L25-V51 HydrophobicContact CB-CG1 4.32Å; L25-V51 HydrophobicContact CB-CG2 3.66Å; L25-V51 HydrophobicContact CD1-CB 4.29Å; L25-V51 HydrophobicContact CD1-CG2 3.8Å; L25-V51 HydrophobicContact CG-CG2 4.4Å; I37-V51 HydrophobicContact CG2-CG1 3.98Å; E38-V51 WeakPolarHBondContact O-CA 3.5Å; V39-V51 HydrophobicContact CG1-CG2 4.36Å; V39-V51 HydrophobicContact CG2-CG2 4.25Å; V51-T145 CarbonylContact O-C 3.58Å; V51-T145 VanDerWaalsContact O-CA 3.3Å; V51-T145 WeakPolarHBondContact O-CA 3.3Å; V51-V146 PolarHBondContact N-O 2.98Å; V51-V146 PolarHBondContact O-N 3.4Å
52S96.7Very high91.9Very high28 Ų2843.1 Ų43.120%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-118129.9-179.8-1680000110.3I37 E38 T144 T145I37-S52 CarbonylContact C-O 3.44Å; I37-S52 WeakPolarHBondContact CA-O 2.88Å; E38-S52 PolarHBondContact N-O 3.22Å; E38-S52 PolarHBondContact O-N 3.28Å; S52-T144 CarbonylContact C-O 3.08Å; S52-T144 WeakPolarHBondContact CA-O 3.36Å; S52-T145 WeakPolarHBondContact CB-OG1 3.17Å; S52-T145 PolarHBondContact OG-OG1 2.78Å
53D96.7Very high91.6Very high16 Ų1639.9 Ų39.99%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-129.1162-179.770.970.2000111.9A34 N36 I37 G55 T144A34-D53 HydrophobicContact CB-CB 3.8Å; N36-D53 WeakPolarHBondContact O-CA 3.31Å; I37-D53 HydrophobicContact CG1-CB 4.39Å; D53-G55 PolarHBondContact OD1-N 2.81Å; D53-T144 PolarHBondContact N-O 2.65Å; D53-T144 PolarHBondContact O-N 2.99Å; D53-T144 PolarHBondContact OD1-N 3.28Å; D53-T144 WeakPolarHBondContact OD2-CB 3.37Å; D53-T144 VanDerWaalsContact OD2-O 3.12Å
54N96.1Very high91.2Very high66 Ų6642.6 Ų42.635%0.35322%0.22SC..  trans-109.129.5170.571.1-20.1000112.2A34 T35 N36A34-N54 WeakPolarHBondContact CA-OD1 3.38Å; T35-N54 PolarHBondContact N-OD1 3.22Å; T35-N54 PolarHBondContact OG1-ND2 3.14Å; N36-N54 PolarHBondContact N-OD1 3.31Å; N36-N54 PolarHBondContact O-N 3.38Å; N36-N54 PolarHBondContact O-OD1 3.4Å; N36-N54 VanDerWaalsContact O-OD1 3.13Å
55G93Very high90.6Very high5 Ų542.2 Ų42.25%0.05222%0.223CC..SBendtrans-69.5-168.1177.700000112.3D53 G57 G143D53-G55 PolarHBondContact OD1-N 2.81Å; G55-G57 PolarHBondContact O-N 3.41Å; G55-G143 VanDerWaalsContact O-CA 3.26Å; G55-G143 WeakPolarHBondContact O-CA 3.47Å; G55-G143 PolarHBondContact O-N 3.2Å
56R92.7Very high90Very high145 Ų14543 Ų4355%0.54723%0.227SC..SBendtrans-60.7-15.9-176.966.8-176.8-177.6-176.9-0.1116A32 S73 A116A32-R56 HydrophobicContact CB-CG 4.4Å; A32-R56 PolarHBondContact O-N 3.43Å; R56-S73 PolarHBondContact NH2-OG 3.17Å; R56-A116 PolarHBondContact O-N 2.91Å
57G91.6Very high89.1Confident12 Ų1242.9 Ų42.912%0.12423%0.226CC..  trans75.8-177.7-171.900000113.4G55G55-G57 PolarHBondContact O-N 3.41Å
58I90.2Very high87.9Confident31 Ų3144.5 Ų44.516%0.15923%0.23CC..  trans-112.7133.4176.7-53.1170.6000108.2D62 F63 I66 I111 T113 T144I58-D62 HydrophobicContact CG2-CB 3.97Å; I58-F63 HydrophobicContact CB-CE1 4.39Å; I58-F63 HydrophobicContact CG2-CD1 4.09Å; I58-F63 HydrophobicContact CG2-CE1 4.26Å; I58-I66 HydrophobicContact CD1-CD1 3.79Å; I58-I66 HydrophobicContact CD1-CG1 4.21Å; I58-I66 HydrophobicContact CG2-CD1 3.99Å; I58-I66 HydrophobicContact CG2-CG1 4.11Å; I58-I111 HydrophobicContact CD1-CG2 4.29Å; I58-T113 HydrophobicContact CB-CG2 3.88Å; I58-T113 HydrophobicContact CD1-CG2 4.45Å; I58-T113 HydrophobicContact CG1-CG2 4.43Å; I58-T113 PolarHBondContact N-OG1 3.47Å; I58-T144 HydrophobicContact CD1-CG2 4.22Å
59A90.4Very high85.9Confident30 Ų3047.1 Ų47.125%0.24825%0.248CC..  trans-71.4149.1178.400000111.2E61 D62 F63A59-E61 HydrophobicContact CB-CG 3.91Å; A59-E61 PolarHBondContact O-N 3.21Å; A59-D62 PolarHBondContact O-N 3.17Å; A59-D62 VanDerWaalsContact O-N 3.07Å; A59-F63 WeakPolarHBondContact O-CD1 3.03Å; A59-F63 VanDerWaalsContact O-CE1 3.28Å; A59-F63 WeakPolarHBondContact O-CE1 3.25Å
60A90Very high83.9Confident30 Ų3052.1 Ų52.125%0.24828%0.283CS..G310 helixtrans-63.4-28.1-17600000113.6D62 F63 E118A60-D62 VanDerWaalsContact C-N 3.31Å; A60-F63 HydrophobicContact CB-CD2 4.48Å; A60-F63 HydrophobicContact CB-CE2 4.04Å; A60-F63 HydrophobicContact CB-CZ 4.12Å; A60-F63 WeakPolarHBondContact O-CG 3.29Å; A60-E118 WeakPolarHBondContact CB-OE1 3.43Å; A60-E118 PolarHBondContact N-OE1 3.48Å
61E88Confident81.5Confident163 Ų16352.5 Ų52.576%0.76229%0.29SS*.G310 helixtrans-66.9-28.8175.258.3-172-162.700113.4A59A59-E61 HydrophobicContact CB-CG 3.91Å; A59-E61 PolarHBondContact O-N 3.21Å
62D87Confident79.6Confident65 Ų6554.5 Ų54.535%0.34830%0.302SS..G310 helixtrans-88.2-5-177.7-73.1-31.6000113.3I58 A59 A60 D64 L65 I66I58-D62 HydrophobicContact CG2-CB 3.97Å; A59-D62 PolarHBondContact O-N 3.17Å; A59-D62 VanDerWaalsContact O-N 3.07Å; A60-D62 VanDerWaalsContact C-N 3.31Å; D62-D64 VanDerWaalsContact C-N 3.28Å; D62-D64 PolarHBondContact O-N 3.01Å; D62-L65 WeakPolarHBondContact O-CA 3.45Å; D62-L65 WeakPolarHBondContact O-CB 3.31Å; D62-L65 PolarHBondContact O-N 3.07Å; D62-I66 WeakPolarHBondContact O-CG1 3.29Å; D62-I66 PolarHBondContact O-N 3.39Å
63F88.3Confident77.8Confident5 Ų557.7 Ų57.72%0.02233%0.325CS..G310 helixtrans-56.2-42.4-172.7-72.7-4.3000113I58 A59 A60 L65 I66 T113 H122 L124 I132 K135I58-F63 HydrophobicContact CB-CE1 4.39Å; I58-F63 HydrophobicContact CG2-CD1 4.09Å; I58-F63 HydrophobicContact CG2-CE1 4.26Å; A59-F63 WeakPolarHBondContact O-CD1 3.03Å; A59-F63 VanDerWaalsContact O-CE1 3.28Å; A59-F63 WeakPolarHBondContact O-CE1 3.25Å; A60-F63 HydrophobicContact CB-CD2 4.48Å; A60-F63 HydrophobicContact CB-CE2 4.04Å; A60-F63 HydrophobicContact CB-CZ 4.12Å; A60-F63 WeakPolarHBondContact O-CG 3.29Å; F63-L65 PolarHBondContact O-N 2.68Å; F63-I66 HydrophobicContact CD1-CD1 4.2Å; F63-I66 WeakPolarHBondContact O-CG1 3.22Å; F63-I66 PolarHBondContact O-N 3.06Å; F63-T113 HydrophobicContact CE1-CG2 3.64Å; F63-T113 HydrophobicContact CZ-CG2 4.03Å; F63-H122 HydrophobicContact CE2-CB 3.59Å; F63-H122 AromaticContact CE2-CG 3.61Å; F63-H122 AromaticContact CE2-ND1 3.78Å; F63-H122 HydrophobicContact CZ-CB 3.8Å; F63-H122 AromaticContact CZ-ND1 3.93Å; F63-L124 HydrophobicContact CB-CD1 3.95Å; F63-L124 HydrophobicContact CD1-CD1 3.83Å; F63-L124 HydrophobicContact CD2-CD1 3.98Å; F63-L124 HydrophobicContact CD2-CD2 3.79Å; F63-L124 HydrophobicContact CD2-CG 4.45Å; F63-L124 HydrophobicContact CE1-CD1 4.29Å; F63-L124 HydrophobicContact CE2-CD1 4.44Å; F63-L124 HydrophobicContact CE2-CD2 4.13Å; F63-L124 HydrophobicContact CG-CD1 3.65Å; F63-L124 HydrophobicContact CG-CD2 4.3Å; F63-I132 HydrophobicContact CB-CD1 4.04Å; F63-K135 HydrophobicContact CD2-CD 4.34Å
64D82.6Confident75.9Confident104 Ų10459.1 Ų59.156%0.55633%0.33SS*.G310 helixtrans-72.1-14178.6-68.9-31.4000112.8D62 K68 I132D62-D64 VanDerWaalsContact C-N 3.28Å; D62-D64 PolarHBondContact O-N 3.01Å; D64-K68 WeakPolarHBondContact O-CD 3.34Å; D64-K68 WeakPolarHBondContact O-CE 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.49Å; D64-I132 WeakPolarHBondContact OD1-CD1 3.34Å
65L79.3Confident73.8Confident67 Ų6757.6 Ų57.635%0.35132%0.322SS..G310 helixtrans-93.3-19.9-178.7-57.4-179000112.9D62 F63 C67 K68D62-L65 WeakPolarHBondContact O-CA 3.45Å; D62-L65 WeakPolarHBondContact O-CB 3.31Å; D62-L65 PolarHBondContact O-N 3.07Å; F63-L65 PolarHBondContact O-N 2.68Å; L65-C67 PolarHBondContact O-N 3Å; L65-C67 VanDerWaalsContact O-N 3.09Å; L65-K68 HydrophobicContact CD2-CD 4.15Å; L65-K68 PolarHBondContact O-N 3.35Å
66I76.7Confident71.5Confident15 Ų1562.9 Ų62.98%0.07736%0.358CS..THydrogen-bonded Turntrans-51.5-41.4-173.1-62170.7000112.4I58 D62 F63 L94 I111 L124 F126I58-I66 HydrophobicContact CD1-CD1 3.79Å; I58-I66 HydrophobicContact CD1-CG1 4.21Å; I58-I66 HydrophobicContact CG2-CD1 3.99Å; I58-I66 HydrophobicContact CG2-CG1 4.11Å; D62-I66 WeakPolarHBondContact O-CG1 3.29Å; D62-I66 PolarHBondContact O-N 3.39Å; F63-I66 HydrophobicContact CD1-CD1 4.2Å; F63-I66 WeakPolarHBondContact O-CG1 3.22Å; F63-I66 PolarHBondContact O-N 3.06Å; I66-L94 HydrophobicContact CG2-CD1 4.06Å; I66-I111 HydrophobicContact CG2-CD1 3.65Å; I66-L124 HydrophobicContact CD1-CD1 3.71Å; I66-F126 HydrophobicContact CB-CZ 4.34Å; I66-F126 HydrophobicContact CD1-CZ 4.26Å; I66-F126 HydrophobicContact CG2-CZ 4.43Å
67C67.5Low68.9Low5 Ų558.1 Ų58.13%0.03435%0.347CS..THydrogen-bonded Turntrans-113.324.2-178.5-69.40000112.8L65 F97 S98 F126 G130L65-C67 PolarHBondContact O-N 3Å; L65-C67 VanDerWaalsContact O-N 3.09Å; C67-F97 CarbonylContact C-O 3.53Å; C67-S98 WeakPolarHBondContact O-CB 3.32Å; C67-F126 HydrophobicContact CB-CD1 4.17Å; C67-F126 HydrophobicContact CB-CE1 4.2Å; C67-G130 VanDerWaalsContact CB-O 3.27Å; C67-G130 WeakPolarHBondContact CB-O 3.36Å
68K65Low66.6Low98 Ų9864.6 Ų64.643%0.42638%0.378SS..SBendtrans-103.4145.2177.5-79.1-173.9-175.21660112.3D64 L65 N95 S98D64-K68 WeakPolarHBondContact O-CD 3.34Å; D64-K68 WeakPolarHBondContact O-CE 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.49Å; L65-K68 HydrophobicContact CD2-CD 4.15Å; L65-K68 PolarHBondContact O-N 3.35Å; K68-N95 PolarHBondContact O-ND2 3.14Å; K68-N95 PolarHBondContact O-OD1 3.09Å; K68-S98 VanDerWaalsContact C-CB 3.45Å
69S50.9Low64.4Low57 Ų5769.7 Ų69.740%0.39940%0.401SS..THydrogen-bonded Turntrans-59.7140.5-168.4-173.60000111C71 N95 S98S69-C71 PolarHBondContact O-N 3.02Å; S69-N95 WeakPolarHBondContact CA-OD1 2.99Å; S69-S98 WeakPolarHBondContact CA-O 3.43Å; S69-S98 WeakPolarHBondContact CA-OG 3.43Å; S69-S98 VanDerWaalsContact CB-C 3.5Å; S69-S98 WeakPolarHBondContact CB-O 3.18Å; S69-S98 WeakPolarHBondContact CB-OG 3.47Å; S69-S98 PolarHBondContact N-OG 2.88Å; S69-S98 PolarHBondContact OG-O 3.41Å
70S50.3Low62.4Low105 Ų10570.4 Ų70.473%0.73440%0.401SS*.THydrogen-bonded Turntrans59.622.4165-45.30000115.1N95S70-N95 PolarHBondContact N-ND2 2.79Å; S70-N95 PolarHBondContact N-OD1 3.24Å
71C43.5Very low60.2Low54 Ų5472.8 Ų72.837%0.36541%0.409SS..  trans-101.9124.6173.3-168.80000109.7S69 N95S69-C71 PolarHBondContact O-N 3.02Å; C71-N95 PolarHBondContact N-ND2 2.78Å; C71-N95 PolarHBondContact O-ND2 3.12Å
72T55.2Low57.6Low43 Ų4369.6 Ų69.626%0.26441%0.405SS..  trans-146.5140.5171.3-176.60000110.2K74 L75T72-K74 WeakPolarHBondContact OG1-CB 3.48Å; T72-K74 PolarHBondContact OG1-N 2.82Å; T72-K74 VanDerWaalsContact OG1-N 3.09Å; T72-L75 HydrophobicContact CG2-CB 4.23Å
73S59Low55.5Low95 Ų9575.8 Ų75.866%0.66442%0.423SS*.SBendtrans-81.9-2.6170.352.20000112.8R56R56-S73 PolarHBondContact NH2-OG 3.17Å
74K56.3Low53.6Low47 Ų4778.3 Ų78.320%0.20444%0.436CS..SBendtrans-99.2-16.9-168.4-59.9172.4-174.1175.20114.8N28 D31 T72 G88 S93N28-K74 PolarHBondContact OD1-NZ 3.03Å; D31-K74 HydrophobicContact CB-CD 4.36Å; D31-K74 VanDerWaalsContact OD2-CE 3.3Å; D31-K74 WeakPolarHBondContact OD2-CE 3.4Å; D31-K74 IonicContact OD2-NZ 2.78Å; D31-K74 PolarHBondContact OD2-NZ 2.76Å; T72-K74 WeakPolarHBondContact OG1-CB 3.48Å; T72-K74 PolarHBondContact OG1-N 2.82Å; T72-K74 VanDerWaalsContact OG1-N 3.09Å; K74-G88 WeakPolarHBondContact CD-O 3.42Å; K74-S93 PolarHBondContact NZ-OG 3.24Å
75L51.4Low51.9Low34 Ų3479 Ų7918%0.17845%0.449CS..  trans-133.8132.9174.7-61.2-174.1000109.7T72 D80 L81 F89T72-L75 HydrophobicContact CG2-CB 4.23Å; L75-D80 HydrophobicContact CB-CB 4.42Å; L75-D80 HydrophobicContact CD2-CB 3.44Å; L75-D80 VanDerWaalsContact CD2-CB 3.44Å; L75-D80 HydrophobicContact CG-CB 4.45Å; L75-L81 HydrophobicContact CD1-CD1 3.53Å; L75-L81 HydrophobicContact CD1-CG 4.44Å; L75-F89 HydrophobicContact CD1-CB 4.08Å; L75-F89 WeakPolarHBondContact CD1-O 2.82Å; L75-F89 HydrophobicContact CD2-CB 4Å; L75-F89 HydrophobicContact CG-CB 4.22Å; L75-F89 WeakPolarHBondContact CG-O 3.24Å
76S45.1Very low50.5Low115 Ų11576.8 Ų76.880%0.80444%0.44SS*.SBendtrans-113.6-24.7176.962.60000112.2D80S76-D80 PolarHBondContact N-OD2 3.02Å; S76-D80 PolarHBondContact OG-OD2 3.46Å
77S38Very low49.2Very low45 Ų4578 Ų7832%0.31544%0.444SS..SBendtrans-138159.7-176.8730000112.3E79 D80S77-E79 PolarHBondContact O-N 3.37Å; S77-E79 PolarHBondContact OG-N 3.2Å; S77-D80 PolarHBondContact N-OD2 3.05Å; S77-D80 WeakPolarHBondContact O-CB 3.16Å; S77-D80 PolarHBondContact O-N 3.19Å; S77-D80 PolarHBondContact OG-N 3.38Å; S77-D80 PolarHBondContact OG-OD1 3.34Å; S77-D80 PolarHBondContact OG-OD2 2.99Å
78L43.7Very low48.3Very low148 Ų14877.9 Ų77.978%0.77544%0.444SS*.G310 helixtrans-62.4-23.3172.2-175.167.2000111.9D80 L81L78-D80 VanDerWaalsContact C-N 3.31Å; L78-L81 WeakPolarHBondContact O-CB 3.33Å; L78-L81 PolarHBondContact O-N 2.74Å
79E44.4Very low47.3Very low139 Ų13973.4 Ų73.465%0.6542%0.424SS*.G310 helixtrans-71.4-28.9177.9-66.3164.5-16800111.6S77 L81 S82S77-E79 PolarHBondContact O-N 3.37Å; S77-E79 PolarHBondContact OG-N 3.2Å; E79-L81 PolarHBondContact O-N 3.29Å; E79-S82 WeakPolarHBondContact O-CB 3.12Å; E79-S82 PolarHBondContact O-N 2.8Å; E79-S82 PolarHBondContact O-OG 3.09Å
80D47.5Very low46.9Very low45 Ų4575 Ų7524%0.24142%0.422CS..G310 helixtrans-63.1-26174.7-62.2-29.9000111.7L75 S76 S77 L78 S82 R83L75-D80 HydrophobicContact CB-CB 4.42Å; L75-D80 HydrophobicContact CD2-CB 3.44Å; L75-D80 VanDerWaalsContact CD2-CB 3.44Å; L75-D80 HydrophobicContact CG-CB 4.45Å; S76-D80 PolarHBondContact N-OD2 3.02Å; S76-D80 PolarHBondContact OG-OD2 3.46Å; S77-D80 PolarHBondContact N-OD2 3.05Å; S77-D80 WeakPolarHBondContact O-CB 3.16Å; S77-D80 PolarHBondContact O-N 3.19Å; S77-D80 PolarHBondContact OG-N 3.38Å; S77-D80 PolarHBondContact OG-OD1 3.34Å; S77-D80 PolarHBondContact OG-OD2 2.99Å; L78-D80 VanDerWaalsContact C-N 3.31Å; D80-S82 PolarHBondContact O-N 3.45Å; D80-R83 PolarHBondContact O-N 2.98Å
81L43.6Very low46.4Very low80 Ų8070.2 Ų70.242%0.41939%0.388SS..G310 helixtrans-62.9-21.6173.2-108.391.9000113L75 L78 E79 L84L75-L81 HydrophobicContact CD1-CD1 3.53Å; L75-L81 HydrophobicContact CD1-CG 4.44Å; L78-L81 WeakPolarHBondContact O-CB 3.33Å; L78-L81 PolarHBondContact O-N 2.74Å; E79-L81 PolarHBondContact O-N 3.29Å; L81-L84 VanDerWaalsContact O-CD1 3.31Å; L81-L84 WeakPolarHBondContact O-CD1 3.07Å; L81-L84 WeakPolarHBondContact O-CG 3.48Å
82S33.8Very low46.2Very low96 Ų9671 Ų7167%0.67139%0.387SS*.G310 helixtrans-90.4-18.6179.771.20000113.2E79 D80E79-S82 WeakPolarHBondContact O-CB 3.12Å; E79-S82 PolarHBondContact O-N 2.8Å; E79-S82 PolarHBondContact O-OG 3.09Å; D80-S82 PolarHBondContact O-N 3.45Å
83R44.4Very low45.5Very low194 Ų19469.3 Ų69.373%0.73238%0.377SS*.SBendtrans-107.718.6-173.7-67-176-178.4167.72.9114.4D80 S85D80-R83 PolarHBondContact O-N 2.98Å; R83-S85 PolarHBondContact O-N 3.4Å
84L48.4Very low44.7Very low58 Ų5866.9 Ų66.930%0.30436%0.356SS..  trans-42.685.5-168.9-63.4175.2000115.7L81 F89L81-L84 VanDerWaalsContact O-CD1 3.31Å; L81-L84 WeakPolarHBondContact O-CD1 3.07Å; L81-L84 WeakPolarHBondContact O-CG 3.48Å; L84-F89 HydrophobicContact CB-CD1 4.46Å; L84-F89 HydrophobicContact CD1-CD1 3.8Å; L84-F89 HydrophobicContact CD1-CD2 3.97Å; L84-F89 HydrophobicContact CD1-CE1 3.65Å; L84-F89 HydrophobicContact CD1-CE2 3.8Å; L84-F89 HydrophobicContact CD1-CG 3.97Å; L84-F89 HydrophobicContact CD1-CZ 3.64Å; L84-F89 HydrophobicContact CD2-CB 3.13Å; L84-F89 HydrophobicContact CD2-CD1 3.48Å; L84-F89 VanDerWaalsContact CD2-CD1 3.48Å; L84-F89 HydrophobicContact CD2-CD2 3.59Å; L84-F89 HydrophobicContact CD2-CE1 4.23Å; L84-F89 HydrophobicContact CD2-CE2 4.3Å; L84-F89 HydrophobicContact CD2-CG 3.12Å; L84-F89 HydrophobicContact CG-CB 4.49Å; L84-F89 HydrophobicContact CG-CD1 4.11Å; L84-F89 HydrophobicContact CG-CD2 4.43Å; L84-F89 HydrophobicContact CG-CE1 4.43Å; L84-F89 HydrophobicContact CG-CG 4.12Å
85S45.7Very low43.7Very low119 Ų11965.3 Ų65.383%0.83235%0.35SS*.  trans-91.8-22.7171.658.80000112.6R83R83-S85 PolarHBondContact O-N 3.4Å
86S49.4Very low42.9Very low21 Ų2165.2 Ų65.215%0.14735%0.349CS..SBendtrans-85.5149.1178.561.80000112.4R280S86-R280 PolarHBondContact O-NH2 3.06Å
87F50.1Low42.4Very low40 Ų4060 Ų6018%0.17531%0.312CS..SBendtrans-68.7-39179.3-79-85.6000111.8E27 L30 D31 Y180 R280 K315E27-F87 HydrophobicContact CB-CB 3.74Å; E27-F87 HydrophobicContact CG-CB 3.69Å; E27-F87 HydrophobicContact CG-CD1 4.16Å; E27-F87 HydrophobicContact CG-CG 4.1Å; L30-F87 HydrophobicContact CB-CD2 4.43Å; L30-F87 HydrophobicContact CD1-CD2 4.44Å; L30-F87 HydrophobicContact CD1-CE2 4.19Å; D31-F87 PolarHBondContact OD1-N 2.79Å; D31-F87 PolarHBondContact OD2-N 3.1Å; F87-Y180 HydrophobicContact CD1-CE1 4.38Å; F87-Y180 HydrophobicContact CE1-CE1 4.15Å; F87-R280 HydrophobicContact CD1-CG 4.48Å; F87-R280 HydrophobicContact CE1-CG 4.24Å; F87-R280 PolarHBondContact O-NH1 2.89Å; F87-K315 PolarHBondContact O-NZ 3.42Å
88G49.6Very low42.1Very low2 Ų259.3 Ų59.32%0.02131%0.307CS..  trans-11093.8179.700000113.8D31 K74D31-G88 PolarHBondContact OD2-N 2.76Å; K74-G88 WeakPolarHBondContact CD-O 3.42Å
89F43.1Very low41.4Very low4 Ų460.6 Ų60.62%0.01831%0.306CS..  trans-96.1-31.7-179.554.2-90.6000114.7L75 L84 G91L75-F89 HydrophobicContact CD1-CB 4.08Å; L75-F89 WeakPolarHBondContact CD1-O 2.82Å; L75-F89 HydrophobicContact CD2-CB 4Å; L75-F89 HydrophobicContact CG-CB 4.22Å; L75-F89 WeakPolarHBondContact CG-O 3.24Å; L84-F89 HydrophobicContact CB-CD1 4.46Å; L84-F89 HydrophobicContact CD1-CD1 3.8Å; L84-F89 HydrophobicContact CD1-CD2 3.97Å; L84-F89 HydrophobicContact CD1-CE1 3.65Å; L84-F89 HydrophobicContact CD1-CE2 3.8Å; L84-F89 HydrophobicContact CD1-CG 3.97Å; L84-F89 HydrophobicContact CD1-CZ 3.64Å; L84-F89 HydrophobicContact CD2-CB 3.13Å; L84-F89 HydrophobicContact CD2-CD1 3.48Å; L84-F89 VanDerWaalsContact CD2-CD1 3.48Å; L84-F89 HydrophobicContact CD2-CD2 3.59Å; L84-F89 HydrophobicContact CD2-CE1 4.23Å; L84-F89 HydrophobicContact CD2-CE2 4.3Å; L84-F89 HydrophobicContact CD2-CG 3.12Å; L84-F89 HydrophobicContact CG-CB 4.49Å; L84-F89 HydrophobicContact CG-CD1 4.11Å; L84-F89 HydrophobicContact CG-CD2 4.43Å; L84-F89 HydrophobicContact CG-CE1 4.43Å; L84-F89 HydrophobicContact CG-CG 4.12Å; F89-G91 PolarHBondContact O-N 3.07Å
90R42.7Very low41.3Very low92 Ų9256.4 Ų56.435%0.34729%0.288SS..SBendtrans-64.10.8-175.9-65.9-174.4165.7-161.3-6.3115.6E92 N310R90-E92 HydrophobicContact CB-CB 3.95Å; R90-E92 HydrophobicContact CB-CG 3.68Å; R90-E92 WeakPolarHBondContact CD-OE2 3.04Å; R90-E92 IonicContact NH1-OE1 3.69Å; R90-E92 IonicContact NH1-OE2 2.79Å; R90-E92 PolarHBondContact NH1-OE2 3.11Å; R90-E92 PolarHBondContact O-N 3.34Å; R90-N310 PolarHBondContact NE-OD1 3.2Å; R90-N310 PolarHBondContact NH2-OD1 3.23Å
91G40.6Very low41.3Very low3 Ų354.3 Ų54.33%0.03128%0.277CS..SBendtrans66.9-12.5-162.100000114.1F89 S93 N95F89-G91 PolarHBondContact O-N 3.07Å; G91-S93 PolarHBondContact O-N 3.01Å; G91-N95 WeakPolarHBondContact O-CB 3.19Å; G91-N95 PolarHBondContact O-N 3.3Å
92E38.2Very low41.5Very low72 Ų7250.6 Ų50.634%0.33626%0.258SS..THydrogen-bonded Turntrans-64.5-4.2-176.7-67171.9-178.600115.9R90 N95 L96R90-E92 HydrophobicContact CB-CB 3.95Å; R90-E92 HydrophobicContact CB-CG 3.68Å; R90-E92 WeakPolarHBondContact CD-OE2 3.04Å; R90-E92 IonicContact NH1-OE1 3.69Å; R90-E92 IonicContact NH1-OE2 2.79Å; R90-E92 PolarHBondContact NH1-OE2 3.11Å; R90-E92 PolarHBondContact O-N 3.34Å; E92-N95 CarbonylContact O-C 3.55Å; E92-N95 VanDerWaalsContact O-C 3.24Å; E92-N95 PolarHBondContact O-N 2.82Å; E92-L96 HydrophobicContact CB-CG 4.44Å; E92-L96 PolarHBondContact O-N 3.37Å
93S41.2Very low42.4Very low7 Ų746.5 Ų46.55%0.04923%0.228CC..THydrogen-bonded Turntrans-76.6-31.7-167.867.40000114.7E24 N28 K74 G91E24-S93 WeakPolarHBondContact OE2-CA 3.41Å; N28-S93 PolarHBondContact ND2-O 3.15Å; N28-S93 WeakPolarHBondContact OD1-CB 3.4Å; N28-S93 PolarHBondContact OD1-OG 3.48Å; K74-S93 PolarHBondContact NZ-OG 3.24Å; G91-S93 PolarHBondContact O-N 3.01Å
94L42Very low42.6Very low43 Ų4337.3 Ų37.323%0.22519%0.194CC..THydrogen-bonded Turntrans-111.911.6153.1-72.3174.1000110.4L25 N28 I66 F97L25-L94 HydrophobicContact CD2-CD2 4.26Å; N28-L94 WeakPolarHBondContact ND2-CG 3.5Å; I66-L94 HydrophobicContact CG2-CD1 4.06Å; L94-F97 WeakPolarHBondContact O-CB 3.31Å; L94-F97 WeakPolarHBondContact O-CD2 3.33Å; L94-F97 WeakPolarHBondContact O-CG 3.07Å
95N35Very low42.7Very low14 Ų1435 Ų358%0.07518%0.184CC..THydrogen-bonded Turntrans-122.723.2-175.8-135.3-27.2000117.7K68 S69 S70 C71 G91 E92 F97K68-N95 PolarHBondContact O-ND2 3.14Å; K68-N95 PolarHBondContact O-OD1 3.09Å; S69-N95 WeakPolarHBondContact CA-OD1 2.99Å; S70-N95 PolarHBondContact N-ND2 2.79Å; S70-N95 PolarHBondContact N-OD1 3.24Å; C71-N95 PolarHBondContact N-ND2 2.78Å; C71-N95 PolarHBondContact O-ND2 3.12Å; G91-N95 WeakPolarHBondContact O-CB 3.19Å; G91-N95 PolarHBondContact O-N 3.3Å; E92-N95 CarbonylContact O-C 3.55Å; E92-N95 VanDerWaalsContact O-C 3.24Å; E92-N95 PolarHBondContact O-N 2.82Å; N95-F97 PolarHBondContact O-N 3.39Å
96L33.7Very low43.4Very low32 Ų3229.5 Ų29.517%0.16815%0.145CC..THydrogen-bonded Turntrans-61.330.9145.1-91.8137.6000109.9V15 E24 E92 N100 V102V15-L96 HydrophobicContact CG2-CD1 3.91Å; V15-L96 HydrophobicContact CG2-CD2 4.32Å; E24-L96 HydrophobicContact CG-CD1 4.34Å; E92-L96 HydrophobicContact CB-CG 4.44Å; E92-L96 PolarHBondContact O-N 3.37Å; L96-N100 CarbonylContact C-O 3.57Å; L96-N100 CarbonylContact O-C 3.58Å; L96-V102 HydrophobicContact CB-CB 4.29Å; L96-V102 HydrophobicContact CB-CG2 4.29Å; L96-V102 HydrophobicContact CD2-CG2 4.04Å; L96-V102 PolarHBondContact O-N 3.09Å
97F36.1Very low44Very low7 Ų728.6 Ų28.63%0.03114%0.138CC..THydrogen-bonded Turntrans-147.16.9-135.2-63.1-73.6000119.6C67 L94 N95 N101 V102 L103C67-F97 CarbonylContact C-O 3.53Å; L94-F97 WeakPolarHBondContact O-CB 3.31Å; L94-F97 WeakPolarHBondContact O-CD2 3.33Å; L94-F97 WeakPolarHBondContact O-CG 3.07Å; N95-F97 PolarHBondContact O-N 3.39Å; F97-N101 HydrophobicContact CD1-CB 3.98Å; F97-N101 WeakPolarHBondContact CD1-ND2 3.42Å; F97-N101 WeakPolarHBondContact CD1-OD1 3.26Å; F97-N101 WeakPolarHBondContact CE1-OD1 3.36Å; F97-N101 WeakPolarHBondContact O-CB 3.45Å; F97-N101 PolarHBondContact O-ND2 2.98Å; F97-N101 VanDerWaalsContact O-ND2 3.09Å; F97-V102 HydrophobicContact CE1-CB 4.18Å; F97-V102 HydrophobicContact CZ-CB 4.18Å; F97-L103 HydrophobicContact CE1-CB 3.38Å; F97-L103 HydrophobicContact CE1-CD1 4.39Å; F97-L103 HydrophobicContact CE1-CG 4.04Å; F97-L103 HydrophobicContact CE2-CD1 4.2Å; F97-L103 HydrophobicContact CE2-CG 4.45Å; F97-L103 HydrophobicContact CZ-CB 3.31Å; F97-L103 HydrophobicContact CZ-CD1 3.52Å; F97-L103 HydrophobicContact CZ-CG 3.41Å; F97-L103 VanDerWaalsContact CZ-CG 3.41Å
98S30.7Very low45.5Very low29 Ų2929.2 Ų29.220%0.20315%0.148CC..SBendtrans-165.4142.1154.9146.40000110C67 K68 S69 N100C67-S98 WeakPolarHBondContact O-CB 3.32Å; K68-S98 VanDerWaalsContact C-CB 3.45Å; S69-S98 WeakPolarHBondContact CA-O 3.43Å; S69-S98 WeakPolarHBondContact CA-OG 3.43Å; S69-S98 VanDerWaalsContact CB-C 3.5Å; S69-S98 WeakPolarHBondContact CB-O 3.18Å; S69-S98 WeakPolarHBondContact CB-OG 3.47Å; S69-S98 PolarHBondContact N-OG 2.88Å; S69-S98 PolarHBondContact OG-O 3.41Å; S98-N100 VanDerWaalsContact CA-N 3.35Å
99K30.2Very low47.2Very low175 Ų17529.5 Ų29.576%0.76115%0.148SC*.SBendcis-70.916.8-11.3-68.3167.4172.3171.10113.7R7R7-K99 PolarHBondContact NE-O 2.69Å; R7-K99 VanDerWaalsContact NE-O 3.13Å
100N41.1Very low49.5Very low51 Ų5130.8 Ų30.827%0.27316%0.157SC..SBendtrans-127.747.8-162.9-64.8-45.2000113.6R7 L96 S98 V102R7-N100 WeakPolarHBondContact CA-OD1 3.47Å; L96-N100 CarbonylContact C-O 3.57Å; L96-N100 CarbonylContact O-C 3.58Å; S98-N100 VanDerWaalsContact CA-N 3.35Å; N100-V102 PolarHBondContact O-N 3.44Å; N100-V102 VanDerWaalsContact O-N 3.09Å
101N47.2Very low51.9Low2 Ų226.4 Ų26.41%0.01114%0.14CC..  trans-64.998.7-170.7-165.5-45.1000115.3F97 T104 A105F97-N101 HydrophobicContact CD1-CB 3.98Å; F97-N101 WeakPolarHBondContact CD1-ND2 3.42Å; F97-N101 WeakPolarHBondContact CD1-OD1 3.26Å; F97-N101 WeakPolarHBondContact CE1-OD1 3.36Å; F97-N101 WeakPolarHBondContact O-CB 3.45Å; F97-N101 PolarHBondContact O-ND2 2.98Å; F97-N101 VanDerWaalsContact O-ND2 3.09Å; N101-T104 WeakPolarHBondContact CB-OG1 3.16Å; N101-T104 VanDerWaalsContact CG-CB 3.43Å; N101-T104 VanDerWaalsContact CG-CG2 3.41Å; N101-T104 VanDerWaalsContact ND2-CG2 3.29Å; N101-T104 WeakPolarHBondContact ND2-CG2 3.42Å; N101-T104 PolarHBondContact ND2-OG1 2.73Å; N101-T104 WeakPolarHBondContact OD1-CA 3.37Å; N101-T104 WeakPolarHBondContact OD1-CB 3.47Å; N101-T104 WeakPolarHBondContact OD1-CG2 3.37Å; N101-T104 PolarHBondContact OD1-N 3.23Å; N101-T104 PolarHBondContact OD1-OG1 3.39Å; N101-A105 VanDerWaalsContact O-CA 3.3Å; N101-A105 WeakPolarHBondContact O-CA 3.18Å; N101-A105 WeakPolarHBondContact O-CB 2.94Å; N101-A105 PolarHBondContact O-N 3.39Å
102V49.2Very low54.5Low2 Ų227.5 Ų27.51%0.01215%0.146CC..Hα-helixtrans-63.7-72.9-176.2160.10000111.2C11 V15 L96 F97 N100 T104 A105 Y106C11-V102 HydrophobicContact CB-CG2 3.84Å; V15-V102 HydrophobicContact CB-CG1 3.41Å; V15-V102 VanDerWaalsContact CB-CG1 3.41Å; V15-V102 HydrophobicContact CG1-CG1 4.28Å; V15-V102 HydrophobicContact CG2-CG1 3.58Å; L96-V102 HydrophobicContact CB-CB 4.29Å; L96-V102 HydrophobicContact CB-CG2 4.29Å; L96-V102 HydrophobicContact CD2-CG2 4.04Å; L96-V102 PolarHBondContact O-N 3.09Å; F97-V102 HydrophobicContact CE1-CB 4.18Å; F97-V102 HydrophobicContact CZ-CB 4.18Å; N100-V102 PolarHBondContact O-N 3.44Å; N100-V102 VanDerWaalsContact O-N 3.09Å; V102-T104 PolarHBondContact O-N 3.41Å; V102-A105 PolarHBondContact O-N 3.1Å; V102-Y106 HydrophobicContact CB-CD2 4.21Å; V102-Y106 HydrophobicContact CB-CE2 3.86Å; V102-Y106 HydrophobicContact CG1-CD2 3.6Å; V102-Y106 HydrophobicContact CG1-CE2 3.28Å; V102-Y106 HydrophobicContact CG2-CE2 4.22Å; V102-Y106 VanDerWaalsContact O-CB 3.27Å; V102-Y106 WeakPolarHBondContact O-CB 3.36Å; V102-Y106 WeakPolarHBondContact O-CD2 3.41Å; V102-Y106 WeakPolarHBondContact O-CE2 3.28Å; V102-Y106 PolarHBondContact O-N 3.23Å
103L51.8Low57.3Low9 Ų924 Ų245%0.04713%0.13CC..Hα-helixtrans-54-47.3174.5-67.3166.2000115.5A21 L25 F97 Y106 S107 C148A21-L103 HydrophobicContact CB-CD2 3.78Å; L25-L103 HydrophobicContact CD2-CD1 4.42Å; F97-L103 HydrophobicContact CE1-CB 3.38Å; F97-L103 HydrophobicContact CE1-CD1 4.39Å; F97-L103 HydrophobicContact CE1-CG 4.04Å; F97-L103 HydrophobicContact CE2-CD1 4.2Å; F97-L103 HydrophobicContact CE2-CG 4.45Å; F97-L103 HydrophobicContact CZ-CB 3.31Å; F97-L103 HydrophobicContact CZ-CD1 3.52Å; F97-L103 HydrophobicContact CZ-CG 3.41Å; F97-L103 VanDerWaalsContact CZ-CG 3.41Å; L103-Y106 CarbonylContact O-C 3.57Å; L103-Y106 PolarHBondContact O-N 3.39Å; L103-S107 WeakPolarHBondContact O-CA 3.33Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 2.93Å; L103-S107 PolarHBondContact O-OG 3.42Å; L103-C148 HydrophobicContact CD2-CB 4.45Å
104T49.7Very low59.9Low1 Ų127 Ų271%0.00614%0.14CC..Hα-helixtrans-70-31.9176.189.40000111.7N101 V102 Y106 S107 L109 F126 D127 H128N101-T104 WeakPolarHBondContact CB-OG1 3.16Å; N101-T104 VanDerWaalsContact CG-CB 3.43Å; N101-T104 VanDerWaalsContact CG-CG2 3.41Å; N101-T104 VanDerWaalsContact ND2-CG2 3.29Å; N101-T104 WeakPolarHBondContact ND2-CG2 3.42Å; N101-T104 PolarHBondContact ND2-OG1 2.73Å; N101-T104 WeakPolarHBondContact OD1-CA 3.37Å; N101-T104 WeakPolarHBondContact OD1-CB 3.47Å; N101-T104 WeakPolarHBondContact OD1-CG2 3.37Å; N101-T104 PolarHBondContact OD1-N 3.23Å; N101-T104 PolarHBondContact OD1-OG1 3.39Å; V102-T104 PolarHBondContact O-N 3.41Å; T104-Y106 VanDerWaalsContact C-N 3.29Å; T104-Y106 PolarHBondContact O-N 2.96Å; T104-S107 VanDerWaalsContact O-O 3.05Å; T104-L109 HydrophobicContact CG2-CB 3.78Å; T104-L109 HydrophobicContact CG2-CD2 3.42Å; T104-L109 VanDerWaalsContact CG2-CD2 3.42Å; T104-L109 HydrophobicContact CG2-CG 4.23Å; T104-F126 HydrophobicContact CG2-CB 3.91Å; T104-D127 VanDerWaalsContact CB-O 3.24Å; T104-D127 WeakPolarHBondContact CB-O 3.4Å; T104-D127 PolarHBondContact OG1-O 3.34Å; T104-H128 WeakPolarHBondContact O-CA 3.47Å; T104-H128 PolarHBondContact O-ND1 3.19Å; T104-H128 PolarHBondContact OG1-O 2.94Å
105A50.5Low62.3Low11 Ų1125.2 Ų25.29%0.09113%0.132CC..Hα-helixtrans-65.7-37.3169.700000110.5N101 V102 S154N101-A105 VanDerWaalsContact O-CA 3.3Å; N101-A105 WeakPolarHBondContact O-CA 3.18Å; N101-A105 WeakPolarHBondContact O-CB 2.94Å; N101-A105 PolarHBondContact O-N 3.39Å; V102-A105 PolarHBondContact O-N 3.1Å; A105-S154 WeakPolarHBondContact O-CB 3.31Å; A105-S154 PolarHBondContact O-OG 3.17Å
106Y59.1Low64.9Low3 Ų328 Ų281%0.01216%0.157CC..Hα-helixtrans-84.3-24.9-174.4-67.5-49.3000114.8C11 V102 L103 T104 C151 F152 E153 F155 R158C11-Y106 HydrophobicContact CB-CE2 4.31Å; C11-Y106 WeakPolarHBondContact CB-OH 3.34Å; C11-Y106 PolarHBondContact O-OH 3.47Å; V102-Y106 HydrophobicContact CB-CD2 4.21Å; V102-Y106 HydrophobicContact CB-CE2 3.86Å; V102-Y106 HydrophobicContact CG1-CD2 3.6Å; V102-Y106 HydrophobicContact CG1-CE2 3.28Å; V102-Y106 HydrophobicContact CG2-CE2 4.22Å; V102-Y106 VanDerWaalsContact O-CB 3.27Å; V102-Y106 WeakPolarHBondContact O-CB 3.36Å; V102-Y106 WeakPolarHBondContact O-CD2 3.41Å; V102-Y106 WeakPolarHBondContact O-CE2 3.28Å; V102-Y106 PolarHBondContact O-N 3.23Å; L103-Y106 CarbonylContact O-C 3.57Å; L103-Y106 PolarHBondContact O-N 3.39Å; T104-Y106 VanDerWaalsContact C-N 3.29Å; T104-Y106 PolarHBondContact O-N 2.96Å; Y106-C151 CarbonylContact O-C 3.57Å; Y106-F152 AromaticContact CD1-CD1 3.46Å; Y106-F152 HydrophobicContact CD1-CD1 3.46Å; Y106-F152 VanDerWaalsContact CD1-CD1 3.46Å; Y106-F152 HydrophobicContact CD1-CE1 4.09Å; Y106-F152 HydrophobicContact CD1-CG 4.4Å; Y106-F152 HydrophobicContact CD2-CD1 4.16Å; Y106-F152 AromaticContact CD2-CE1 4Å; Y106-F152 HydrophobicContact CD2-CE1 4Å; Y106-F152 AromaticContact CE1-CD1 3.8Å; Y106-F152 HydrophobicContact CE1-CD1 3.8Å; Y106-F152 HydrophobicContact CE1-CE1 4.23Å; Y106-F152 HydrophobicContact CE2-CD1 4.5Å; Y106-F152 HydrophobicContact CE2-CE1 4.19Å; Y106-F152 AromaticContact CG-CD1 3.7Å; Y106-F152 HydrophobicContact CG-CD1 3.7Å; Y106-F152 HydrophobicContact CG-CE1 4.01Å; Y106-F152 CarbonylContact O-C 3.57Å; Y106-F152 VanDerWaalsContact O-CA 3.3Å; Y106-F152 WeakPolarHBondContact O-CA 3.26Å; Y106-F152 PolarHBondContact O-N 3.39Å; Y106-E153 PolarHBondContact O-N 2.83Å; Y106-F155 AromaticContact CD1-CD2 3.29Å; Y106-F155 HydrophobicContact CD1-CD2 3.29Å; Y106-F155 AromaticContact CD1-CE2 3.38Å; Y106-F155 HydrophobicContact CD1-CE2 3.38Å; Y106-F155 HydrophobicContact CD1-CG 4.25Å; Y106-F155 HydrophobicContact CD1-CZ 4.37Å; Y106-F155 HydrophobicContact CE1-CD1 4.42Å; Y106-F155 AromaticContact CE1-CD2 3.22Å; Y106-F155 HydrophobicContact CE1-CD2 3.22Å; Y106-F155 HydrophobicContact CE1-CE1 4.31Å; Y106-F155 AromaticContact CE1-CE2 3.1Å; Y106-F155 HydrophobicContact CE1-CE2 3.1Å; Y106-F155 AromaticContact CE1-CG 3.91Å; Y106-F155 HydrophobicContact CE1-CG 3.91Å; Y106-F155 AromaticContact CE1-CZ 3.67Å; Y106-F155 HydrophobicContact CE1-CZ 3.67Å; Y106-R158 PolarHBondContact OH-NH1 2.82Å
107S62.8Low67.5Low1 Ų134.9 Ų34.91%0.00719%0.193CC..SBendtrans-149.5155.9-166.264.70000110.6L103 T104 L109 K149L103-S107 WeakPolarHBondContact O-CA 3.33Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 2.93Å; L103-S107 PolarHBondContact O-OG 3.42Å; T104-S107 VanDerWaalsContact O-O 3.05Å; S107-L109 PolarHBondContact O-N 3.31Å; S107-K149 CarbonylContact C-O 3.51Å; S107-K149 WeakPolarHBondContact CA-O 3.37Å; S107-K149 WeakPolarHBondContact CB-O 3.48Å
108S80.8Confident70.1Confident54 Ų5437.1 Ų37.138%0.37820%0.204SC..EExtended strand (participates in β ladder)trans-72.8109.7165.3-64.70000107.9K149S108-K149 PolarHBondContact N-O 3.14Å; S108-K149 PolarHBondContact O-N 2.67Å
109L86.1Confident73Confident7 Ų741.1 Ų41.14%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-92.7128.5-178.2-175.367.3000110.3T104 S107 I111 F126 V146 T147 C148T104-L109 HydrophobicContact CG2-CB 3.78Å; T104-L109 HydrophobicContact CG2-CD2 3.42Å; T104-L109 VanDerWaalsContact CG2-CD2 3.42Å; T104-L109 HydrophobicContact CG2-CG 4.23Å; S107-L109 PolarHBondContact O-N 3.31Å; L109-I111 HydrophobicContact CD2-CD1 4.21Å; L109-I111 HydrophobicContact CD2-CG1 4.43Å; L109-I111 HydrophobicContact CG-CG1 4.26Å; L109-F126 HydrophobicContact CB-CB 4.4Å; L109-F126 HydrophobicContact CD2-CD2 4.13Å; L109-F126 HydrophobicContact CD2-CG 4.46Å; L109-F126 HydrophobicContact CG-CD2 4.25Å; L109-F126 PolarHBondContact O-N 3.34Å; L109-F126 VanDerWaalsContact O-N 3.09Å; L109-V146 HydrophobicContact CD1-CG1 3.61Å; L109-T147 WeakPolarHBondContact CA-O 3.35Å; L109-C148 VanDerWaalsContact CD1-SG 3.54Å
110T91Very high76Confident32 Ų3236.2 Ų36.220%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-128.6126172.2-54.40000109.4T123 L124 E125 T147T110-T123 HydrophobicContact CG2-CG2 3.54Å; T110-L124 CarbonylContact C-O 3.58Å; T110-L124 WeakPolarHBondContact CA-O 3.06Å; T110-E125 HydrophobicContact CG2-CG 4.31Å; T110-T147 PolarHBondContact N-O 2.92Å; T110-T147 PolarHBondContact O-N 3.14Å
111I92.9Very high78.5Confident0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-114.8122.4177.2-58.9179.6000108.2I58 I66 L109 T123 L124 F126 T144 T145 V146I58-I111 HydrophobicContact CD1-CG2 4.29Å; I66-I111 HydrophobicContact CG2-CD1 3.65Å; L109-I111 HydrophobicContact CD2-CD1 4.21Å; L109-I111 HydrophobicContact CD2-CG1 4.43Å; L109-I111 HydrophobicContact CG-CG1 4.26Å; I111-T123 CarbonylContact O-C 3.24Å; I111-T123 WeakPolarHBondContact O-CA 3.08Å; I111-L124 PolarHBondContact N-O 3.42Å; I111-L124 PolarHBondContact O-N 2.93Å; I111-F126 HydrophobicContact CB-CE2 4.03Å; I111-F126 HydrophobicContact CD1-CD2 4.43Å; I111-F126 HydrophobicContact CD1-CE2 3.65Å; I111-F126 HydrophobicContact CD1-CZ 4.12Å; I111-F126 HydrophobicContact CG1-CD2 4.42Å; I111-F126 HydrophobicContact CG1-CE2 3.8Å; I111-T144 HydrophobicContact CG2-CG2 3.82Å; I111-T145 CarbonylContact C-O 3.56Å; I111-T145 WeakPolarHBondContact CA-O 3.47Å; I111-V146 HydrophobicContact CG1-CG1 4.29Å; I111-V146 HydrophobicContact CG1-CG2 4.36Å
112T95.5Very high80.9Confident25 Ų2535.1 Ų35.115%0.15321%0.207CC..EExtended strand (participates in β ladder)trans-111.1118.1173-48.60000107.9H122 C138 R140 T144 T145T112-H122 CarbonylContact C-O 3.6Å; T112-H122 WeakPolarHBondContact CA-O 2.8Å; T112-C138 VanDerWaalsContact CG2-SG 3.59Å; T112-R140 HydrophobicContact CG2-CG 4.33Å; T112-R140 PolarHBondContact O-NE 2.9Å; T112-R140 PolarHBondContact O-NH1 2.91Å; T112-T144 CarbonylContact O-C 3.49Å; T112-T144 WeakPolarHBondContact O-CA 3.28Å; T112-T145 PolarHBondContact N-O 3.36Å; T112-T145 PolarHBondContact O-N 2.59Å
113T95.8Very high83.1Confident0 Ų036.3 Ų36.30%021%0.214CC..EExtended strand (participates in β ladder)trans-142.4152.7-173.5-166.60000112.2I58 F63 G121 H122 G143 T144I58-T113 HydrophobicContact CB-CG2 3.88Å; I58-T113 HydrophobicContact CD1-CG2 4.45Å; I58-T113 HydrophobicContact CG1-CG2 4.43Å; I58-T113 PolarHBondContact N-OG1 3.47Å; F63-T113 HydrophobicContact CE1-CG2 3.64Å; F63-T113 HydrophobicContact CZ-CG2 4.03Å; T113-G121 CarbonylContact O-C 3.53Å; T113-G121 VanDerWaalsContact O-CA 3.26Å; T113-G121 WeakPolarHBondContact O-CA 3.38Å; T113-H122 PolarHBondContact N-O 2.91Å; T113-H122 PolarHBondContact O-N 3.39Å; T113-G143 WeakPolarHBondContact CA-O 3.38Å; T113-G143 PolarHBondContact OG1-O 2.89Å; T113-T144 PolarHBondContact OG1-OG1 2.66Å
114R95.7Very high85.1Confident69 Ų6935.9 Ų35.926%0.2621%0.212SC..EExtended strand (participates in β ladder)trans-140.6120.6168.5-168.7-175.497.3-178.818.2109.1E118 R140 V142 G143R114-E118 HydrophobicContact CG-CB 4.25Å; R114-R140 VanDerWaalsContact CD-O 3.29Å; R114-R140 WeakPolarHBondContact CD-O 3.47Å; R114-R140 PolarHBondContact NH1-O 3.32Å; R114-V142 VanDerWaalsContact NH2-CG2 3.32Å; R114-V142 WeakPolarHBondContact O-CA 3.48Å; R114-G143 PolarHBondContact N-O 3.47Å; R114-G143 VanDerWaalsContact N-O 3.12Å; R114-G143 PolarHBondContact O-N 3.33Å; R114-G143 VanDerWaalsContact O-N 3.16Å
115G93Very high87.1Confident6 Ų638.8 Ų38.86%0.06223%0.226CC..  trans-68.5156.2169.500000112L117 E118G115-L117 VanDerWaalsContact C-N 3.26Å; G115-L117 PolarHBondContact O-N 2.83Å; G115-E118 PolarHBondContact O-N 2.94Å
116A89.3Confident88.8Confident71 Ų7139 Ų3959%0.58722%0.224SC*.THydrogen-bonded Turntrans-61-33.3-179.800000113.6R56 V142R56-A116 PolarHBondContact O-N 2.91Å; A116-V142 HydrophobicContact CB-CG1 4.22Å
117L89.7Confident89.9Confident177 Ų17741.2 Ų41.293%0.92724%0.237SC*.THydrogen-bonded Turntrans-87.8-7.5179.9-59.2176.6000113.4G115G115-L117 VanDerWaalsContact C-N 3.26Å; G115-L117 PolarHBondContact O-N 2.83Å
118E89.8Confident90.4Very high55 Ų5545.8 Ų45.826%0.25726%0.257SS..  trans-88.9131.7-174.9-63.9-69.8171.300111A60 R114 G115 V120A60-E118 WeakPolarHBondContact CB-OE1 3.43Å; A60-E118 PolarHBondContact N-OE1 3.48Å; R114-E118 HydrophobicContact CG-CB 4.25Å; G115-E118 PolarHBondContact O-N 2.94Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 2.68Å
119P90.8Very high89.9Confident113 Ų11346.6 Ų46.673%0.73426%0.263SS*.SBendtrans-70.4-28.5-178.427-33.6000112.9
120V93.9Very high89.1Confident72 Ų7246.7 Ų46.744%0.43627%0.266SS..SBendtrans-134.9148.2-177.8-73.80000111.2E118E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 2.68Å
121G94.7Very high88.6Confident1 Ų149.5 Ų49.51%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-79.3162.3172.500000111.7T113 A137 C138T113-G121 CarbonylContact O-C 3.53Å; T113-G121 VanDerWaalsContact O-CA 3.26Å; T113-G121 WeakPolarHBondContact O-CA 3.38Å; G121-A137 CarbonylContact O-C 3.53Å; G121-A137 WeakPolarHBondContact O-CA 3.46Å; G121-C138 CarbonylContact C-O 3.51Å; G121-C138 WeakPolarHBondContact CA-O 3.28Å; G121-C138 PolarHBondContact N-O 2.92Å; G121-C138 VanDerWaalsContact N-O 3.14Å; G121-C138 PolarHBondContact O-N 3.13Å
122H96.3Very high88.3Confident28 Ų2851.6 Ų51.613%0.1329%0.29CS..EExtended strand (participates in β ladder)trans-128.4137.3175.4-68.685.4000110.8F63 T112 T113 L124 K135 V136F63-H122 HydrophobicContact CE2-CB 3.59Å; F63-H122 AromaticContact CE2-CG 3.61Å; F63-H122 AromaticContact CE2-ND1 3.78Å; F63-H122 HydrophobicContact CZ-CB 3.8Å; F63-H122 AromaticContact CZ-ND1 3.93Å; T112-H122 CarbonylContact C-O 3.6Å; T112-H122 WeakPolarHBondContact CA-O 2.8Å; T113-H122 PolarHBondContact N-O 2.91Å; T113-H122 PolarHBondContact O-N 3.39Å; H122-L124 HydrophobicContact CB-CD2 4.3Å; H122-K135 WeakPolarHBondContact CD2-CE 3.1Å; H122-V136 CarbonylContact C-O 3.54Å; H122-V136 WeakPolarHBondContact CA-O 3.15Å
123T96.3Very high88.1Confident28 Ų2858.2 Ų58.217%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-97123.7165.5-55.80000108.5T110 I111 K135 V136 C138T110-T123 HydrophobicContact CG2-CG2 3.54Å; I111-T123 CarbonylContact O-C 3.24Å; I111-T123 WeakPolarHBondContact O-CA 3.08Å; T123-K135 WeakPolarHBondContact O-CA 3.3Å; T123-V136 PolarHBondContact N-O 3.33Å; T123-V136 PolarHBondContact O-N 3.44Å; T123-C138 PolarHBondContact OG1-SG 3.16Å
124L93.4Very high87.9Confident0 Ų063.2 Ų63.20%034%0.339CS..EExtended strand (participates in β ladder)trans-114.3119.1-179.6-51.8177.5000108.5F63 I66 T110 I111 H122 F126 I132 K134 K135F63-L124 HydrophobicContact CB-CD1 3.95Å; F63-L124 HydrophobicContact CD1-CD1 3.83Å; F63-L124 HydrophobicContact CD2-CD1 3.98Å; F63-L124 HydrophobicContact CD2-CD2 3.79Å; F63-L124 HydrophobicContact CD2-CG 4.45Å; F63-L124 HydrophobicContact CE1-CD1 4.29Å; F63-L124 HydrophobicContact CE2-CD1 4.44Å; F63-L124 HydrophobicContact CE2-CD2 4.13Å; F63-L124 HydrophobicContact CG-CD1 3.65Å; F63-L124 HydrophobicContact CG-CD2 4.3Å; I66-L124 HydrophobicContact CD1-CD1 3.71Å; T110-L124 CarbonylContact C-O 3.58Å; T110-L124 WeakPolarHBondContact CA-O 3.06Å; I111-L124 PolarHBondContact N-O 3.42Å; I111-L124 PolarHBondContact O-N 2.93Å; H122-L124 HydrophobicContact CB-CD2 4.3Å; L124-F126 HydrophobicContact CB-CD2 4.44Å; L124-F126 HydrophobicContact CB-CE2 3.61Å; L124-F126 HydrophobicContact CB-CZ 3.92Å; L124-F126 HydrophobicContact CD1-CE2 4.47Å; L124-F126 HydrophobicContact CD1-CZ 4.11Å; L124-I132 HydrophobicContact CD2-CD1 4.43Å; L124-K134 WeakPolarHBondContact CA-O 3.24Å; L124-K135 HydrophobicContact CD2-CB 4.04Å; L124-K135 HydrophobicContact CD2-CD 4.21Å; L124-K135 HydrophobicContact CD2-CG 3.76Å
125E91.8Very high87.8Confident62 Ų6265.4 Ų65.429%0.2935%0.35SS..EExtended strand (participates in β ladder)trans-100.2128.9171.3-62.6175-159.300108.8T110 I132 K133 K134T110-E125 HydrophobicContact CG2-CG 4.31Å; E125-I132 CarbonylContact O-C 3.35Å; E125-K133 PolarHBondContact O-N 2.87Å; E125-K134 HydrophobicContact CB-CB 4.03Å; E125-K134 HydrophobicContact CG-CB 4.28Å; E125-K134 PolarHBondContact N-O 3.19Å; E125-K134 PolarHBondContact O-N 3.44Å; E125-K134 WeakPolarHBondContact OE1-CD 3.47Å; E125-K134 IonicContact OE1-NZ 2.59Å
126F85.4Confident88Confident14 Ų1468 Ų686%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-106.1145.6-178-63.8-96000111.7I66 C67 T104 L109 I111 L124 N131 I132I66-F126 HydrophobicContact CB-CZ 4.34Å; I66-F126 HydrophobicContact CD1-CZ 4.26Å; I66-F126 HydrophobicContact CG2-CZ 4.43Å; C67-F126 HydrophobicContact CB-CD1 4.17Å; C67-F126 HydrophobicContact CB-CE1 4.2Å; T104-F126 HydrophobicContact CG2-CB 3.91Å; L109-F126 HydrophobicContact CB-CB 4.4Å; L109-F126 HydrophobicContact CD2-CD2 4.13Å; L109-F126 HydrophobicContact CD2-CG 4.46Å; L109-F126 HydrophobicContact CG-CD2 4.25Å; L109-F126 PolarHBondContact O-N 3.34Å; L109-F126 VanDerWaalsContact O-N 3.09Å; I111-F126 HydrophobicContact CB-CE2 4.03Å; I111-F126 HydrophobicContact CD1-CD2 4.43Å; I111-F126 HydrophobicContact CD1-CE2 3.65Å; I111-F126 HydrophobicContact CD1-CZ 4.12Å; I111-F126 HydrophobicContact CG1-CD2 4.42Å; I111-F126 HydrophobicContact CG1-CE2 3.8Å; L124-F126 HydrophobicContact CB-CD2 4.44Å; L124-F126 HydrophobicContact CB-CE2 3.61Å; L124-F126 HydrophobicContact CB-CZ 3.92Å; L124-F126 HydrophobicContact CD1-CE2 4.47Å; L124-F126 HydrophobicContact CD1-CZ 4.11Å; F126-N131 CarbonylContact C-O 3.59Å; F126-N131 VanDerWaalsContact CA-O 3.29Å; F126-N131 WeakPolarHBondContact CA-O 3.44Å; F126-I132 HydrophobicContact CD1-CG1 4.08Å; F126-I132 HydrophobicContact CE1-CD1 4.45Å; F126-I132 HydrophobicContact CE1-CG1 3.61Å; F126-I132 HydrophobicContact CZ-CG1 4.15Å
127D82.4Confident88.3Confident51 Ų5167.8 Ų67.827%0.27336%0.363SS..  trans-78.8170.5167.374.312.9000111.8T104 S129 G130 N131T104-D127 VanDerWaalsContact CB-O 3.24Å; T104-D127 WeakPolarHBondContact CB-O 3.4Å; T104-D127 PolarHBondContact OG1-O 3.34Å; D127-S129 PolarHBondContact O-N 3.18Å; D127-S129 VanDerWaalsContact O-N 3.07Å; D127-S129 VanDerWaalsContact OD1-C 3.27Å; D127-S129 VanDerWaalsContact OD1-CA 3.24Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 VanDerWaalsContact OD1-CB 3.27Å; D127-S129 WeakPolarHBondContact OD1-CB 3.21Å; D127-S129 PolarHBondContact OD1-N 2.83Å; D127-G130 PolarHBondContact O-N 2.91Å; D127-G130 PolarHBondContact OD1-N 3.25Å; D127-N131 PolarHBondContact N-O 3Å; D127-N131 PolarHBondContact OD1-N 3.42Å; D127-N131 WeakPolarHBondContact OD2-CB 3.21Å; D127-N131 PolarHBondContact OD2-ND2 3.27Å; D127-N131 VanDerWaalsContact OD2-ND2 3.08Å
128H74.7Confident88.5Confident96 Ų9660.8 Ų60.844%0.44433%0.329SS..THydrogen-bonded Turntrans-65.9-6.8177.3-62.2-60000114.2T104T104-H128 WeakPolarHBondContact O-CA 3.47Å; T104-H128 PolarHBondContact O-ND1 3.19Å; T104-H128 PolarHBondContact OG1-O 2.94Å
129S69Low88.7Confident71 Ų7163.5 Ų63.550%0.49736%0.36SS..THydrogen-bonded Turntrans-96.7-8.4175.5-57.40000112.4D127D127-S129 PolarHBondContact O-N 3.18Å; D127-S129 VanDerWaalsContact O-N 3.07Å; D127-S129 VanDerWaalsContact OD1-C 3.27Å; D127-S129 VanDerWaalsContact OD1-CA 3.24Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 VanDerWaalsContact OD1-CB 3.27Å; D127-S129 WeakPolarHBondContact OD1-CB 3.21Å; D127-S129 PolarHBondContact OD1-N 2.83Å
130G69.9Low88.8Confident9 Ų960.4 Ų60.49%0.09333%0.334CS..SBendtrans9010.5-17800000114.3C67 D127C67-G130 VanDerWaalsContact CB-O 3.27Å; C67-G130 WeakPolarHBondContact CB-O 3.36Å; D127-G130 PolarHBondContact O-N 2.91Å; D127-G130 PolarHBondContact OD1-N 3.25Å
131N80.7Confident88.8Confident91 Ų9164.9 Ų64.949%0.48735%0.35SS..  trans-89.2149.5175-48.4-62.3000110.8F126 D127 K133F126-N131 CarbonylContact C-O 3.59Å; F126-N131 VanDerWaalsContact CA-O 3.29Å; F126-N131 WeakPolarHBondContact CA-O 3.44Å; D127-N131 PolarHBondContact N-O 3Å; D127-N131 PolarHBondContact OD1-N 3.42Å; D127-N131 WeakPolarHBondContact OD2-CB 3.21Å; D127-N131 PolarHBondContact OD2-ND2 3.27Å; D127-N131 VanDerWaalsContact OD2-ND2 3.08Å; N131-K133 PolarHBondContact O-N 3.06Å
132I86.7Confident88.9Confident44 Ų4467.1 Ų67.123%0.22636%0.363CS..EExtended strand (participates in β ladder)trans-72.1113175.4-57.1174.7000108.9F63 D64 L124 E125 F126 K134 K135F63-I132 HydrophobicContact CB-CD1 4.04Å; D64-I132 WeakPolarHBondContact OD1-CD1 3.34Å; L124-I132 HydrophobicContact CD2-CD1 4.43Å; E125-I132 CarbonylContact O-C 3.35Å; F126-I132 HydrophobicContact CD1-CG1 4.08Å; F126-I132 HydrophobicContact CE1-CD1 4.45Å; F126-I132 HydrophobicContact CE1-CG1 3.61Å; F126-I132 HydrophobicContact CZ-CG1 4.15Å; I132-K134 WeakPolarHBondContact CG2-O 3.48Å; I132-K135 HydrophobicContact CG2-CB 4.3Å
133K89.8Confident88.9Confident164 Ų16465.8 Ų65.871%0.71336%0.357SS*.EExtended strand (participates in β ladder)trans-78.2-37.1173.3-177-178.3178-175.50111.5E125 N131E125-K133 PolarHBondContact O-N 2.87Å; N131-K133 PolarHBondContact O-N 3.06Å
134K92.4Very high88.8Confident106 Ų10665 Ų6546%0.46135%0.352SS..EExtended strand (participates in β ladder)trans-150135.3-175.7-163.4-171.9178.8-168.50110.5L124 E125 I132 V136L124-K134 WeakPolarHBondContact CA-O 3.24Å; E125-K134 HydrophobicContact CB-CB 4.03Å; E125-K134 HydrophobicContact CG-CB 4.28Å; E125-K134 PolarHBondContact N-O 3.19Å; E125-K134 PolarHBondContact O-N 3.44Å; E125-K134 WeakPolarHBondContact OE1-CD 3.47Å; E125-K134 IonicContact OE1-NZ 2.59Å; I132-K134 WeakPolarHBondContact CG2-O 3.48Å; K134-V136 HydrophobicContact CD-CG2 3.93Å; K134-V136 VanDerWaalsContact CE-CG2 3.49Å; K134-V136 HydrophobicContact CG-CG2 3.87Å
135K94.4Very high88.9Confident114 Ų11465.5 Ų65.550%0.49636%0.355SS..EExtended strand (participates in β ladder)trans-123.7121.1173.5174.7176176.5178.80108.5F63 H122 T123 L124 I132F63-K135 HydrophobicContact CD2-CD 4.34Å; H122-K135 WeakPolarHBondContact CD2-CE 3.1Å; T123-K135 WeakPolarHBondContact O-CA 3.3Å; L124-K135 HydrophobicContact CD2-CB 4.04Å; L124-K135 HydrophobicContact CD2-CD 4.21Å; L124-K135 HydrophobicContact CD2-CG 3.76Å; I132-K135 HydrophobicContact CG2-CB 4.3Å
136V96Very high89Confident61 Ų6163 Ų6337%0.3735%0.345SS..EExtended strand (participates in β ladder)trans-129.9129.2-178.2-171.50000109.7H122 T123 K134H122-V136 CarbonylContact C-O 3.54Å; H122-V136 WeakPolarHBondContact CA-O 3.15Å; T123-V136 PolarHBondContact N-O 3.33Å; T123-V136 PolarHBondContact O-N 3.44Å; K134-V136 HydrophobicContact CD-CG2 3.93Å; K134-V136 VanDerWaalsContact CE-CG2 3.49Å; K134-V136 HydrophobicContact CG-CG2 3.87Å
137A95.6Very high89.3Confident67 Ų6763 Ų6355%0.55435%0.346SS*.EExtended strand (participates in β ladder)trans-67.4136.9171.400000110.3G121G121-A137 CarbonylContact O-C 3.53Å; G121-A137 WeakPolarHBondContact O-CA 3.46Å
138C94.9Very high89.6Confident30 Ų3060.6 Ų60.620%0.20333%0.333CS..EExtended strand (participates in β ladder)trans-144.9151.6-176.164.20000111.8T112 G121 T123 R140T112-C138 VanDerWaalsContact CG2-SG 3.59Å; G121-C138 CarbonylContact C-O 3.51Å; G121-C138 WeakPolarHBondContact CA-O 3.28Å; G121-C138 PolarHBondContact N-O 2.92Å; G121-C138 VanDerWaalsContact N-O 3.14Å; G121-C138 PolarHBondContact O-N 3.13Å; T123-C138 PolarHBondContact OG1-SG 3.16Å; C138-R140 PolarHBondContact O-N 3.38Å
139A93.7Very high90.3Very high111 Ų11160.8 Ų60.892%0.91733%0.332SS*.  trans-72.6119.5170.400000109.3
140R93Very high90.9Very high49 Ų4959.8 Ų59.819%0.18532%0.321CS..  trans-151.9149.3178.5-163.5-164.2170.66913.6109.5T112 R114 C138 G143 T144 T145T112-R140 HydrophobicContact CG2-CG 4.33Å; T112-R140 PolarHBondContact O-NE 2.9Å; T112-R140 PolarHBondContact O-NH1 2.91Å; R114-R140 VanDerWaalsContact CD-O 3.29Å; R114-R140 WeakPolarHBondContact CD-O 3.47Å; R114-R140 PolarHBondContact NH1-O 3.32Å; C138-R140 PolarHBondContact O-N 3.38Å; R140-G143 PolarHBondContact NE-O 3.45Å; R140-T144 PolarHBondContact NH2-O 3.48Å; R140-T145 VanDerWaalsContact NH1-CB 3.31Å; R140-T145 PolarHBondContact NH1-OG1 2.79Å; R140-T145 PolarHBondContact NH2-OG1 3.01Å
141Q94.6Very high91.3Very high166 Ų16659.6 Ų59.678%0.77632%0.318SS*.  trans-75.6170.1164.5-66.6-179.1-16.500110.9
142V95.9Very high91Very high47 Ų4755.8 Ų55.829%0.28530%0.297SS..SBendtrans-61.3136.8175.6-177.20000109.8R114 A116R114-V142 VanDerWaalsContact NH2-CG2 3.32Å; R114-V142 WeakPolarHBondContact O-CA 3.48Å; A116-V142 HydrophobicContact CB-CG1 4.22Å
143G95.5Very high90.6Very high0 Ų058 Ų580%031%0.307CS..EExtended strand (participates in β ladder)trans124.9-177.8-177.600000113.1G55 T113 R114 R140G55-G143 VanDerWaalsContact O-CA 3.26Å; G55-G143 WeakPolarHBondContact O-CA 3.47Å; G55-G143 PolarHBondContact O-N 3.2Å; T113-G143 WeakPolarHBondContact CA-O 3.38Å; T113-G143 PolarHBondContact OG1-O 2.89Å; R114-G143 PolarHBondContact N-O 3.47Å; R114-G143 VanDerWaalsContact N-O 3.12Å; R114-G143 PolarHBondContact O-N 3.33Å; R114-G143 VanDerWaalsContact O-N 3.16Å; R140-G143 PolarHBondContact NE-O 3.45Å
144T95.4Very high89.8Confident11 Ų1152.5 Ų52.57%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-127.3141.8-171.4-54.90000112S52 D53 I58 I111 T112 T113 R140 V146S52-T144 CarbonylContact C-O 3.08Å; S52-T144 WeakPolarHBondContact CA-O 3.36Å; D53-T144 PolarHBondContact N-O 2.65Å; D53-T144 PolarHBondContact O-N 2.99Å; D53-T144 PolarHBondContact OD1-N 3.28Å; D53-T144 WeakPolarHBondContact OD2-CB 3.37Å; D53-T144 VanDerWaalsContact OD2-O 3.12Å; I58-T144 HydrophobicContact CD1-CG2 4.22Å; I111-T144 HydrophobicContact CG2-CG2 3.82Å; T112-T144 CarbonylContact O-C 3.49Å; T112-T144 WeakPolarHBondContact O-CA 3.28Å; T113-T144 PolarHBondContact OG1-OG1 2.66Å; R140-T144 PolarHBondContact NH2-O 3.48Å; T144-V146 HydrophobicContact CG2-CG2 3.98Å
145T96.1Very high88.8Confident11 Ų1148.8 Ų48.87%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-122.3120166.6-62.40000107.3Q50 V51 S52 I111 T112 R140Q50-T145 HydrophobicContact CG-CG2 3.47Å; Q50-T145 VanDerWaalsContact CG-CG2 3.47Å; V51-T145 CarbonylContact O-C 3.58Å; V51-T145 VanDerWaalsContact O-CA 3.3Å; V51-T145 WeakPolarHBondContact O-CA 3.3Å; S52-T145 WeakPolarHBondContact CB-OG1 3.17Å; S52-T145 PolarHBondContact OG-OG1 2.78Å; I111-T145 CarbonylContact C-O 3.56Å; I111-T145 WeakPolarHBondContact CA-O 3.47Å; T112-T145 PolarHBondContact N-O 3.36Å; T112-T145 PolarHBondContact O-N 2.59Å; R140-T145 VanDerWaalsContact NH1-CB 3.31Å; R140-T145 PolarHBondContact NH1-OG1 2.79Å; R140-T145 PolarHBondContact NH2-OG1 3.01Å
146V93Very high88.1Confident11 Ų1148.1 Ų48.17%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-103.8122.9173-174.90000108.3L25 Q50 V51 L109 I111 T144L25-V146 HydrophobicContact CD1-CB 4.37Å; L25-V146 HydrophobicContact CD1-CG1 4.17Å; L25-V146 HydrophobicContact CD2-CB 3.93Å; L25-V146 HydrophobicContact CD2-CG1 3.64Å; L25-V146 HydrophobicContact CD2-CG2 4.17Å; Q50-V146 CarbonylContact C-O 3.5Å; Q50-V146 VanDerWaalsContact CA-O 3.26Å; Q50-V146 WeakPolarHBondContact CA-O 3.22Å; V51-V146 PolarHBondContact N-O 2.98Å; V51-V146 PolarHBondContact O-N 3.4Å; L109-V146 HydrophobicContact CD1-CG1 3.61Å; I111-V146 HydrophobicContact CG1-CG1 4.29Å; I111-V146 HydrophobicContact CG1-CG2 4.36Å; T144-V146 HydrophobicContact CG2-CG2 3.98Å
147T92.3Very high87.4Confident13 Ų1350.9 Ų50.98%0.0830%0.297CS..EExtended strand (participates in β ladder)trans-119.3119-178.4-500000109.2C48 Q50 L109 T110 K149C48-T147 VanDerWaalsContact SG-CG2 3.5Å; Q50-T147 HydrophobicContact CB-CG2 4.4Å; L109-T147 WeakPolarHBondContact CA-O 3.35Å; T110-T147 PolarHBondContact N-O 2.92Å; T110-T147 PolarHBondContact O-N 3.14Å; T147-K149 HydrophobicContact CG2-CG 4.11Å
148C88.8Confident86.5Confident0 Ų051.1 Ų51.10%028%0.284CS..EExtended strand (participates in β ladder)trans-110.9107177.3-59.80000108.7C48 L49 L103 L109C48-C148 WeakPolarHBondContact CA-O 3.43Å; L49-C148 HydrophobicContact CB-CB 4.49Å; L49-C148 PolarHBondContact N-O 3.19Å; L49-C148 PolarHBondContact O-N 3.09Å; L103-C148 HydrophobicContact CD2-CB 4.45Å; L109-C148 VanDerWaalsContact CD1-SG 3.54Å
149K88.8Confident86Confident101 Ų10152.2 Ų52.244%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-100.1143179.4-69-173.4175.4-174.90112.6D47 C48 S107 S108 T147D47-K149 CarbonylContact O-C 3.57Å; D47-K149 WeakPolarHBondContact O-CA 3.38Å; C48-K149 HydrophobicContact CB-CG 4.43Å; S107-K149 CarbonylContact C-O 3.51Å; S107-K149 WeakPolarHBondContact CA-O 3.37Å; S107-K149 WeakPolarHBondContact CB-O 3.48Å; S108-K149 PolarHBondContact N-O 3.14Å; S108-K149 PolarHBondContact O-N 2.67Å; T147-K149 HydrophobicContact CG2-CG 4.11Å
150N82.5Confident85.6Confident50 Ų5052.7 Ų52.727%0.26727%0.265SS..SBendtrans55.455.9179.8-57.5-31.2000113.2D47 F152 E153D47-N150 PolarHBondContact O-N 3.42Å; N150-F152 PolarHBondContact O-N 2.86Å; N150-E153 HydrophobicContact CB-CB 3.98Å; N150-E153 HydrophobicContact CB-CG 4.46Å; N150-E153 WeakPolarHBondContact CB-OE2 3.38Å; N150-E153 PolarHBondContact ND2-OE2 2.87Å; N150-E153 VanDerWaalsContact O-CB 3.29Å; N150-E153 WeakPolarHBondContact O-CB 3.22Å; N150-E153 PolarHBondContact O-N 3.45Å; N150-E153 VanDerWaalsContact O-N 3.09Å
151C77.9Confident85.2Confident4 Ų456 Ų563%0.02728%0.282CS..THydrogen-bonded Turntrans-49.7132.6177.5-66.10000112.5Y106 E153 R159 L162Y106-C151 CarbonylContact O-C 3.57Å; C151-E153 VanDerWaalsContact C-N 3.34Å; C151-E153 PolarHBondContact O-N 2.97Å; C151-R159 PolarHBondContact O-NH1 3.05Å; C151-R159 VanDerWaalsContact O-NH1 3.12Å; C151-L162 HydrophobicContact CB-CD2 4.32Å
152F74.7Confident84.7Confident11 Ų1148.6 Ų48.65%0.04825%0.248CC..THydrogen-bonded Turntrans64.920.3-177.6-48.1-74.9000116.4Y106 N150 S154 F155 R158 R159 L162Y106-F152 AromaticContact CD1-CD1 3.46Å; Y106-F152 HydrophobicContact CD1-CD1 3.46Å; Y106-F152 VanDerWaalsContact CD1-CD1 3.46Å; Y106-F152 HydrophobicContact CD1-CE1 4.09Å; Y106-F152 HydrophobicContact CD1-CG 4.4Å; Y106-F152 HydrophobicContact CD2-CD1 4.16Å; Y106-F152 AromaticContact CD2-CE1 4Å; Y106-F152 HydrophobicContact CD2-CE1 4Å; Y106-F152 AromaticContact CE1-CD1 3.8Å; Y106-F152 HydrophobicContact CE1-CD1 3.8Å; Y106-F152 HydrophobicContact CE1-CE1 4.23Å; Y106-F152 HydrophobicContact CE2-CD1 4.5Å; Y106-F152 HydrophobicContact CE2-CE1 4.19Å; Y106-F152 AromaticContact CG-CD1 3.7Å; Y106-F152 HydrophobicContact CG-CD1 3.7Å; Y106-F152 HydrophobicContact CG-CE1 4.01Å; Y106-F152 CarbonylContact O-C 3.57Å; Y106-F152 VanDerWaalsContact O-CA 3.3Å; Y106-F152 WeakPolarHBondContact O-CA 3.26Å; Y106-F152 PolarHBondContact O-N 3.39Å; N150-F152 PolarHBondContact O-N 2.86Å; F152-S154 VanDerWaalsContact C-N 3.3Å; F152-S154 PolarHBondContact O-N 3.44Å; F152-F155 CarbonylContact O-C 3.58Å; F152-F155 PolarHBondContact O-N 2.88Å; F152-R158 HydrophobicContact CB-CB 4.26Å; F152-R158 HydrophobicContact CD1-CB 4.49Å; F152-R158 HydrophobicContact CG-CB 4.44Å; F152-R159 HydrophobicContact CB-CB 4.2Å; F152-R159 WeakPolarHBondContact O-CB 3.31Å; F152-L162 HydrophobicContact CD2-CB 4.32Å; F152-L162 HydrophobicContact CD2-CD2 3.6Å; F152-L162 HydrophobicContact CD2-CG 4.47Å; F152-L162 HydrophobicContact CE2-CD2 3.92Å
153E78Confident84.4Confident91 Ų9150.2 Ų50.243%0.42526%0.255SS..THydrogen-bonded Turntrans-52.9-43.4-179.6-175.2165.6-16400113.6Y106 N150 C151 F155Y106-E153 PolarHBondContact O-N 2.83Å; N150-E153 HydrophobicContact CB-CB 3.98Å; N150-E153 HydrophobicContact CB-CG 4.46Å; N150-E153 WeakPolarHBondContact CB-OE2 3.38Å; N150-E153 PolarHBondContact ND2-OE2 2.87Å; N150-E153 VanDerWaalsContact O-CB 3.29Å; N150-E153 WeakPolarHBondContact O-CB 3.22Å; N150-E153 PolarHBondContact O-N 3.45Å; N150-E153 VanDerWaalsContact O-N 3.09Å; C151-E153 VanDerWaalsContact C-N 3.34Å; C151-E153 PolarHBondContact O-N 2.97Å; E153-F155 PolarHBondContact O-N 2.88Å; E153-F155 VanDerWaalsContact O-N 3.16Å
154S71.6Confident84.2Confident48 Ų4859 Ų5934%0.33629%0.288SS..THydrogen-bonded Turntrans-72-3.8178.261.80000114.8A105 F152A105-S154 WeakPolarHBondContact O-CB 3.31Å; A105-S154 PolarHBondContact O-OG 3.17Å; F152-S154 VanDerWaalsContact C-N 3.3Å; F152-S154 PolarHBondContact O-N 3.44Å
155F73.2Confident83.8Confident29 Ų2962 Ų6213%0.12730%0.303CS..  trans-126.681.2178.7-64.9-102000110.4K8 Y106 F152 E153 V157 R158 R159K8-F155 HydrophobicContact CB-CE1 3.86Å; K8-F155 HydrophobicContact CB-CZ 4.14Å; K8-F155 HydrophobicContact CD-CE1 4.24Å; K8-F155 HydrophobicContact CG-CE1 3.72Å; K8-F155 HydrophobicContact CG-CZ 3.72Å; Y106-F155 AromaticContact CD1-CD2 3.29Å; Y106-F155 HydrophobicContact CD1-CD2 3.29Å; Y106-F155 AromaticContact CD1-CE2 3.38Å; Y106-F155 HydrophobicContact CD1-CE2 3.38Å; Y106-F155 HydrophobicContact CD1-CG 4.25Å; Y106-F155 HydrophobicContact CD1-CZ 4.37Å; Y106-F155 HydrophobicContact CE1-CD1 4.42Å; Y106-F155 AromaticContact CE1-CD2 3.22Å; Y106-F155 HydrophobicContact CE1-CD2 3.22Å; Y106-F155 HydrophobicContact CE1-CE1 4.31Å; Y106-F155 AromaticContact CE1-CE2 3.1Å; Y106-F155 HydrophobicContact CE1-CE2 3.1Å; Y106-F155 AromaticContact CE1-CG 3.91Å; Y106-F155 HydrophobicContact CE1-CG 3.91Å; Y106-F155 AromaticContact CE1-CZ 3.67Å; Y106-F155 HydrophobicContact CE1-CZ 3.67Å; F152-F155 CarbonylContact O-C 3.58Å; F152-F155 PolarHBondContact O-N 2.88Å; E153-F155 PolarHBondContact O-N 2.88Å; E153-F155 VanDerWaalsContact O-N 3.16Å; F155-V157 VanDerWaalsContact C-N 3.26Å; F155-V157 PolarHBondContact O-N 3.46Å; F155-V157 VanDerWaalsContact O-N 3.08Å; F155-R158 HydrophobicContact CB-CB 3.99Å; F155-R158 HydrophobicContact CB-CG 4.3Å; F155-R158 PolarHBondContact O-N 2.84Å; F155-R159 PolarHBondContact O-N 3.24Å
156P79.7Confident83.6Confident100 Ų10062.8 Ų62.865%0.64931%0.307SS*.Hα-helixtrans-53.8-38.2-171.7-28.734.8000114.4K160P156-K160 VanDerWaalsContact O-CB 3.31Å; P156-K160 WeakPolarHBondContact O-CB 3.38Å; P156-K160 PolarHBondContact O-N 3.33Å
157V81Confident83.5Confident119 Ų11970.7 Ų70.772%0.72134%0.341SS*.Hα-helixtrans-64.9-44.7178.1-179.10000111.3F155 K160 Q161F155-V157 VanDerWaalsContact C-N 3.26Å; F155-V157 PolarHBondContact O-N 3.46Å; F155-V157 VanDerWaalsContact O-N 3.08Å; V157-K160 PolarHBondContact O-N 3.38Å; V157-Q161 WeakPolarHBondContact O-CB 3.36Å; V157-Q161 PolarHBondContact O-N 2.8Å
158R76.6Confident83.4Confident72 Ų7276.7 Ų76.727%0.27237%0.366SS..Hα-helixtrans-70.8-40.8178.3-70-171-178.4164.56.7111.7Y106 F152 F155 K160 Q161 L162Y106-R158 PolarHBondContact OH-NH1 2.82Å; F152-R158 HydrophobicContact CB-CB 4.26Å; F152-R158 HydrophobicContact CD1-CB 4.49Å; F152-R158 HydrophobicContact CG-CB 4.44Å; F155-R158 HydrophobicContact CB-CB 3.99Å; F155-R158 HydrophobicContact CB-CG 4.3Å; F155-R158 PolarHBondContact O-N 2.84Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.25Å; R158-Q161 CarbonylContact O-C 3.59Å; R158-Q161 WeakPolarHBondContact O-CB 3.32Å; R158-Q161 PolarHBondContact O-N 2.89Å; R158-Q161 VanDerWaalsContact O-N 3.11Å; R158-L162 PolarHBondContact O-N 3.09Å
159R83.1Confident83.4Confident53 Ų5377.7 Ų77.720%0.237%0.37CS..Hα-helixtrans-57.5-47.3172.6-176.1163.4177.579.4-0.8111.1A46 C151 F152 F155 Q161 L162 L163A46-R159 PolarHBondContact O-NH1 3.08Å; C151-R159 PolarHBondContact O-NH1 3.05Å; C151-R159 VanDerWaalsContact O-NH1 3.12Å; F152-R159 HydrophobicContact CB-CB 4.2Å; F152-R159 WeakPolarHBondContact O-CB 3.31Å; F155-R159 PolarHBondContact O-N 3.24Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 3.35Å; R159-L162 PolarHBondContact O-N 3.41Å; R159-L163 HydrophobicContact CG-CD1 4.08Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CG 3.29Å; R159-L163 WeakPolarHBondContact O-CG 3.45Å; R159-L163 PolarHBondContact O-N 3.18Å
160K86.4Confident83.6Confident120 Ų12073.8 Ų73.852%0.52235%0.353SS..Hα-helixtrans-60.8-38175.7-167.9173.7-172.6173.70112.1P156 V157 R158 R164P156-K160 VanDerWaalsContact O-CB 3.31Å; P156-K160 WeakPolarHBondContact O-CB 3.38Å; P156-K160 PolarHBondContact O-N 3.33Å; V157-K160 PolarHBondContact O-N 3.38Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.25Å; K160-R164 WeakPolarHBondContact O-CB 3.26Å; K160-R164 WeakPolarHBondContact O-CG 3.39Å; K160-R164 PolarHBondContact O-N 3.38Å
161Q84.9Confident84.1Confident118 Ų11874 Ų7455%0.55136%0.359SS*.Hα-helixtrans-68.4-41.4175.6-178176.9-5.600112.9V157 R158 R159 R164 N165V157-Q161 WeakPolarHBondContact O-CB 3.36Å; V157-Q161 PolarHBondContact O-N 2.8Å; R158-Q161 CarbonylContact O-C 3.59Å; R158-Q161 WeakPolarHBondContact O-CB 3.32Å; R158-Q161 PolarHBondContact O-N 2.89Å; R158-Q161 VanDerWaalsContact O-N 3.11Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 3.35Å; Q161-R164 PolarHBondContact O-N 2.89Å; Q161-N165 PolarHBondContact O-N 3.47Å; Q161-N165 VanDerWaalsContact O-N 3.14Å; Q161-N165 PolarHBondContact O-ND2 3.41Å; Q161-N165 VanDerWaalsContact O-ND2 3.07Å
162L84Confident84.6Confident12 Ų1277.2 Ų77.26%0.06337%0.373CS..Hα-helixtrans-59.2-54.6174.1171.964.8000109.6C151 F152 R158 R159 R164 N165 L166 E169C151-L162 HydrophobicContact CB-CD2 4.32Å; F152-L162 HydrophobicContact CD2-CB 4.32Å; F152-L162 HydrophobicContact CD2-CD2 3.6Å; F152-L162 HydrophobicContact CD2-CG 4.47Å; F152-L162 HydrophobicContact CE2-CD2 3.92Å; R158-L162 PolarHBondContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 3.41Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.35Å; L162-N165 CarbonylContact O-C 3.49Å; L162-N165 PolarHBondContact O-N 2.59Å; L162-L166 HydrophobicContact CD1-CD1 4.34Å; L162-L166 HydrophobicContact CG-CD1 4.45Å; L162-L166 VanDerWaalsContact O-CA 3.32Å; L162-L166 WeakPolarHBondContact O-CA 3.46Å; L162-L166 PolarHBondContact O-N 3.49Å; L162-E169 HydrophobicContact CD1-CB 4.05Å; L162-E169 HydrophobicContact CD1-CG 3.98Å
163L88.8Confident85.4Confident80 Ų8076.7 Ų76.742%0.41937%0.37SS..Hα-helixtrans-59.7-37.9-178.5-66.1176.4000112.1A46 R159 N165A46-L163 HydrophobicContact CB-CD2 3.68Å; R159-L163 HydrophobicContact CG-CD1 4.08Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CG 3.29Å; R159-L163 WeakPolarHBondContact O-CG 3.45Å; R159-L163 PolarHBondContact O-N 3.18Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 2.93Å
164R90.7Very high86.1Confident184 Ų18472.8 Ų72.869%0.69435%0.352SS*.Hα-helixtrans-64.6-33.6174.6-79.7174.3172.3-175-5.4113.5K160 Q161 L162K160-R164 WeakPolarHBondContact O-CB 3.26Å; K160-R164 WeakPolarHBondContact O-CG 3.39Å; K160-R164 PolarHBondContact O-N 3.38Å; Q161-R164 PolarHBondContact O-N 2.89Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.35Å
165N88.8Confident87Confident74 Ų7472.3 Ų72.340%0.39635%0.346SS..THydrogen-bonded Turntrans-110.216.9-175.4-65.1-59.5000113.3Q161 L162 L163 K167 K168 E169Q161-N165 PolarHBondContact O-N 3.47Å; Q161-N165 VanDerWaalsContact O-N 3.14Å; Q161-N165 PolarHBondContact O-ND2 3.41Å; Q161-N165 VanDerWaalsContact O-ND2 3.07Å; L162-N165 CarbonylContact O-C 3.49Å; L162-N165 PolarHBondContact O-N 2.59Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 2.93Å; N165-K167 VanDerWaalsContact C-N 3.33Å; N165-K167 PolarHBondContact O-N 3.25Å; N165-K168 WeakPolarHBondContact O-CA 3.41Å; N165-K168 WeakPolarHBondContact O-CB 3.38Å; N165-K168 PolarHBondContact O-N 3.4Å; N165-E169 HydrophobicContact CB-CG 4.49Å; N165-E169 PolarHBondContact O-N 2.98Å
166L90.3Very high87.8Confident28 Ų2871.6 Ų71.615%0.14734%0.344CS..Hα-helixtrans-55.1-43.7-166.4-174.166.4000113.3D43 A46 L162 K168 E169 F170D43-L166 WeakPolarHBondContact O-CD2 3.47Å; A46-L166 HydrophobicContact CB-CD1 4.16Å; A46-L166 HydrophobicContact CB-CD2 3.87Å; L162-L166 HydrophobicContact CD1-CD1 4.34Å; L162-L166 HydrophobicContact CG-CD1 4.45Å; L162-L166 VanDerWaalsContact O-CA 3.32Å; L162-L166 WeakPolarHBondContact O-CA 3.46Å; L162-L166 PolarHBondContact O-N 3.49Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 3.03Å; L166-E169 PolarHBondContact O-N 3.47Å; L166-F170 VanDerWaalsContact O-CB 3.29Å; L166-F170 WeakPolarHBondContact O-CB 3.24Å; L166-F170 PolarHBondContact O-N 3.4Å
167K91.4Very high88.5Confident178 Ų17866.9 Ų66.977%0.77431%0.313SS*.Hα-helixtrans-58.6-39.7176.9-68.3-175178.1-179.50112.9N165 S171N165-K167 VanDerWaalsContact C-N 3.33Å; N165-K167 PolarHBondContact O-N 3.25Å; K167-S171 PolarHBondContact O-N 3.22Å
168K90.3Very high89Confident138 Ų13863.5 Ų63.560%0.629%0.287SS*.Hα-helixtrans-72.9-41.5179.8-173.4178-178175.90110.9N165 L166 S171 K172N165-K168 WeakPolarHBondContact O-CA 3.41Å; N165-K168 WeakPolarHBondContact O-CB 3.38Å; N165-K168 PolarHBondContact O-N 3.4Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 3.03Å; K168-S171 PolarHBondContact O-N 2.98Å; K168-K172 WeakPolarHBondContact O-CG 3.45Å; K168-K172 PolarHBondContact O-N 2.77Å; K168-K172 VanDerWaalsContact O-N 3.1Å
169E89.2Confident89.7Confident22 Ų2260.8 Ų60.810%0.10328%0.279CS..Hα-helixtrans-66-39.9176.1-66.5-55129.800111.9T17 L162 N165 L166 K172 L173T17-E169 VanDerWaalsContact CB-OE2 3.31Å; T17-E169 WeakPolarHBondContact CB-OE2 3.26Å; T17-E169 WeakPolarHBondContact CG2-OE2 3.22Å; L162-E169 HydrophobicContact CD1-CB 4.05Å; L162-E169 HydrophobicContact CD1-CG 3.98Å; N165-E169 HydrophobicContact CB-CG 4.49Å; N165-E169 PolarHBondContact O-N 2.98Å; L166-E169 PolarHBondContact O-N 3.47Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-K172 IonicContact OE1-NZ 3.1Å; E169-K172 PolarHBondContact OE1-NZ 2.97Å; E169-K172 IonicContact OE2-NZ 2.71Å; E169-L173 PolarHBondContact O-N 3.4Å
170F93.1Very high90.1Very high18 Ų1858.3 Ų58.38%0.07927%0.27CS..Hα-helixtrans-62.3-45.1172.6178.5-109.3000112V41 Y44 L166 K172 L173 V174 N193 E202V41-F170 HydrophobicContact CG2-CD2 4.17Å; V41-F170 HydrophobicContact CG2-CE2 3.6Å; Y44-F170 AromaticContact CD1-CD1 3.54Å; Y44-F170 HydrophobicContact CD1-CD1 3.54Å; Y44-F170 HydrophobicContact CD1-CD2 4.14Å; Y44-F170 AromaticContact CD1-CE1 3.6Å; Y44-F170 HydrophobicContact CD1-CE1 3.6Å; Y44-F170 HydrophobicContact CD1-CE2 4.23Å; Y44-F170 AromaticContact CD1-CG 3.79Å; Y44-F170 HydrophobicContact CD1-CG 3.79Å; Y44-F170 AromaticContact CD1-CZ 3.93Å; Y44-F170 HydrophobicContact CD1-CZ 3.93Å; Y44-F170 HydrophobicContact CE1-CD1 4.24Å; Y44-F170 HydrophobicContact CE1-CE1 4.02Å; Y44-F170 HydrophobicContact CE1-CZ 4.49Å; Y44-F170 HydrophobicContact CG-CD1 4.47Å; Y44-F170 HydrophobicContact CG-CG 4.35Å; L166-F170 VanDerWaalsContact O-CB 3.29Å; L166-F170 WeakPolarHBondContact O-CB 3.24Å; L166-F170 PolarHBondContact O-N 3.4Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.95Å; F170-L173 WeakPolarHBondContact O-CB 3.29Å; F170-L173 PolarHBondContact O-N 3.44Å; F170-V174 HydrophobicContact CD1-CG2 4.1Å; F170-V174 HydrophobicContact CD2-CG2 4.33Å; F170-V174 HydrophobicContact CE1-CG2 3.74Å; F170-V174 HydrophobicContact CE2-CG2 3.94Å; F170-V174 HydrophobicContact CG-CG2 4.41Å; F170-V174 HydrophobicContact CZ-CG2 3.68Å; F170-V174 VanDerWaalsContact O-CG2 3.29Å; F170-V174 WeakPolarHBondContact O-CG2 3.46Å; F170-V174 PolarHBondContact O-N 2.96Å; F170-N193 HydrophobicContact CE2-CB 4.4Å; F170-N193 HydrophobicContact CZ-CB 4.16Å; F170-E202 HydrophobicContact CZ-CG 3.81Å
171S91.7Very high90.4Very high55 Ų5552.6 Ų52.639%0.38525%0.245SC..Hα-helixtrans-56.7-42.9174.8-167.90000111.9K167 K168 L173 V174 D175K167-S171 PolarHBondContact O-N 3.22Å; K168-S171 PolarHBondContact O-N 2.98Å; S171-L173 VanDerWaalsContact C-N 3.34Å; S171-L173 PolarHBondContact O-N 3Å; S171-V174 PolarHBondContact O-N 2.98Å; S171-D175 VanDerWaalsContact O-CG 3.23Å; S171-D175 PolarHBondContact O-N 3.31Å
172K89Confident90.6Very high72 Ų7247 Ų4731%0.31322%0.219SC..Hα-helixtrans-62.8-38.8175.4-68.5172.9-177.6172.30112.6K168 E169 F170 D175 L176K168-K172 WeakPolarHBondContact O-CG 3.45Å; K168-K172 PolarHBondContact O-N 2.77Å; K168-K172 VanDerWaalsContact O-N 3.1Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-K172 IonicContact OE1-NZ 3.1Å; E169-K172 PolarHBondContact OE1-NZ 2.97Å; E169-K172 IonicContact OE2-NZ 2.71Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.95Å; K172-D175 PolarHBondContact O-N 3.08Å; K172-L176 VanDerWaalsContact O-CB 3.3Å; K172-L176 WeakPolarHBondContact O-CB 3.49Å; K172-L176 PolarHBondContact O-N 3.5Å
173L91.7Very high90.7Very high0 Ų046.8 Ų46.80%022%0.217CC..Hα-helixtrans-65.6-42176.1179.3149.6000111.2L18 C22 V41 L49 E169 F170 S171 L176 T177 L191L18-L173 HydrophobicContact CD2-CD1 3.74Å; L18-L173 HydrophobicContact CG-CD1 3.69Å; C22-L173 HydrophobicContact CB-CD1 3.77Å; C22-L173 HydrophobicContact CB-CG 4.13Å; V41-L173 HydrophobicContact CG1-CD1 4.25Å; V41-L173 HydrophobicContact CG1-CD2 4.36Å; L49-L173 HydrophobicContact CD1-CD1 4.04Å; E169-L173 PolarHBondContact O-N 3.4Å; F170-L173 WeakPolarHBondContact O-CB 3.29Å; F170-L173 PolarHBondContact O-N 3.44Å; S171-L173 VanDerWaalsContact C-N 3.34Å; S171-L173 PolarHBondContact O-N 3Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-T177 HydrophobicContact CD2-CG2 4.13Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 WeakPolarHBondContact O-CG2 3Å; L173-T177 PolarHBondContact O-N 3.42Å; L173-T177 PolarHBondContact O-OG1 2.91Å; L173-L191 HydrophobicContact CD2-CD1 3.75Å; L173-L191 HydrophobicContact CD2-CD2 3.87Å
174V93.4Very high90.5Very high8 Ų844.6 Ų44.65%0.04821%0.208CC..Hα-helixtrans-61.6-44.6174.9177.20000110.6F170 S171 T177 R178 L191F170-V174 HydrophobicContact CD1-CG2 4.1Å; F170-V174 HydrophobicContact CD2-CG2 4.33Å; F170-V174 HydrophobicContact CE1-CG2 3.74Å; F170-V174 HydrophobicContact CE2-CG2 3.94Å; F170-V174 HydrophobicContact CG-CG2 4.41Å; F170-V174 HydrophobicContact CZ-CG2 3.68Å; F170-V174 VanDerWaalsContact O-CG2 3.29Å; F170-V174 WeakPolarHBondContact O-CG2 3.46Å; F170-V174 PolarHBondContact O-N 2.96Å; S171-V174 PolarHBondContact O-N 2.98Å; V174-T177 WeakPolarHBondContact CA-OG1 3.39Å; V174-T177 PolarHBondContact O-N 3.2Å; V174-T177 PolarHBondContact O-OG1 3.39Å; V174-R178 WeakPolarHBondContact O-CB 3.41Å; V174-R178 VanDerWaalsContact O-CG 3.26Å; V174-R178 WeakPolarHBondContact O-CG 3.41Å; V174-R178 PolarHBondContact O-N 3.26Å; V174-L191 HydrophobicContact CB-CD2 4.16Å; V174-L191 HydrophobicContact CG1-CD2 4.37Å; V174-L191 HydrophobicContact CG2-CD2 3.61Å
175D90.2Very high90.2Very high38 Ų3837.2 Ų37.220%0.20318%0.181CC..Hα-helixtrans-67.4-38.5179.1-65.2-22.9000111.6S171 K172 R178 S179 F274S171-D175 VanDerWaalsContact O-CG 3.23Å; S171-D175 PolarHBondContact O-N 3.31Å; K172-D175 PolarHBondContact O-N 3.08Å; D175-R178 IonicContact OD1-NH1 3.87Å; D175-S179 WeakPolarHBondContact O-CB 3.1Å; D175-S179 PolarHBondContact O-N 2.96Å; D175-S179 PolarHBondContact O-OG 3.27Å; D175-F274 WeakPolarHBondContact O-CE1 2.95Å
176L90.5Very high90.3Very high15 Ų1538.3 Ų38.38%0.07919%0.187CC..Hα-helixtrans-62.7-51.2174.5179.278.3000112S19 C22 K23 K172 L173 R178 S179 Y180S19-L176 WeakPolarHBondContact O-CD2 3.44Å; C22-L176 HydrophobicContact CB-CD2 4.39Å; K23-L176 HydrophobicContact CB-CD1 4.41Å; K23-L176 HydrophobicContact CB-CD2 3.68Å; K23-L176 HydrophobicContact CG-CD1 4.25Å; K23-L176 HydrophobicContact CG-CD2 4.37Å; K172-L176 VanDerWaalsContact O-CB 3.3Å; K172-L176 WeakPolarHBondContact O-CB 3.49Å; K172-L176 PolarHBondContact O-N 3.5Å; L173-L176 PolarHBondContact O-N 3.01Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 2.8Å; L176-S179 WeakPolarHBondContact O-CA 3.3Å; L176-S179 WeakPolarHBondContact O-CB 3.49Å; L176-S179 PolarHBondContact O-N 3.34Å; L176-Y180 HydrophobicContact CD1-CD2 4.49Å; L176-Y180 HydrophobicContact CD1-CE2 3.89Å; L176-Y180 HydrophobicContact CG-CD2 4.39Å; L176-Y180 HydrophobicContact CG-CE2 4.14Å; L176-Y180 WeakPolarHBondContact O-CD2 3.28Å; L176-Y180 PolarHBondContact O-N 2.85Å
177T93Very high90.3Very high0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-60.6-41.8179.746.10000111.2L26 V39 L173 V174 S179 Y180 A181 L189 F203L26-T177 HydrophobicContact CD1-CG2 3.91Å; V39-T177 HydrophobicContact CG2-CG2 4.22Å; L173-T177 HydrophobicContact CD2-CG2 4.13Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 WeakPolarHBondContact O-CG2 3Å; L173-T177 PolarHBondContact O-N 3.42Å; L173-T177 PolarHBondContact O-OG1 2.91Å; V174-T177 WeakPolarHBondContact CA-OG1 3.39Å; V174-T177 PolarHBondContact O-N 3.2Å; V174-T177 PolarHBondContact O-OG1 3.39Å; T177-S179 VanDerWaalsContact C-N 3.33Å; T177-S179 PolarHBondContact O-N 3.07Å; T177-Y180 PolarHBondContact O-N 2.84Å; T177-A181 PolarHBondContact O-N 3.05Å; T177-A181 VanDerWaalsContact O-N 3.08Å; T177-L189 WeakPolarHBondContact O-CD2 3.19Å; T177-F203 WeakPolarHBondContact OG1-CE1 3.33Å
178R92.5Very high90.5Very high49 Ų4930.2 Ų30.219%0.18516%0.155CC..Hα-helixtrans-62.3-37.7171.4-72.9177.3179.1142.95.1112.8V174 D175 L176 Y180 A181 L182 F203 V218 F274V174-R178 WeakPolarHBondContact O-CB 3.41Å; V174-R178 VanDerWaalsContact O-CG 3.26Å; V174-R178 WeakPolarHBondContact O-CG 3.41Å; V174-R178 PolarHBondContact O-N 3.26Å; D175-R178 IonicContact OD1-NH1 3.87Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 2.8Å; R178-Y180 VanDerWaalsContact C-N 3.28Å; R178-Y180 PolarHBondContact O-N 2.91Å; R178-A181 WeakPolarHBondContact O-CB 3.21Å; R178-A181 PolarHBondContact O-N 3.37Å; R178-A181 VanDerWaalsContact O-N 3.14Å; R178-L182 VanDerWaalsContact O-CG 3.26Å; R178-L182 WeakPolarHBondContact O-CG 3.35Å; R178-L182 PolarHBondContact O-N 3.42Å; R178-F203 HydrophobicContact CG-CD1 3.94Å; R178-F203 HydrophobicContact CG-CE1 3.92Å; R178-F203 HydrophobicContact CG-CG 4.34Å; R178-F203 HydrophobicContact CG-CZ 4.32Å; R178-V218 HydrophobicContact CB-CG1 4.13Å; R178-V218 HydrophobicContact CG-CG1 3.82Å; R178-F274 HydrophobicContact CB-CE1 4.41Å; R178-F274 HydrophobicContact CB-CZ 4.39Å
179S90.7Very high90.8Very high14 Ų1423.8 Ų23.810%0.09813%0.127CC..Hα-helixtrans-57.8-43.5176.9-56.30000111.2D175 L176 T177 L182 F274 F276D175-S179 WeakPolarHBondContact O-CB 3.1Å; D175-S179 PolarHBondContact O-N 2.96Å; D175-S179 PolarHBondContact O-OG 3.27Å; L176-S179 WeakPolarHBondContact O-CA 3.3Å; L176-S179 WeakPolarHBondContact O-CB 3.49Å; L176-S179 PolarHBondContact O-N 3.34Å; T177-S179 VanDerWaalsContact C-N 3.33Å; T177-S179 PolarHBondContact O-N 3.07Å; S179-L182 PolarHBondContact O-N 2.89Å; S179-F274 WeakPolarHBondContact OG-CD1 3.46Å; S179-F274 WeakPolarHBondContact OG-CE1 3.41Å; S179-F276 WeakPolarHBondContact O-CE1 3.42Å; S179-F276 WeakPolarHBondContact O-CZ 3.39Å
180Y90.7Very high91.2Very high2 Ų223.1 Ų23.11%0.00813%0.125CC..Hα-helixtrans-66.6-44.6174.1-74.9-83.7000111.4K23 L26 E27 L30 F87 L176 T177 R178 L182 L183 H185 P281K23-Y180 VanDerWaalsContact CE-OH 3.29Å; K23-Y180 WeakPolarHBondContact CE-OH 3.45Å; K23-Y180 HydrophobicContact CG-CE2 4.12Å; K23-Y180 VanDerWaalsContact CG-OH 3.28Å; K23-Y180 WeakPolarHBondContact CG-OH 3.5Å; L26-Y180 HydrophobicContact CD1-CD2 4.03Å; E27-Y180 HydrophobicContact CG-CE1 4.1Å; E27-Y180 PolarHBondContact OE1-OH 2.76Å; L30-Y180 HydrophobicContact CD1-CD1 3.86Å; L30-Y180 HydrophobicContact CD1-CE1 4.29Å; F87-Y180 HydrophobicContact CD1-CE1 4.38Å; F87-Y180 HydrophobicContact CE1-CE1 4.15Å; L176-Y180 HydrophobicContact CD1-CD2 4.49Å; L176-Y180 HydrophobicContact CD1-CE2 3.89Å; L176-Y180 HydrophobicContact CG-CD2 4.39Å; L176-Y180 HydrophobicContact CG-CE2 4.14Å; L176-Y180 WeakPolarHBondContact O-CD2 3.28Å; L176-Y180 PolarHBondContact O-N 2.85Å; T177-Y180 PolarHBondContact O-N 2.84Å; R178-Y180 VanDerWaalsContact C-N 3.28Å; R178-Y180 PolarHBondContact O-N 2.91Å; Y180-L182 PolarHBondContact O-N 3.19Å; Y180-L183 HydrophobicContact CD1-CD1 4.09Å; Y180-L183 WeakPolarHBondContact O-CB 3.22Å; Y180-L183 PolarHBondContact O-N 2.85Å; Y180-H185 PolarHBondContact O-NE2 3.02Å; Y180-P281 HydrophobicContact CD2-CG 4.34Å; Y180-P281 HydrophobicContact CE1-CG 4.28Å; Y180-P281 HydrophobicContact CE2-CG 4.06Å
181A92.6Very high91.4Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-56.2-26.7177.200000114.2T177 R178 L189 F203 A205 C207 N214 V218T177-A181 PolarHBondContact O-N 3.05Å; T177-A181 VanDerWaalsContact O-N 3.08Å; R178-A181 WeakPolarHBondContact O-CB 3.21Å; R178-A181 PolarHBondContact O-N 3.37Å; R178-A181 VanDerWaalsContact O-N 3.14Å; A181-L189 HydrophobicContact CB-CD2 3.98Å; A181-F203 HydrophobicContact CB-CE2 3.84Å; A181-F203 HydrophobicContact CB-CZ 4.4Å; A181-A205 HydrophobicContact CB-CB 4.25Å; A181-C207 PolarHBondContact O-SG 3.43Å; A181-N214 WeakPolarHBondContact O-CB 3.41Å; A181-V218 HydrophobicContact CB-CG2 3.55Å
182L90.1Very high91.6Very high0 Ų020.1 Ų20.10%011%0.106CC..THydrogen-bonded Turntrans-80.1-14179.9-74.3172.4000114.1R178 S179 Y180 V215 V218 F219 F274 F276 Q300R178-L182 VanDerWaalsContact O-CG 3.26Å; R178-L182 WeakPolarHBondContact O-CG 3.35Å; R178-L182 PolarHBondContact O-N 3.42Å; S179-L182 PolarHBondContact O-N 2.89Å; Y180-L182 PolarHBondContact O-N 3.19Å; L182-V215 HydrophobicContact CD2-CB 4.33Å; L182-V215 HydrophobicContact CD2-CG2 3.85Å; L182-V218 HydrophobicContact CD2-CB 4.31Å; L182-V218 HydrophobicContact CD2-CG2 4.31Å; L182-F219 HydrophobicContact CD1-CE2 4.01Å; L182-F219 HydrophobicContact CD2-CD2 4.39Å; L182-F219 HydrophobicContact CD2-CE2 3.93Å; L182-F219 HydrophobicContact CG-CE2 4.39Å; L182-F274 HydrophobicContact CD1-CB 4Å; L182-F274 HydrophobicContact CD1-CD1 3.92Å; L182-F274 HydrophobicContact CD1-CD2 3.58Å; L182-F274 HydrophobicContact CD1-CE1 4.3Å; L182-F274 HydrophobicContact CD1-CE2 4Å; L182-F274 HydrophobicContact CD1-CG 3.54Å; L182-F274 HydrophobicContact CD1-CZ 4.34Å; L182-F276 HydrophobicContact CB-CZ 3.95Å; L182-F276 HydrophobicContact CD1-CZ 4.36Å; L182-Q300 PolarHBondContact O-NE2 2.82Å
183L86.8Confident92Very high7 Ų716.8 Ų16.84%0.0379%0.091CC..SBendtrans-74.9147.3178.3-70170.8000110.7Y180 H185 N214 F276 N279Y180-L183 HydrophobicContact CD1-CD1 4.09Å; Y180-L183 WeakPolarHBondContact O-CB 3.22Å; Y180-L183 PolarHBondContact O-N 2.85Å; L183-H185 PolarHBondContact O-N 3.24Å; L183-N214 PolarHBondContact O-ND2 3.4Å; L183-F276 HydrophobicContact CD2-CB 4.47Å; L183-F276 HydrophobicContact CD2-CD1 3.43Å; L183-F276 VanDerWaalsContact CD2-CD1 3.43Å; L183-F276 HydrophobicContact CD2-CE1 3.73Å; L183-F276 HydrophobicContact CD2-CG 3.98Å; L183-F276 HydrophobicContact CG-CD1 4.07Å; L183-F276 HydrophobicContact CG-CE1 3.89Å; L183-N279 WeakPolarHBondContact CD1-O 3.4Å; L183-N279 HydrophobicContact CD2-CB 4.09Å
184P84.2Confident92.2Very high34 Ų3417.7 Ų17.722%0.22110%0.097CC..SBendtrans-73.4102.217729.5-31.6000109.7C208 N209 V211P184-C208 WeakPolarHBondContact CA-O 3.34Å; P184-N209 WeakPolarHBondContact CB-O 3.46Å; P184-V211 HydrophobicContact CB-CG2 4.31Å; P184-V211 HydrophobicContact CG-CG2 4.21Å
185H84.1Confident92.1Very high29 Ų2921.7 Ų21.713%0.13411%0.113CC..  trans-156.2149.717658.353.7000109.5Y180 L183 V187 C207 C208Y180-H185 PolarHBondContact O-NE2 3.02Å; L183-H185 PolarHBondContact O-N 3.24Å; H185-V187 VanDerWaalsContact C-N 3.31Å; H185-V187 HydrophobicContact CB-CG2 4.3Å; H185-V187 WeakPolarHBondContact ND1-CB 3.38Å; H185-V187 PolarHBondContact O-N 3.16Å; H185-C207 VanDerWaalsContact CE1-CB 3.46Å; H185-C207 WeakPolarHBondContact CE1-CB 3.34Å; H185-C207 CarbonylContact O-C 3.52Å; H185-C207 WeakPolarHBondContact O-CB 3.29Å; H185-C207 VanDerWaalsContact O-O 3.07Å; H185-C208 PolarHBondContact N-O 3.41Å; H185-C208 CarbonylContact O-C 3.26Å; H185-C208 WeakPolarHBondContact O-CA 3.45Å; H185-C208 PolarHBondContact O-N 3.2Å
186D90Very high92.1Very high97 Ų9727 Ų2752%0.51914%0.142SC..SBendtrans-87.967.5-179.9-62.4-35.5000110.9C208 N209D186-C208 WeakPolarHBondContact OD1-CA 3.41Å; D186-N209 VanDerWaalsContact CG-ND2 3.31Å; D186-N209 PolarHBondContact OD1-N 3.42Å; D186-N209 PolarHBondContact OD1-ND2 3.04Å; D186-N209 VanDerWaalsContact OD1-ND2 3.13Å; D186-N209 PolarHBondContact OD2-ND2 3.14Å
187V92.3Very high92Very high9 Ų929.6 Ų29.66%0.05517%0.172CC..  trans-134.1125.7-176.8-173.70000111L30 A34 T35 I37 H185 L189 C207L30-V187 HydrophobicContact CD2-CG2 4Å; A34-V187 VanDerWaalsContact O-CG2 3.32Å; A34-V187 WeakPolarHBondContact O-CG2 3.14Å; T35-V187 CarbonylContact O-C 3.56Å; T35-V187 WeakPolarHBondContact O-CA 3.33Å; I37-V187 HydrophobicContact CB-CG1 4.48Å; I37-V187 HydrophobicContact CD1-CG1 3.8Å; I37-V187 HydrophobicContact CG1-CG1 3.87Å; H185-V187 VanDerWaalsContact C-N 3.31Å; H185-V187 HydrophobicContact CB-CG2 4.3Å; H185-V187 WeakPolarHBondContact ND1-CB 3.38Å; H185-V187 PolarHBondContact O-N 3.16Å; V187-L189 PolarHBondContact O-N 2.83Å; V187-C207 PolarHBondContact N-O 2.9Å; V187-C207 WeakPolarHBondContact O-CB 3.45Å; V187-C207 PolarHBondContact O-N 3.48Å; V187-C207 VanDerWaalsContact O-N 3.11Å; V187-C207 PolarHBondContact O-SG 3.23Å
188S95.5Very high92Very high27 Ų2736.7 Ų36.719%0.18920%0.203CC..EExtended strand (participates in β ladder)trans-73.9113.7166.2162.10000109.4T35 N36 I37 A205T35-S188 PolarHBondContact O-N 3.34Å; N36-S188 CarbonylContact C-O 3.53Å; N36-S188 WeakPolarHBondContact CA-O 3.49Å; N36-S188 PolarHBondContact OD1-O 3.47Å; N36-S188 PolarHBondContact OD1-OG 3.12Å; I37-S188 PolarHBondContact N-O 3.38Å; S188-A205 CarbonylContact C-O 3.6Å; S188-A205 WeakPolarHBondContact CA-O 3.3Å
189L96.1Very high92.1Very high4 Ų442.5 Ų42.52%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-115.8130.4178.9-176.559000110.5L26 I37 V39 T177 A181 V187 F203 A205L26-L189 HydrophobicContact CD2-CD1 3.88Å; I37-L189 HydrophobicContact CB-CD1 3.79Å; I37-L189 HydrophobicContact CG2-CD1 3.79Å; I37-L189 WeakPolarHBondContact O-CA 3.34Å; V39-L189 HydrophobicContact CG2-CD1 4.42Å; T177-L189 WeakPolarHBondContact O-CD2 3.19Å; A181-L189 HydrophobicContact CB-CD2 3.98Å; V187-L189 PolarHBondContact O-N 2.83Å; L189-F203 HydrophobicContact CD2-CZ 4.32Å; L189-F203 HydrophobicContact CG-CE2 4.18Å; L189-F203 HydrophobicContact CG-CZ 4.14Å; L189-A205 PolarHBondContact N-O 2.71Å; L189-A205 PolarHBondContact O-N 3.25Å
190S96.5Very high92.3Very high7 Ų744.2 Ų44.25%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-136.7149.4176.863.90000112.7I37 V39 F203I37-S190 PolarHBondContact O-N 3.48Å; V39-S190 PolarHBondContact N-O 3.46Å; S190-F203 WeakPolarHBondContact CA-O 3.41Å
191L97.2Very high92.4Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-123.4122.5174.2176.564.4000109.5V39 V41 L173 V174 E202 F203V39-L191 HydrophobicContact CB-CD1 3.75Å; V39-L191 HydrophobicContact CG1-CD1 3.52Å; V39-L191 CarbonylContact O-C 3.52Å; V39-L191 VanDerWaalsContact O-CA 3.3Å; V39-L191 WeakPolarHBondContact O-CA 3.38Å; V41-L191 HydrophobicContact CG1-CD1 4.48Å; L173-L191 HydrophobicContact CD2-CD1 3.75Å; L173-L191 HydrophobicContact CD2-CD2 3.87Å; V174-L191 HydrophobicContact CB-CD2 4.16Å; V174-L191 HydrophobicContact CG1-CD2 4.37Å; V174-L191 HydrophobicContact CG2-CD2 3.61Å; L191-E202 HydrophobicContact CB-CB 4.25Å; L191-E202 HydrophobicContact CD2-CB 3.99Å; L191-E202 HydrophobicContact CD2-CG 4.27Å; L191-E202 HydrophobicContact CG-CB 4Å; L191-E202 HydrophobicContact CG-CG 4.21Å; L191-E202 PolarHBondContact O-N 3.13Å; L191-F203 HydrophobicContact CB-CD1 3.69Å; L191-F203 HydrophobicContact CB-CE1 3.42Å; L191-F203 VanDerWaalsContact CB-CE1 3.42Å; L191-F203 HydrophobicContact CB-CZ 4.23Å; L191-F203 HydrophobicContact CD2-CD1 4.36Å; L191-F203 HydrophobicContact CD2-CE1 4.09Å; L191-F203 HydrophobicContact CG-CE1 4.41Å; L191-F203 PolarHBondContact N-O 3.27Å
192V97Very high92.5Very high11 Ų1153.1 Ų53.17%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-119.9129.7178.1-174.70000109.5V39 L40 V41 V194 R199 K201V39-V192 PolarHBondContact O-N 3.36Å; L40-V192 CarbonylContact C-O 3.59Å; L40-V192 WeakPolarHBondContact CA-O 3.37Å; V41-V192 PolarHBondContact N-O 3.18Å; V192-V194 HydrophobicContact CG1-CG2 4.35Å; V192-R199 HydrophobicContact CG1-CB 4.14Å; V192-K201 HydrophobicContact CG2-CG 4.34Å
193N96.5Very high92.6Very high1 Ų153.8 Ų53.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-104.4133.1169.8176.940.8000109.4V41 Y44 F170 T200 E202V41-N193 HydrophobicContact CG2-CB 3.86Å; V41-N193 CarbonylContact O-C 3.49Å; V41-N193 WeakPolarHBondContact O-CA 3.44Å; V41-N193 PolarHBondContact O-OD1 3.19Å; Y44-N193 VanDerWaalsContact CD1-ND2 3.34Å; Y44-N193 WeakPolarHBondContact CD1-ND2 3.16Å; Y44-N193 WeakPolarHBondContact CE1-ND2 3.29Å; Y44-N193 PolarHBondContact N-OD1 3.49Å; F170-N193 HydrophobicContact CE2-CB 4.4Å; F170-N193 HydrophobicContact CZ-CB 4.16Å; N193-T200 PolarHBondContact N-O 3.07Å; N193-T200 PolarHBondContact O-N 3.06Å; N193-T200 PolarHBondContact O-OG1 2.81Å; N193-T200 VanDerWaalsContact O-OG1 3.12Å; N193-E202 HydrophobicContact CB-CG 4.23Å
194V95.6Very high92.9Very high19 Ų1955.5 Ų55.512%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-114.6121.5177.8-171.50000108.3L40 V41 E42 D43 V192 K198 R199L40-V194 HydrophobicContact CD1-CG2 4.03Å; L40-V194 HydrophobicContact CD2-CG2 4.34Å; L40-V194 HydrophobicContact CG-CG2 4.09Å; V41-V194 PolarHBondContact O-N 2.91Å; E42-V194 WeakPolarHBondContact CA-O 3.38Å; E42-V194 HydrophobicContact CG-CB 4.27Å; D43-V194 PolarHBondContact N-O 3.24Å; V192-V194 HydrophobicContact CG1-CG2 4.35Å; V194-K198 WeakPolarHBondContact CA-O 3.49Å; V194-R199 HydrophobicContact CG1-CG 4.35Å; V194-R199 HydrophobicContact CG2-CG 4Å
195K92.6Very high93.3Very high92 Ų9253.9 Ų53.940%0.428%0.28SS..EExtended strand (participates in β ladder)trans-135.3126.2177.7178.5175.1-170.2-172.20109.9D43 Y44 G197 K198D43-K195 WeakPolarHBondContact OD1-CA 3.33Å; D43-K195 WeakPolarHBondContact OD1-CG 3.29Å; Y44-K195 HydrophobicContact CE2-CD 3.88Å; K195-G197 PolarHBondContact O-N 3.36Å; K195-K198 PolarHBondContact N-O 2.88Å; K195-K198 WeakPolarHBondContact O-CB 3.42Å; K195-K198 PolarHBondContact O-N 2.82Å
196N89.9Confident93.7Very high149 Ų14957.5 Ų57.580%0.79730%0.3SS*.THydrogen-bonded Turntrans49.541.7-177.7-60.7-16.9000112.6K198N196-K198 PolarHBondContact O-N 3.11Å; N196-K198 VanDerWaalsContact O-N 3.11Å
197G88.2Confident93.7Very high70 Ų7053.3 Ų53.372%0.72228%0.278SS*.THydrogen-bonded Turntrans74.2-11.1-176.200000115.7K195K195-G197 PolarHBondContact O-N 3.36Å
198K93.2Very high93.5Very high150 Ų15054.1 Ų54.165%0.65228%0.284SS*.EExtended strand (participates in β ladder)trans-81.8119.6175.4-174.5176.4179.2176.50110.1V194 K195 N196 T200V194-K198 WeakPolarHBondContact CA-O 3.49Å; K195-K198 PolarHBondContact N-O 2.88Å; K195-K198 WeakPolarHBondContact O-CB 3.42Å; K195-K198 PolarHBondContact O-N 2.82Å; N196-K198 PolarHBondContact O-N 3.11Å; N196-K198 VanDerWaalsContact O-N 3.11Å; K198-T200 HydrophobicContact CG-CG2 4.45Å
199R94.8Very high93Very high171 Ų17158.1 Ų58.165%0.64530%0.303SS*.EExtended strand (participates in β ladder)trans-85.3123.2172.6-59.6-169.8168.8-154.4-3.7110.2V192 V194V192-R199 HydrophobicContact CG1-CB 4.14Å; V194-R199 HydrophobicContact CG1-CG 4.35Å; V194-R199 HydrophobicContact CG2-CG 4Å
200T94.8Very high92.6Very high49 Ų4959.6 Ų59.630%0.30131%0.314SS..EExtended strand (participates in β ladder)trans-116117.6172.752.60000109.1N193 K198 E202N193-T200 PolarHBondContact N-O 3.07Å; N193-T200 PolarHBondContact O-N 3.06Å; N193-T200 PolarHBondContact O-OG1 2.81Å; N193-T200 VanDerWaalsContact O-OG1 3.12Å; K198-T200 HydrophobicContact CG-CG2 4.45Å; T200-E202 PolarHBondContact O-N 2.98Å
201K93.7Very high92.1Very high129 Ų12961 Ų6156%0.56132%0.322SS*.EExtended strand (participates in β ladder)trans-79.6112.6175.5-160.5174.9-154.1-175.30108.8V192 S204V192-K201 HydrophobicContact CG2-CG 4.34Å; K201-S204 VanDerWaalsContact CE-OG 3.32Å; K201-S204 WeakPolarHBondContact CE-OG 3.43Å; K201-S204 PolarHBondContact NZ-OG 2.8Å
202E93.1Very high91.6Very high61 Ų6166 Ų6629%0.28534%0.344SS..EExtended strand (participates in β ladder)trans-77.3-38.8-178.4-64.6-65.4155.200111.6F170 L191 N193 T200F170-E202 HydrophobicContact CZ-CG 3.81Å; L191-E202 HydrophobicContact CB-CB 4.25Å; L191-E202 HydrophobicContact CD2-CB 3.99Å; L191-E202 HydrophobicContact CD2-CG 4.27Å; L191-E202 HydrophobicContact CG-CB 4Å; L191-E202 HydrophobicContact CG-CG 4.21Å; L191-E202 PolarHBondContact O-N 3.13Å; N193-E202 HydrophobicContact CB-CG 4.23Å; T200-E202 PolarHBondContact O-N 2.98Å
203F92.8Very high91.2Very high13 Ų1370.7 Ų70.76%0.05737%0.365CS..EExtended strand (participates in β ladder)trans-160.8164.7164.175.8-83.9000111T177 R178 A181 L189 S190 L191 A205T177-F203 WeakPolarHBondContact OG1-CE1 3.33Å; R178-F203 HydrophobicContact CG-CD1 3.94Å; R178-F203 HydrophobicContact CG-CE1 3.92Å; R178-F203 HydrophobicContact CG-CG 4.34Å; R178-F203 HydrophobicContact CG-CZ 4.32Å; A181-F203 HydrophobicContact CB-CE2 3.84Å; A181-F203 HydrophobicContact CB-CZ 4.4Å; L189-F203 HydrophobicContact CD2-CZ 4.32Å; L189-F203 HydrophobicContact CG-CE2 4.18Å; L189-F203 HydrophobicContact CG-CZ 4.14Å; S190-F203 WeakPolarHBondContact CA-O 3.41Å; L191-F203 HydrophobicContact CB-CD1 3.69Å; L191-F203 HydrophobicContact CB-CE1 3.42Å; L191-F203 VanDerWaalsContact CB-CE1 3.42Å; L191-F203 HydrophobicContact CB-CZ 4.23Å; L191-F203 HydrophobicContact CD2-CD1 4.36Å; L191-F203 HydrophobicContact CD2-CE1 4.09Å; L191-F203 HydrophobicContact CG-CE1 4.41Å; L191-F203 PolarHBondContact N-O 3.27Å; F203-A205 HydrophobicContact CD2-CB 4.37Å
204S93.4Very high90.9Very high43 Ų4370.6 Ų70.630%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-144128.7169.7-1580000106.8K201K201-S204 VanDerWaalsContact CE-OG 3.32Å; K201-S204 WeakPolarHBondContact CE-OG 3.43Å; K201-S204 PolarHBondContact NZ-OG 2.8Å
205A92.7Very high90.6Very high0 Ų069.7 Ų69.70%036%0.359CS..EExtended strand (participates in β ladder)trans-134.4123.6177.200000109.5A181 S188 L189 F203 C207 E217 V218A181-A205 HydrophobicContact CB-CB 4.25Å; S188-A205 CarbonylContact C-O 3.6Å; S188-A205 WeakPolarHBondContact CA-O 3.3Å; L189-A205 PolarHBondContact N-O 2.71Å; L189-A205 PolarHBondContact O-N 3.25Å; F203-A205 HydrophobicContact CD2-CB 4.37Å; A205-C207 VanDerWaalsContact C-N 3.32Å; A205-C207 PolarHBondContact O-N 2.85Å; A205-E217 HydrophobicContact CB-CB 3.99Å; A205-V218 HydrophobicContact CB-CG2 3.65Å
206N92.9Very high90.4Very high105 Ų10570.8 Ų70.856%0.56136%0.361SS*.EExtended strand (participates in β ladder)trans-83.885.2166.3-70.4-29.2000107.3
207C88.5Confident90.3Very high9 Ų967.7 Ų67.76%0.06134%0.342CS..  trans-71.7145.6-174.5-41.60000109.7A181 H185 V187 A205 N214A181-C207 PolarHBondContact O-SG 3.43Å; H185-C207 VanDerWaalsContact CE1-CB 3.46Å; H185-C207 WeakPolarHBondContact CE1-CB 3.34Å; H185-C207 CarbonylContact O-C 3.52Å; H185-C207 WeakPolarHBondContact O-CB 3.29Å; H185-C207 VanDerWaalsContact O-O 3.07Å; V187-C207 PolarHBondContact N-O 2.9Å; V187-C207 WeakPolarHBondContact O-CB 3.45Å; V187-C207 PolarHBondContact O-N 3.48Å; V187-C207 VanDerWaalsContact O-N 3.11Å; V187-C207 PolarHBondContact O-SG 3.23Å; A205-C207 VanDerWaalsContact C-N 3.32Å; A205-C207 PolarHBondContact O-N 2.85Å; C207-N214 WeakPolarHBondContact CA-OD1 3.15Å
208C88.1Confident90.5Very high26 Ų2665 Ų6518%0.17631%0.311CS..  trans-131.8179.3179.2670000110.4P184 H185 D186 S210 E213 N214P184-C208 WeakPolarHBondContact CA-O 3.34Å; H185-C208 PolarHBondContact N-O 3.41Å; H185-C208 CarbonylContact O-C 3.26Å; H185-C208 WeakPolarHBondContact O-CA 3.45Å; H185-C208 PolarHBondContact O-N 3.2Å; D186-C208 WeakPolarHBondContact OD1-CA 3.41Å; C208-S210 PolarHBondContact O-N 2.96Å; C208-S210 PolarHBondContact SG-N 3.39Å; C208-S210 VanDerWaalsContact SG-N 3.4Å; C208-E213 WeakPolarHBondContact SG-CB 3.38Å; C208-E213 PolarHBondContact SG-OE2 2.97Å; C208-N214 PolarHBondContact N-OD1 3.04Å; C208-N214 PolarHBondContact O-ND2 3.01Å; C208-N214 PolarHBondContact O-OD1 3.08Å; C208-N214 PolarHBondContact SG-OD1 2.92Å
209N85.5Confident90.2Very high111 Ų11159.3 Ų59.359%0.59429%0.287SS*.SBendtrans-67.83176.1-65.9-45000115.2P184 D186P184-N209 WeakPolarHBondContact CB-O 3.46Å; D186-N209 VanDerWaalsContact CG-ND2 3.31Å; D186-N209 PolarHBondContact OD1-N 3.42Å; D186-N209 PolarHBondContact OD1-ND2 3.04Å; D186-N209 VanDerWaalsContact OD1-ND2 3.13Å; D186-N209 PolarHBondContact OD2-ND2 3.14Å
210S87.5Confident89.9Confident36 Ų3652.4 Ų52.425%0.25227%0.268SS..  trans-111.5115.2178.9179.80000111.7C208 K212 E213 N214C208-S210 PolarHBondContact O-N 2.96Å; C208-S210 PolarHBondContact SG-N 3.39Å; C208-S210 VanDerWaalsContact SG-N 3.4Å; S210-K212 PolarHBondContact O-N 3.45Å; S210-E213 PolarHBondContact O-N 3.39Å; S210-E213 PolarHBondContact OG-OE1 3Å; S210-N214 VanDerWaalsContact O-CG 3.27Å; S210-N214 PolarHBondContact O-N 3.11Å; S210-N214 VanDerWaalsContact O-N 3.09Å; S210-N214 PolarHBondContact O-OD1 2.68Å
211V85.7Confident89.5Confident35 Ų3552.9 Ų52.921%0.21227%0.269CS..Hα-helixtrans-56.3-35.9175.8178.80000111.7P184 N214 V215 Y259 Q300P184-V211 HydrophobicContact CB-CG2 4.31Å; P184-V211 HydrophobicContact CG-CG2 4.21Å; V211-N214 PolarHBondContact O-N 3.04Å; V211-V215 HydrophobicContact CG1-CG2 4.42Å; V211-V215 WeakPolarHBondContact O-CG2 3.34Å; V211-V215 PolarHBondContact O-N 3.11Å; V211-Y259 HydrophobicContact CG1-CD2 4.42Å; V211-Y259 HydrophobicContact CG1-CE2 4.16Å; V211-Q300 VanDerWaalsContact CG1-CD 3.43Å
212K86.9Confident89Confident105 Ų10551.5 Ų51.546%0.45727%0.273SS..Hα-helixtrans-59.8-50.1-179.8-169.7-175.1172.4-175.20111.8S210 V215 W216 F224 Y259S210-K212 PolarHBondContact O-N 3.45Å; K212-V215 PolarHBondContact O-N 3.27Å; K212-W216 PolarHBondContact O-N 2.9Å; K212-F224 HydrophobicContact CD-CZ 3.91Å; K212-F224 HydrophobicContact CG-CE1 4.28Å; K212-F224 HydrophobicContact CG-CE2 3.53Å; K212-F224 HydrophobicContact CG-CZ 3.32Å; K212-Y259 HydrophobicContact CB-CE2 4.46Å; K212-Y259 VanDerWaalsContact CB-OH 3.26Å; K212-Y259 WeakPolarHBondContact CB-OH 3.48Å; K212-Y259 WeakPolarHBondContact CG-OH 3.3Å
213E88.8Confident88.6Confident110 Ų11049.5 Ų49.551%0.51426%0.263SS..Hα-helixtrans-69.3-37.8-178.8-74.6161.8-134.900110.4C208 S210 V215 W216 E217C208-E213 WeakPolarHBondContact SG-CB 3.38Å; C208-E213 PolarHBondContact SG-OE2 2.97Å; S210-E213 PolarHBondContact O-N 3.39Å; S210-E213 PolarHBondContact OG-OE1 3Å; E213-V215 VanDerWaalsContact C-N 3.31Å; E213-V215 PolarHBondContact O-N 2.95Å; E213-W216 WeakPolarHBondContact O-CA 3.48Å; E213-W216 WeakPolarHBondContact O-CB 3.36Å; E213-W216 PolarHBondContact O-N 2.97Å; E213-W216 VanDerWaalsContact O-N 3.1Å; E213-E217 WeakPolarHBondContact O-CG 3.22Å; E213-E217 PolarHBondContact O-N 3.21Å
214N91Very high88.3Confident0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-63.1-37.7176.2-62.7-4.9000111.9A181 L183 C207 C208 S210 V211 W216 E217 V218A181-N214 WeakPolarHBondContact O-CB 3.41Å; L183-N214 PolarHBondContact O-ND2 3.4Å; C207-N214 WeakPolarHBondContact CA-OD1 3.15Å; C208-N214 PolarHBondContact N-OD1 3.04Å; C208-N214 PolarHBondContact O-ND2 3.01Å; C208-N214 PolarHBondContact O-OD1 3.08Å; C208-N214 PolarHBondContact SG-OD1 2.92Å; S210-N214 VanDerWaalsContact O-CG 3.27Å; S210-N214 PolarHBondContact O-N 3.11Å; S210-N214 VanDerWaalsContact O-N 3.09Å; S210-N214 PolarHBondContact O-OD1 2.68Å; V211-N214 PolarHBondContact O-N 3.04Å; N214-W216 VanDerWaalsContact C-N 3.34Å; N214-E217 PolarHBondContact O-N 2.89Å; N214-V218 WeakPolarHBondContact O-CB 3.49Å; N214-V218 WeakPolarHBondContact O-CG2 3.35Å; N214-V218 PolarHBondContact O-N 3.27Å
215V88.6Confident87.8Confident0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-63.1-42.7174-179.70000111.2L182 V211 K212 E213 F219 F224 L227 Y259L182-V215 HydrophobicContact CD2-CB 4.33Å; L182-V215 HydrophobicContact CD2-CG2 3.85Å; V211-V215 HydrophobicContact CG1-CG2 4.42Å; V211-V215 WeakPolarHBondContact O-CG2 3.34Å; V211-V215 PolarHBondContact O-N 3.11Å; K212-V215 PolarHBondContact O-N 3.27Å; E213-V215 VanDerWaalsContact C-N 3.31Å; E213-V215 PolarHBondContact O-N 2.95Å; V215-F219 HydrophobicContact CG1-CD2 4.22Å; V215-F219 PolarHBondContact O-N 2.71Å; V215-F224 HydrophobicContact CB-CD2 4.17Å; V215-F224 HydrophobicContact CG1-CD2 3.98Å; V215-L227 HydrophobicContact CG1-CD1 3.55Å; V215-Y259 HydrophobicContact CG2-CD2 4.43Å
216W87.6Confident87.4Confident115 Ų11556 Ų5644%0.43629%0.29SS..Hα-helixtrans-60.7-47.9176-179.9-57.9000111.1K212 E213 N214 G220 L221 F224K212-W216 PolarHBondContact O-N 2.9Å; E213-W216 WeakPolarHBondContact O-CA 3.48Å; E213-W216 WeakPolarHBondContact O-CB 3.36Å; E213-W216 PolarHBondContact O-N 2.97Å; E213-W216 VanDerWaalsContact O-N 3.1Å; N214-W216 VanDerWaalsContact C-N 3.34Å; W216-G220 CarbonylContact O-C 3.55Å; W216-G220 WeakPolarHBondContact O-CA 3.39Å; W216-G220 PolarHBondContact O-N 3.45Å; W216-L221 HydrophobicContact CD2-CB 4.29Å; W216-L221 HydrophobicContact CD2-CD1 4.09Å; W216-L221 HydrophobicContact CE3-CD1 3.62Å; W216-L221 HydrophobicContact CH2-CB 4.23Å; W216-L221 HydrophobicContact CH2-CD1 3.25Å; W216-L221 HydrophobicContact CH2-CD2 3.68Å; W216-L221 HydrophobicContact CH2-CG 3.9Å; W216-L221 HydrophobicContact CZ2-CB 3.8Å; W216-L221 HydrophobicContact CZ2-CD1 3.73Å; W216-L221 HydrophobicContact CZ2-CD2 3.73Å; W216-L221 HydrophobicContact CZ2-CG 3.95Å; W216-L221 HydrophobicContact CZ3-CD1 3.21Å; W216-L221 HydrophobicContact CZ3-CD2 4.5Å; W216-L221 HydrophobicContact CZ3-CG 4.3Å; W216-F224 HydrophobicContact CE3-CD1 4.03Å; W216-F224 HydrophobicContact CE3-CG 4.45Å
217E89.4Confident87Confident83 Ų8352 Ų5239%0.38827%0.268SS..Hα-helixtrans-63.4-41.8-179.5-74.4-65.4122.200112.1A205 E213 N214A205-E217 HydrophobicContact CB-CB 3.99Å; E213-E217 WeakPolarHBondContact O-CG 3.22Å; E213-E217 PolarHBondContact O-N 3.21Å; N214-E217 PolarHBondContact O-N 2.89Å
218V90.9Very high86.7Confident14 Ų1453.9 Ų53.99%0.08528%0.28CS..Hα-helixtrans-76.8-40.9-176174.90000112.9R178 A181 L182 A205 N214R178-V218 HydrophobicContact CB-CG1 4.13Å; R178-V218 HydrophobicContact CG-CG1 3.82Å; A181-V218 HydrophobicContact CB-CG2 3.55Å; L182-V218 HydrophobicContact CD2-CB 4.31Å; L182-V218 HydrophobicContact CD2-CG2 4.31Å; A205-V218 HydrophobicContact CB-CG2 3.65Å; N214-V218 WeakPolarHBondContact O-CB 3.49Å; N214-V218 WeakPolarHBondContact O-CG2 3.35Å; N214-V218 PolarHBondContact O-N 3.27Å
219F88.5Confident86.6Confident31 Ų3158.3 Ų58.314%0.13630%0.298CS..Hα-helixtrans-114-8.7-171.8-64.5-67.8000114.9L182 V215 F223 R272 F274 F298L182-F219 HydrophobicContact CD1-CE2 4.01Å; L182-F219 HydrophobicContact CD2-CD2 4.39Å; L182-F219 HydrophobicContact CD2-CE2 3.93Å; L182-F219 HydrophobicContact CG-CE2 4.39Å; V215-F219 HydrophobicContact CG1-CD2 4.22Å; V215-F219 PolarHBondContact O-N 2.71Å; F219-F223 HydrophobicContact CB-CB 3.88Å; F219-F223 HydrophobicContact CB-CD1 3.33Å; F219-F223 HydrophobicContact CB-CE1 4.15Å; F219-F223 HydrophobicContact CB-CG 3.81Å; F219-F223 HydrophobicContact CD2-CD1 4.04Å; F219-F223 HydrophobicContact CD2-CE1 4.05Å; F219-F223 AromaticContact CG-CD1 3.75Å; F219-F223 HydrophobicContact CG-CD1 3.75Å; F219-F223 HydrophobicContact CG-CE1 4.06Å; F219-F223 HydrophobicContact CG-CG 4.46Å; F219-R272 HydrophobicContact CE1-CG 3.98Å; F219-R272 HydrophobicContact CZ-CG 4.37Å; F219-F274 HydrophobicContact CE1-CE2 4.43Å; F219-F274 AromaticContact CE2-CE2 3.97Å; F219-F274 HydrophobicContact CE2-CE2 3.97Å; F219-F274 HydrophobicContact CZ-CD2 4.39Å; F219-F274 AromaticContact CZ-CE2 3.42Å; F219-F274 HydrophobicContact CZ-CE2 3.42Å; F219-F274 VanDerWaalsContact CZ-CE2 3.42Å; F219-F274 AromaticContact CZ-CZ 3.79Å; F219-F274 HydrophobicContact CZ-CZ 3.79Å; F219-F298 HydrophobicContact CD2-CE2 4.19Å; F219-F298 HydrophobicContact CD2-CZ 4.09Å; F219-F298 AromaticContact CE2-CE2 3.66Å; F219-F298 HydrophobicContact CE2-CE2 3.66Å; F219-F298 AromaticContact CE2-CZ 3.6Å; F219-F298 HydrophobicContact CE2-CZ 3.6Å; F219-F298 AromaticContact CZ-CE2 3.97Å; F219-F298 HydrophobicContact CZ-CE2 3.97Å; F219-F298 HydrophobicContact CZ-CZ 4.31Å
220G87.8Confident86.5Confident25 Ų2553.1 Ų53.126%0.25827%0.27SS..  trans82.6160-177.900000114.3W216 P222 F223 F224W216-G220 CarbonylContact O-C 3.55Å; W216-G220 WeakPolarHBondContact O-CA 3.39Å; W216-G220 PolarHBondContact O-N 3.45Å; G220-P222 VanDerWaalsContact C-CD 3.5Å; G220-F223 PolarHBondContact O-N 2.85Å; G220-F224 PolarHBondContact O-N 3.48Å; G220-F224 VanDerWaalsContact O-N 3.14Å
221L85.9Confident86.3Confident60 Ų6055.7 Ų55.731%0.31428%0.284SS..Hα-helixtrans-54.2-45.7179.4178.855.1000114.9W216 F223 F224 Q225W216-L221 HydrophobicContact CD2-CB 4.29Å; W216-L221 HydrophobicContact CD2-CD1 4.09Å; W216-L221 HydrophobicContact CE3-CD1 3.62Å; W216-L221 HydrophobicContact CH2-CB 4.23Å; W216-L221 HydrophobicContact CH2-CD1 3.25Å; W216-L221 HydrophobicContact CH2-CD2 3.68Å; W216-L221 HydrophobicContact CH2-CG 3.9Å; W216-L221 HydrophobicContact CZ2-CB 3.8Å; W216-L221 HydrophobicContact CZ2-CD1 3.73Å; W216-L221 HydrophobicContact CZ2-CD2 3.73Å; W216-L221 HydrophobicContact CZ2-CG 3.95Å; W216-L221 HydrophobicContact CZ3-CD1 3.21Å; W216-L221 HydrophobicContact CZ3-CD2 4.5Å; W216-L221 HydrophobicContact CZ3-CG 4.3Å; L221-F223 PolarHBondContact O-N 3.16Å; L221-F224 PolarHBondContact O-N 2.86Å; L221-Q225 HydrophobicContact CD1-CG 3.91Å; L221-Q225 HydrophobicContact CG-CG 4.41Å; L221-Q225 PolarHBondContact O-N 2.66Å
222P84.4Confident86.4Confident100 Ų10057.1 Ų57.165%0.64929%0.288SS*.Hα-helixtrans-60-32.8-178-23.734.6000112.3G220 T226G220-P222 VanDerWaalsContact C-CD 3.5Å; P222-T226 WeakPolarHBondContact O-CG2 3.32Å
223F84.5Confident86.3Confident19 Ų1953.7 Ų53.78%0.08328%0.276CS..Hα-helixtrans-74.3-43.5175.5-175.7-105.1000111.6F219 G220 L221 Q225 T226 L227 R272 F298F219-F223 HydrophobicContact CB-CB 3.88Å; F219-F223 HydrophobicContact CB-CD1 3.33Å; F219-F223 HydrophobicContact CB-CE1 4.15Å; F219-F223 HydrophobicContact CB-CG 3.81Å; F219-F223 HydrophobicContact CD2-CD1 4.04Å; F219-F223 HydrophobicContact CD2-CE1 4.05Å; F219-F223 AromaticContact CG-CD1 3.75Å; F219-F223 HydrophobicContact CG-CD1 3.75Å; F219-F223 HydrophobicContact CG-CE1 4.06Å; F219-F223 HydrophobicContact CG-CG 4.46Å; G220-F223 PolarHBondContact O-N 2.85Å; L221-F223 PolarHBondContact O-N 3.16Å; F223-Q225 VanDerWaalsContact C-N 3.29Å; F223-Q225 PolarHBondContact O-N 2.86Å; F223-T226 WeakPolarHBondContact O-CB 3.12Å; F223-T226 WeakPolarHBondContact O-CG2 3.38Å; F223-T226 PolarHBondContact O-N 3.4Å; F223-T226 PolarHBondContact O-OG1 3.46Å; F223-L227 HydrophobicContact CD1-CD1 4.33Å; F223-L227 HydrophobicContact CE1-CD1 4Å; F223-L227 HydrophobicContact CE1-CD2 4.15Å; F223-L227 HydrophobicContact CE1-CG 4.38Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F223-R272 VanDerWaalsContact CE2-NH1 3.34Å; F223-F298 HydrophobicContact CE1-CD1 4.24Å; F223-F298 AromaticContact CE1-CD2 3.61Å; F223-F298 HydrophobicContact CE1-CD2 3.61Å; F223-F298 HydrophobicContact CE1-CE1 4.22Å; F223-F298 AromaticContact CE1-CE2 3.58Å; F223-F298 HydrophobicContact CE1-CE2 3.58Å; F223-F298 AromaticContact CE1-CG 3.99Å; F223-F298 HydrophobicContact CE1-CG 3.99Å; F223-F298 AromaticContact CE1-CZ 3.94Å; F223-F298 HydrophobicContact CE1-CZ 3.94Å; F223-F298 HydrophobicContact CE2-CD2 4.46Å; F223-F298 HydrophobicContact CZ-CB 3.95Å; F223-F298 HydrophobicContact CZ-CD1 4.3Å; F223-F298 AromaticContact CZ-CD2 3.26Å; F223-F298 HydrophobicContact CZ-CD2 3.26Å; F223-F298 AromaticContact CZ-CE2 3.73Å; F223-F298 HydrophobicContact CZ-CE2 3.73Å; F223-F298 AromaticContact CZ-CG 3.63Å; F223-F298 HydrophobicContact CZ-CG 3.63Å; F223-F298 HydrophobicContact CZ-CZ 4.45Å
224F84.8Confident86.2Confident29 Ų2952.8 Ų52.813%0.12728%0.28CS..Hα-helixtrans-59.1-39179.5-178.1-99.6000112.7K212 V215 W216 G220 L221 T226 L227 Y259K212-F224 HydrophobicContact CD-CZ 3.91Å; K212-F224 HydrophobicContact CG-CE1 4.28Å; K212-F224 HydrophobicContact CG-CE2 3.53Å; K212-F224 HydrophobicContact CG-CZ 3.32Å; V215-F224 HydrophobicContact CB-CD2 4.17Å; V215-F224 HydrophobicContact CG1-CD2 3.98Å; W216-F224 HydrophobicContact CE3-CD1 4.03Å; W216-F224 HydrophobicContact CE3-CG 4.45Å; G220-F224 PolarHBondContact O-N 3.48Å; G220-F224 VanDerWaalsContact O-N 3.14Å; L221-F224 PolarHBondContact O-N 2.86Å; F224-T226 PolarHBondContact O-N 3.4Å; F224-T226 VanDerWaalsContact O-N 3.12Å; F224-L227 HydrophobicContact CD2-CD1 4.27Å; F224-L227 WeakPolarHBondContact O-CB 3.43Å; F224-L227 PolarHBondContact O-N 3.12Å; F224-Y259 HydrophobicContact CE2-CE1 4.21Å; F224-Y259 HydrophobicContact CZ-CE1 4.42Å
225Q84.1Confident85.9Confident141 Ų14153.8 Ų53.866%0.65929%0.287SS*.THydrogen-bonded Turntrans-61.1-19.6175.7-73.2173.2-30.800114L221 F223 L227L221-Q225 HydrophobicContact CD1-CG 3.91Å; L221-Q225 HydrophobicContact CG-CG 4.41Å; L221-Q225 PolarHBondContact O-N 2.66Å; F223-Q225 VanDerWaalsContact C-N 3.29Å; F223-Q225 PolarHBondContact O-N 2.86Å; Q225-L227 VanDerWaalsContact C-N 3.26Å
226T83.3Confident85.9Confident21 Ų2156.4 Ų56.413%0.12930%0.303CS..THydrogen-bonded Turntrans-81.5-8.2177.579.50000113P222 F223 F224 S262 Q265P222-T226 WeakPolarHBondContact O-CG2 3.32Å; F223-T226 WeakPolarHBondContact O-CB 3.12Å; F223-T226 WeakPolarHBondContact O-CG2 3.38Å; F223-T226 PolarHBondContact O-N 3.4Å; F223-T226 PolarHBondContact O-OG1 3.46Å; F224-T226 PolarHBondContact O-N 3.4Å; F224-T226 VanDerWaalsContact O-N 3.12Å; T226-S262 PolarHBondContact O-N 2.78Å; T226-Q265 HydrophobicContact CG2-CB 4.38Å
227L84.3Confident85.8Confident21 Ų2157.3 Ų57.311%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-99.1143.7-170.9-56.6179.3000112.2V215 F223 F224 Q225 Y259 V260 F298V215-L227 HydrophobicContact CG1-CD1 3.55Å; F223-L227 HydrophobicContact CD1-CD1 4.33Å; F223-L227 HydrophobicContact CE1-CD1 4Å; F223-L227 HydrophobicContact CE1-CD2 4.15Å; F223-L227 HydrophobicContact CE1-CG 4.38Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F224-L227 HydrophobicContact CD2-CD1 4.27Å; F224-L227 WeakPolarHBondContact O-CB 3.43Å; F224-L227 PolarHBondContact O-N 3.12Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; L227-Y259 HydrophobicContact CB-CD1 4.34Å; L227-V260 CarbonylContact C-O 3.52Å; L227-V260 WeakPolarHBondContact CA-O 3.27Å; L227-F298 HydrophobicContact CD1-CD1 4.22Å; L227-F298 HydrophobicContact CD1-CE1 4.26Å; L227-F298 HydrophobicContact CD2-CB 4Å; L227-F298 HydrophobicContact CD2-CD1 3.83Å; L227-F298 HydrophobicContact CD2-CG 4.12Å
228V83.7Confident85.6Confident49 Ų4959 Ų5930%0.29732%0.323SS..EExtended strand (participates in β ladder)trans-115.8137.2173.7-178.50000107.6L230 Y259 V260V228-L230 PolarHBondContact O-N 3.39Å; V228-Y259 CarbonylContact O-C 3.49Å; V228-Y259 WeakPolarHBondContact O-CA 2.94Å; V228-V260 HydrophobicContact CB-CG2 4.39Å; V228-V260 PolarHBondContact N-O 3.08Å; V228-V260 PolarHBondContact O-N 3.02Å
229Q84.9Confident85.2Confident119 Ų11958.6 Ų58.656%0.55632%0.321SS*.EExtended strand (participates in β ladder)trans-70.7128.8175.5-175.8176.6-5.900109.8V231 G258 Y259Q229-V231 PolarHBondContact O-N 3.1Å; Q229-G258 WeakPolarHBondContact CA-O 3.32Å; Q229-Y259 HydrophobicContact CB-CD1 4.26Å; Q229-Y259 HydrophobicContact CB-CE1 4.03Å; Q229-Y259 HydrophobicContact CG-CE1 4.39Å
230L83.6Confident85.1Confident2 Ų257.8 Ų57.81%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-75.7124.4174.5-170.572.9000109.7V228 I256 G258 V260 L301 L334 A337V228-L230 PolarHBondContact O-N 3.39Å; L230-I256 HydrophobicContact CD2-CG2 4.17Å; L230-G258 PolarHBondContact N-O 3.38Å; L230-V260 HydrophobicContact CB-CG1 4.41Å; L230-V260 HydrophobicContact CD1-CG1 4.36Å; L230-V260 HydrophobicContact CD1-CG2 4.41Å; L230-L301 HydrophobicContact CD2-CD2 3.32Å; L230-L334 HydrophobicContact CD1-CD2 3.99Å; L230-L334 HydrophobicContact CD1-CG 4.29Å; L230-A337 HydrophobicContact CD1-CB 4.23Å
231V84.5Confident85Confident90 Ų9061.8 Ų61.855%0.54533%0.334SS..PPolyproline II helixtrans-99124.7169.8-1790000107.8Q229 V233 S333Q229-V231 PolarHBondContact O-N 3.1Å; V231-V233 PolarHBondContact O-N 3.32Å; V231-S333 WeakPolarHBondContact O-CB 3.3Å
232Q86.3Confident84.8Confident65 Ų6564.6 Ų64.630%0.30435%0.349SS..PPolyproline II helixtrans-68.5125.7177.5-177.4179-1500110.1I256 I329 S333Q232-I256 HydrophobicContact CG-CB 4.46Å; Q232-I329 HydrophobicContact CG-CG2 3.77Å; Q232-S333 WeakPolarHBondContact CA-OG 3.31Å
233V85.4Confident84.6Confident34 Ų3460.1 Ų60.121%0.20632%0.32CS..  trans-120.6137.4177.7-178.30000108.7V231 Q332 S333V231-V233 PolarHBondContact O-N 3.32Å; V233-Q332 HydrophobicContact CB-CG 4.49Å; V233-Q332 HydrophobicContact CG1-CG 4.14Å; V233-S333 PolarHBondContact N-OG 3.19Å; V233-S333 PolarHBondContact O-OG 3.4Å
234P86Confident84.6Confident91 Ų9167.1 Ų67.159%0.59135%0.35SS*.PPolyproline II helixtrans-61.5143.4174.326.2-34.8000110.9Q332P234-Q332 WeakPolarHBondContact O-CG 3.45Å
235P85.8Confident84.5Confident21 Ų2166.7 Ų66.714%0.13635%0.35CS..PPolyproline II helixtrans-70142.2-177.530.8-34.2000110.9T239 L240 L325 A328 I329 Q332P235-T239 WeakPolarHBondContact CB-OG1 3.33Å; P235-L240 HydrophobicContact CB-CD2 3.94Å; P235-L240 HydrophobicContact CB-CG 3.99Å; P235-L240 HydrophobicContact CG-CD1 4.37Å; P235-L240 HydrophobicContact CG-CD2 3.6Å; P235-L240 HydrophobicContact CG-CG 3.99Å; P235-L325 HydrophobicContact CG-CD1 4.41Å; P235-A328 HydrophobicContact CB-CB 3.92Å; P235-A328 HydrophobicContact CG-CB 4.47Å; P235-I329 HydrophobicContact CG-CG1 4.13Å; P235-Q332 HydrophobicContact CB-CB 4.46Å
236T87.5Confident84.2Confident55 Ų5569.2 Ų69.234%0.33736%0.362SS..PPolyproline II helixtrans-75.3162.4171.158.50000110.8D238 T239 L240 Q332T236-D238 PolarHBondContact O-N 2.86Å; T236-T239 PolarHBondContact N-OG1 3.31Å; T236-T239 PolarHBondContact O-N 3.11Å; T236-T239 PolarHBondContact O-OG1 2.97Å; T236-T239 PolarHBondContact OG1-N 3.49Å; T236-T239 PolarHBondContact OG1-OG1 3.48Å; T236-L240 WeakPolarHBondContact O-CG 3.49Å; T236-L240 PolarHBondContact O-N 3.36Å; T236-Q332 HydrophobicContact CG2-CG 4.43Å; T236-Q332 PolarHBondContact OG1-OE1 2.91Å
237E86Confident83.7Confident134 Ų13471.9 Ų71.963%0.62638%0.375SS*.Hα-helixtrans-57.3-37.6175.6-65.8-144.3130.700112.6L240 N241 K248E237-L240 PolarHBondContact O-N 2.85Å; E237-N241 WeakPolarHBondContact O-CB 3.18Å; E237-N241 PolarHBondContact O-N 3.29Å; E237-N241 PolarHBondContact O-ND2 2.92Å; E237-K248 IonicContact OE1-NZ 2.69Å
238D84.8Confident83.4Confident118 Ų11875.8 Ų75.863%0.63139%0.391SS*.Hα-helixtrans-60.3-48.8176.4-61.7-31.6000111.5T236 L240 N241 D242T236-D238 PolarHBondContact O-N 2.86Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.43Å; D238-N241 PolarHBondContact O-N 3Å; D238-D242 WeakPolarHBondContact O-CB 3.37Å; D238-D242 PolarHBondContact O-N 3.25Å
239T83.2Confident83Confident6 Ų676.8 Ų76.84%0.03740%0.395CS..Hα-helixtrans-66.7-33.8178.4560000113.3P235 T236 C243 Q332 L335P235-T239 WeakPolarHBondContact CB-OG1 3.33Å; T236-T239 PolarHBondContact N-OG1 3.31Å; T236-T239 PolarHBondContact O-N 3.11Å; T236-T239 PolarHBondContact O-OG1 2.97Å; T236-T239 PolarHBondContact OG1-N 3.49Å; T236-T239 PolarHBondContact OG1-OG1 3.48Å; T239-C243 VanDerWaalsContact O-CB 3.3Å; T239-C243 WeakPolarHBondContact O-CB 3.4Å; T239-C243 PolarHBondContact O-N 2.84Å; T239-Q332 HydrophobicContact CG2-CB 4.39Å; T239-L335 HydrophobicContact CG2-CD1 4.37Å
240L86Confident82.3Confident13 Ų1375 Ų757%0.06839%0.389CS..Hα-helixtrans-64.4-42.2174.5-71171000111.3P235 T236 E237 D238 K244 V245 K248 L325 A328P235-L240 HydrophobicContact CB-CD2 3.94Å; P235-L240 HydrophobicContact CB-CG 3.99Å; P235-L240 HydrophobicContact CG-CD1 4.37Å; P235-L240 HydrophobicContact CG-CD2 3.6Å; P235-L240 HydrophobicContact CG-CG 3.99Å; T236-L240 WeakPolarHBondContact O-CG 3.49Å; T236-L240 PolarHBondContact O-N 3.36Å; E237-L240 PolarHBondContact O-N 2.85Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.43Å; L240-K244 PolarHBondContact O-N 2.83Å; L240-K244 VanDerWaalsContact O-N 3.08Å; L240-V245 HydrophobicContact CB-CB 4.44Å; L240-V245 HydrophobicContact CD2-CB 3.83Å; L240-V245 HydrophobicContact CD2-CG1 3.95Å; L240-V245 HydrophobicContact CD2-CG2 3.8Å; L240-V245 PolarHBondContact O-N 2.88Å; L240-K248 HydrophobicContact CD1-CD 3.91Å; L240-K248 HydrophobicContact CD1-CG 4.28Å; L240-L325 HydrophobicContact CD2-CD1 4.01Å; L240-A328 HydrophobicContact CD2-CB 4.16Å
241N85.1Confident81.6Confident110 Ų11078.3 Ų78.359%0.58841%0.412SS*.Hα-helixtrans-66.7-45.5177.3-70.3-27000111.3E237 D238 C243 K244E237-N241 WeakPolarHBondContact O-CB 3.18Å; E237-N241 PolarHBondContact O-N 3.29Å; E237-N241 PolarHBondContact O-ND2 2.92Å; D238-N241 PolarHBondContact O-N 3Å; N241-C243 VanDerWaalsContact C-N 3.32Å; N241-C243 PolarHBondContact O-N 3.29Å; N241-K244 PolarHBondContact O-N 3.06Å
242D82.6Confident80.6Confident119 Ų11978.3 Ų78.364%0.63640%0.403SS*.Hα-helixtrans-61-39.8177.5-76.8-10.3000112.4D238 K244D238-D242 WeakPolarHBondContact O-CB 3.37Å; D238-D242 PolarHBondContact O-N 3.25Å; D242-K244 VanDerWaalsContact C-N 3.29Å; D242-K244 PolarHBondContact O-N 3.33Å
243C80.9Confident79.9Confident6 Ų675.7 Ų75.74%0.04139%0.391CS..THydrogen-bonded Turntrans-79.2-4.8174.9-77.80000114.2T239 N241 V245 N324 A328 R331T239-C243 VanDerWaalsContact O-CB 3.3Å; T239-C243 WeakPolarHBondContact O-CB 3.4Å; T239-C243 PolarHBondContact O-N 2.84Å; N241-C243 VanDerWaalsContact C-N 3.32Å; N241-C243 PolarHBondContact O-N 3.29Å; C243-V245 VanDerWaalsContact C-N 3.31Å; C243-V245 HydrophobicContact CB-CG2 3.71Å; C243-V245 PolarHBondContact O-N 2.98Å; C243-N324 WeakPolarHBondContact O-CB 3.26Å; C243-N324 PolarHBondContact O-ND2 3.46Å; C243-A328 HydrophobicContact CB-CB 3.89Å; C243-A328 WeakPolarHBondContact SG-CA 3.4Å; C243-A328 PolarHBondContact SG-N 2.91Å; C243-A328 VanDerWaalsContact SG-N 3.41Å; C243-R331 PolarHBondContact SG-NH1 3.14Å
244K84.3Confident79.2Confident166 Ų16679.3 Ų79.372%0.72241%0.409SS*.THydrogen-bonded Turntrans53.947.2-176.5-53.7176.6-178.8178.90112.2L240 N241 D242 Q246 N324L240-K244 PolarHBondContact O-N 2.83Å; L240-K244 VanDerWaalsContact O-N 3.08Å; N241-K244 PolarHBondContact O-N 3.06Å; D242-K244 VanDerWaalsContact C-N 3.29Å; D242-K244 PolarHBondContact O-N 3.33Å; K244-Q246 PolarHBondContact O-N 2.84Å; K244-N324 PolarHBondContact O-ND2 3.04Å
245V81.7Confident78.8Confident19 Ų1980.7 Ų80.712%0.11541%0.406CS..  trans-77.3118.1178.2-177.70000109.5L240 C243 D247 N324 L325 A328L240-V245 HydrophobicContact CB-CB 4.44Å; L240-V245 HydrophobicContact CD2-CB 3.83Å; L240-V245 HydrophobicContact CD2-CG1 3.95Å; L240-V245 HydrophobicContact CD2-CG2 3.8Å; L240-V245 PolarHBondContact O-N 2.88Å; C243-V245 VanDerWaalsContact C-N 3.31Å; C243-V245 HydrophobicContact CB-CG2 3.71Å; C243-V245 PolarHBondContact O-N 2.98Å; V245-D247 WeakPolarHBondContact CG1-O 3.44Å; V245-N324 HydrophobicContact CG2-CB 4.06Å; V245-N324 WeakPolarHBondContact CG2-O 3Å; V245-L325 HydrophobicContact CG1-CB 4.03Å; V245-L325 HydrophobicContact CG1-CD1 3.99Å; V245-A328 HydrophobicContact CG2-CB 4.02Å
246Q77.3Confident78.5Confident194 Ų19479.8 Ų79.891%0.90740%0.4SS*.SBendtrans-87.1-43.4176.3-65.3-177.9-4.200111.9K244K244-Q246 PolarHBondContact O-N 2.84Å
247D74.2Confident78.2Confident78 Ų7880 Ų8042%0.41740%0.399SS..  trans-107.9114.3-178.2-177.7-15.8000109.6V245 D249 K322V245-D247 WeakPolarHBondContact CG1-O 3.44Å; D247-D249 WeakPolarHBondContact OD1-CB 3.47Å; D247-D249 PolarHBondContact OD1-N 3.43Å; D247-K322 HydrophobicContact CB-CD 4.33Å; D247-K322 VanDerWaalsContact CG-CE 3.5Å; D247-K322 IonicContact OD1-NZ 2.65Å; D247-K322 PolarHBondContact OD1-NZ 2.79Å; D247-K322 WeakPolarHBondContact OD2-CE 3.41Å; D247-K322 IonicContact OD2-NZ 3.47Å; D247-K322 PolarHBondContact OD2-NZ 3.07Å
248K77.2Confident78.1Confident103 Ų10374 Ų7445%0.44837%0.373SS..  trans-91.45.1-176.1-60.1-176.2-179.2-174.80113.4E237 L240 L250E237-K248 IonicContact OE1-NZ 2.69Å; L240-K248 HydrophobicContact CD1-CD 3.91Å; L240-K248 HydrophobicContact CD1-CG 4.28Å; K248-L250 PolarHBondContact O-N 3.45Å
249D74.8Confident78Confident70 Ų7069.7 Ų69.737%0.37435%0.348SS..  trans-72106.9-177.9164.231.3000111.2D247 S251 Y252 K322 L325D247-D249 WeakPolarHBondContact OD1-CB 3.47Å; D247-D249 PolarHBondContact OD1-N 3.43Å; D249-S251 VanDerWaalsContact C-N 3.26Å; D249-S251 PolarHBondContact O-N 2.92Å; D249-S251 VanDerWaalsContact OD1-CB 3.22Å; D249-S251 WeakPolarHBondContact OD1-CB 3.18Å; D249-S251 PolarHBondContact OD1-N 2.68Å; D249-S251 PolarHBondContact OD1-OG 2.81Å; D249-S251 PolarHBondContact OD2-OG 3.49Å; D249-Y252 WeakPolarHBondContact OD2-CD2 3.45Å; D249-Y252 WeakPolarHBondContact OD2-CE2 3Å; D249-K322 VanDerWaalsContact CB-NZ 3.32Å; D249-K322 PolarHBondContact O-NZ 2.87Å; D249-K322 VanDerWaalsContact O-NZ 3.08Å; D249-K322 IonicContact OD2-NZ 3.6Å; D249-K322 PolarHBondContact OD2-NZ 2.91Å; D249-L325 WeakPolarHBondContact O-CD2 3.42Å
250L71Confident78Confident82 Ų8269.4 Ų69.443%0.42935%0.346SS..G310 helixtrans-70.7-14.4-176.1-69.3164.6000113.6K248 Y252 I253 L325 I329K248-L250 PolarHBondContact O-N 3.45Å; L250-Y252 PolarHBondContact O-N 3.39Å; L250-I253 PolarHBondContact O-N 2.89Å; L250-I253 VanDerWaalsContact O-N 3.11Å; L250-L325 HydrophobicContact CD2-CD1 4.27Å; L250-I329 HydrophobicContact CD2-CD1 3.9Å; L250-I329 HydrophobicContact CD2-CG1 4.29Å
251S68.9Low77.7Confident71 Ų7168.9 Ų68.950%0.49734%0.344SS..G310 helixtrans-61.8-17.3-175.6660000114.2D249D249-S251 VanDerWaalsContact C-N 3.26Å; D249-S251 PolarHBondContact O-N 2.92Å; D249-S251 VanDerWaalsContact OD1-CB 3.22Å; D249-S251 WeakPolarHBondContact OD1-CB 3.18Å; D249-S251 PolarHBondContact OD1-N 2.68Å; D249-S251 PolarHBondContact OD1-OG 2.81Å; D249-S251 PolarHBondContact OD2-OG 3.49Å
252Y64.2Low77.3Confident90 Ų9064.6 Ų64.635%0.35332%0.323SS..G310 helixtrans-78.3-19.5179-75.9-99.1000113.9D249 L250 G305 F306 A321 K322D249-Y252 WeakPolarHBondContact OD2-CD2 3.45Å; D249-Y252 WeakPolarHBondContact OD2-CE2 3Å; L250-Y252 PolarHBondContact O-N 3.39Å; Y252-G305 WeakPolarHBondContact O-CA 3.47Å; Y252-F306 HydrophobicContact CD1-CD2 4.26Å; Y252-A321 HydrophobicContact CD1-CB 4.43Å; Y252-K322 HydrophobicContact CD2-CD 4.16Å; Y252-K322 VanDerWaalsContact CE2-NZ 3.25Å; Y252-K322 HydrophobicContact CG-CD 4.23Å
253I70.8Confident76.7Confident9 Ų961.2 Ų61.25%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-120.595.9-175.8-59.2169.9000108.2L250 I256 L325 L326 I329L250-I253 PolarHBondContact O-N 2.89Å; L250-I253 VanDerWaalsContact O-N 3.11Å; I253-I256 HydrophobicContact CG2-CD1 4.2Å; I253-I256 HydrophobicContact CG2-CG1 4.1Å; I253-L325 HydrophobicContact CD1-CB 4.39Å; I253-L325 HydrophobicContact CD1-CD2 4.23Å; I253-L325 HydrophobicContact CD1-CG 4.07Å; I253-L326 HydrophobicContact CD1-CB 3.7Å; I253-L326 HydrophobicContact CD1-CD1 4.07Å; I253-L326 HydrophobicContact CG2-CD1 4.09Å; I253-I329 HydrophobicContact CB-CD1 4.16Å; I253-I329 HydrophobicContact CD1-CD1 3.6Å; I253-I329 HydrophobicContact CG1-CD1 4.47Å; I253-I329 HydrophobicContact CG2-CD1 4.09Å
254N71Confident76.1Confident111 Ų11167.4 Ų67.459%0.59433%0.334SS*.EExtended strand (participates in β ladder)trans-70.5-53.5-170.8-68.4-28.4000112.3A304N254-A304 HydrophobicContact CB-CB 4.38Å; N254-A304 WeakPolarHBondContact CB-O 3.46Å; N254-A304 PolarHBondContact N-O 2.69Å
255K77.9Confident75.3Confident120 Ų12064.6 Ų64.652%0.52232%0.323SS..EExtended strand (participates in β ladder)trans-156.5134-172.6-160.4170.6-172.6-179.90111.7N257 A304K255-N257 WeakPolarHBondContact CD-ND2 3.38Å; K255-N257 VanDerWaalsContact CE-ND2 3.35Å; K255-N257 WeakPolarHBondContact CE-ND2 3.43Å; K255-N257 WeakPolarHBondContact CE-OD1 3.46Å; K255-A304 PolarHBondContact O-N 2.82Å
256I79.6Confident74.4Confident1 Ų164.9 Ų64.91%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-114.1116.9170.3-52.4-177.8000107.5L230 Q232 I253 L301 K302 V303 L326 I329 I330L230-I256 HydrophobicContact CD2-CG2 4.17Å; Q232-I256 HydrophobicContact CG-CB 4.46Å; I253-I256 HydrophobicContact CG2-CD1 4.2Å; I253-I256 HydrophobicContact CG2-CG1 4.1Å; I256-L301 HydrophobicContact CG2-CD2 4.13Å; I256-K302 WeakPolarHBondContact CA-O 3.45Å; I256-V303 HydrophobicContact CG1-CG2 4.4Å; I256-V303 HydrophobicContact CG2-CG2 4.47Å; I256-L326 HydrophobicContact CD1-CD1 3.62Å; I256-L326 HydrophobicContact CG1-CD1 4.39Å; I256-I329 HydrophobicContact CD1-CB 4.25Å; I256-I329 HydrophobicContact CD1-CG2 3.61Å; I256-I330 HydrophobicContact CD1-CD1 4.37Å; I256-I330 HydrophobicContact CD1-CG1 3.67Å
257N80.8Confident73.9Confident61 Ų6159.2 Ų59.233%0.32630%0.301SS..EExtended strand (participates in β ladder)trans-125.9149.2176.7-66.4-35.1000110.9K255 K302K255-N257 WeakPolarHBondContact CD-ND2 3.38Å; K255-N257 VanDerWaalsContact CE-ND2 3.35Å; K255-N257 WeakPolarHBondContact CE-ND2 3.43Å; K255-N257 WeakPolarHBondContact CE-OD1 3.46Å; N257-K302 PolarHBondContact N-O 3.36Å; N257-K302 PolarHBondContact O-N 3.28Å
258G83Confident73.4Confident8 Ų859.8 Ų59.88%0.08232%0.316CS..EExtended strand (participates in β ladder)trans150.6-146.1158.400000111.8Q229 L230 Q300Q229-G258 WeakPolarHBondContact CA-O 3.32Å; L230-G258 PolarHBondContact N-O 3.38Å; G258-Q300 CarbonylContact C-O 3.59Å; G258-Q300 WeakPolarHBondContact CA-O 3.49Å
259Y83.8Confident73Confident27 Ų2758.1 Ų58.111%0.10632%0.317CS..EExtended strand (participates in β ladder)trans-130144.7-166.5-64.9-84.5000111.3V211 K212 V215 F224 L227 V228 Q229 F298 P299 Q300V211-Y259 HydrophobicContact CG1-CD2 4.42Å; V211-Y259 HydrophobicContact CG1-CE2 4.16Å; K212-Y259 HydrophobicContact CB-CE2 4.46Å; K212-Y259 VanDerWaalsContact CB-OH 3.26Å; K212-Y259 WeakPolarHBondContact CB-OH 3.48Å; K212-Y259 WeakPolarHBondContact CG-OH 3.3Å; V215-Y259 HydrophobicContact CG2-CD2 4.43Å; F224-Y259 HydrophobicContact CE2-CE1 4.21Å; F224-Y259 HydrophobicContact CZ-CE1 4.42Å; L227-Y259 HydrophobicContact CB-CD1 4.34Å; V228-Y259 CarbonylContact O-C 3.49Å; V228-Y259 WeakPolarHBondContact O-CA 2.94Å; Q229-Y259 HydrophobicContact CB-CD1 4.26Å; Q229-Y259 HydrophobicContact CB-CE1 4.03Å; Q229-Y259 HydrophobicContact CG-CE1 4.39Å; Y259-F298 CarbonylContact C-O 3.59Å; Y259-P299 WeakPolarHBondContact O-CA 3.26Å; Y259-Q300 PolarHBondContact N-O 2.83Å; Y259-Q300 PolarHBondContact O-N 3.02Å
260V82.9Confident72.8Confident0 Ų060.2 Ų60.20%032%0.323CS..EExtended strand (participates in β ladder)trans-130.4144.8176.9-64.10000109.8L227 V228 L230 F298 L334L227-V260 CarbonylContact C-O 3.52Å; L227-V260 WeakPolarHBondContact CA-O 3.27Å; V228-V260 HydrophobicContact CB-CG2 4.39Å; V228-V260 PolarHBondContact N-O 3.08Å; V228-V260 PolarHBondContact O-N 3.02Å; L230-V260 HydrophobicContact CB-CG1 4.41Å; L230-V260 HydrophobicContact CD1-CG1 4.36Å; L230-V260 HydrophobicContact CD1-CG2 4.41Å; V260-F298 WeakPolarHBondContact CA-O 3.44Å; V260-L334 HydrophobicContact CB-CD2 4.27Å; V260-L334 HydrophobicContact CG1-CD2 3.63Å; V260-L334 HydrophobicContact CG2-CD2 4.45Å
261S80.3Confident72.8Confident1 Ų159.1 Ų59.11%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-65.1144.6174.3-570000110.9Y297 F298S261-Y297 VanDerWaalsContact O-CD1 3.29Å; S261-Y297 WeakPolarHBondContact O-CD1 3.46Å; S261-F298 VanDerWaalsContact OG-CB 3.24Å; S261-F298 WeakPolarHBondContact OG-CB 3.39Å; S261-F298 PolarHBondContact OG-N 3.32Å; S261-F298 VanDerWaalsContact OG-N 3.09Å
262S75.6Confident73.3Confident21 Ų2158.7 Ų58.715%0.14731%0.305CS..  trans-59.2149.3168.6178.80000111T226 H264 Q265T226-S262 PolarHBondContact O-N 2.78Å; S262-H264 PolarHBondContact O-N 3.18Å; S262-Q265 PolarHBondContact O-N 3.47Å
263V70Confident74.1Confident48 Ų4856.3 Ų56.329%0.29130%0.297SS..G310 helixtrans-50.3-36.1-178.9-175.30000112.3F338V263-F338 HydrophobicContact CG2-CB 3.8Å; V263-F338 HydrophobicContact CG2-CD1 3.36Å; V263-F338 HydrophobicContact CG2-CE1 4.16Å; V263-F338 HydrophobicContact CG2-CG 3.76Å
264H67.8Low74.7Confident136 Ų13656.2 Ų56.263%0.6330%0.296SS*.G310 helixtrans-86.2-12-175.2-55.4-60.2000114.5S262S262-H264 PolarHBondContact O-N 3.18Å
265Q67.7Low75.3Confident106 Ų10651.7 Ų51.750%0.49527%0.272SS..G310 helixtrans-123.630.1-171.9-64.9-173.4-6.300112.6T226 S262T226-Q265 HydrophobicContact CG2-CB 4.38Å; S262-Q265 PolarHBondContact O-N 3.47Å
266G63.8Low75.4Confident25 Ų2546.2 Ų46.226%0.25825%0.248SC..  trans-68.5152.2177.800000114R296G266-R296 CarbonylContact C-O 3.44Å; G266-R296 VanDerWaalsContact C-O 3.26Å; G266-R296 WeakPolarHBondContact CA-O 3.33Å
267R66Low75.3Confident76 Ų7646.2 Ų46.229%0.28725%0.249SC..  trans-103.2138174.8-58.6-134.6-57.5156.41.4112.2S269 D271 R272 R296R267-S269 PolarHBondContact O-N 3.04Å; R267-D271 IonicContact CZ-OD1 2.84Å; R267-D271 IonicContact CZ-OD2 3.23Å; R267-D271 IonicContact NH1-OD1 3.77Å; R267-D271 IonicContact NH1-OD2 3.85Å; R267-D271 PolarHBondContact NH1-OD2 2.84Å; R267-D271 IonicContact NH2-OD1 3.79Å; R267-D271 PolarHBondContact NH2-OD1 3.02Å; R267-D271 IonicContact NH2-OD2 3.99Å; R267-D271 PolarHBondContact NH2-OD2 2.84Å; R267-R272 VanDerWaalsContact NH2-NE 3.13Å; R267-R296 PolarHBondContact N-O 3.03Å; R267-R296 WeakPolarHBondContact O-CA 3.37Å; R267-R296 WeakPolarHBondContact O-CB 3.25Å; R267-R296 WeakPolarHBondContact O-CG 3.45Å
268A64Low74.9Confident90 Ų9046.6 Ų46.674%0.74425%0.25SS*.SBendtrans-68.7-24.4176.700000113.3
269S68.6Low74.4Confident67 Ų6749 Ų4947%0.46926%0.262SS..SBendtrans-98.5149-176.4171.10000111.9R267 D271R267-S269 PolarHBondContact O-N 3.04Å; S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 WeakPolarHBondContact CB-OD1 3.48Å; S269-D271 PolarHBondContact OG-N 3.47Å; S269-D271 PolarHBondContact OG-OD1 2.8Å
270K70.4Confident73.9Confident115 Ų11549 Ų4950%0.526%0.261SS..  trans-86.65.4178.8-61.2-172.9175.3-163.90113.8R272 Q273 S292K270-R272 PolarHBondContact O-N 2.89Å; K270-Q273 HydrophobicContact CB-CG 4.44Å; K270-Q273 PolarHBondContact O-N 3.06Å; K270-S292 VanDerWaalsContact CE-OG 3.3Å; K270-S292 WeakPolarHBondContact CE-OG 3.29Å; K270-S292 PolarHBondContact NZ-OG 3.14Å; K270-S292 VanDerWaalsContact NZ-OG 3.14Å
271D72.3Confident73.7Confident58 Ų5849.8 Ų49.831%0.3127%0.267SS..THydrogen-bonded Turntrans-672.1-174.462.4-45.2000115R267 S269R267-D271 IonicContact CZ-OD1 2.84Å; R267-D271 IonicContact CZ-OD2 3.23Å; R267-D271 IonicContact NH1-OD1 3.77Å; R267-D271 IonicContact NH1-OD2 3.85Å; R267-D271 PolarHBondContact NH1-OD2 2.84Å; R267-D271 IonicContact NH2-OD1 3.79Å; R267-D271 PolarHBondContact NH2-OD1 3.02Å; R267-D271 IonicContact NH2-OD2 3.99Å; R267-D271 PolarHBondContact NH2-OD2 2.84Å; S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 WeakPolarHBondContact CB-OD1 3.48Å; S269-D271 PolarHBondContact OG-N 3.47Å; S269-D271 PolarHBondContact OG-OD1 2.8Å
272R77.9Confident73.4Confident62 Ų6250.4 Ų50.423%0.23427%0.271CS..THydrogen-bonded Turntrans-141.952.6174.8-67.8-179-162.3-171.60.9111.1F219 F223 R267 K270 F274 F298F219-R272 HydrophobicContact CE1-CG 3.98Å; F219-R272 HydrophobicContact CZ-CG 4.37Å; F223-R272 VanDerWaalsContact CE2-NH1 3.34Å; R267-R272 VanDerWaalsContact NH2-NE 3.13Å; K270-R272 PolarHBondContact O-N 2.89Å; R272-F274 HydrophobicContact CB-CE2 3.93Å; R272-F274 HydrophobicContact CG-CE2 4.37Å; R272-F298 HydrophobicContact CB-CD2 3.39Å; R272-F298 HydrophobicContact CB-CE2 3.61Å; R272-F298 HydrophobicContact CG-CD2 4.41Å; R272-F298 HydrophobicContact CG-CE2 4.36Å; R272-F298 WeakPolarHBondContact O-CD2 3.46Å; R272-F298 WeakPolarHBondContact O-CE2 3.48Å; R272-F298 WeakPolarHBondContact O-CG 3.31Å
273Q81.5Confident73.3Confident40 Ų4055.1 Ų55.119%0.18729%0.291CS..  trans-113.6114.6173-55.8-167.3-32.800107.6K270 Y297 P299K270-Q273 HydrophobicContact CB-CG 4.44Å; K270-Q273 PolarHBondContact O-N 3.06Å; Q273-Y297 PolarHBondContact NE2-O 3.28Å; Q273-Y297 VanDerWaalsContact NE2-O 3.14Å; Q273-P299 HydrophobicContact CB-CG 4.07Å; Q273-P299 HydrophobicContact CG-CG 4.21Å
274F84.7Confident73.4Confident7 Ų753.1 Ų53.13%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-121.8108.6-172-62-77.3000109.7D175 R178 S179 L182 F219 R272 F276 F298 P299 Q300 L301D175-F274 WeakPolarHBondContact O-CE1 2.95Å; R178-F274 HydrophobicContact CB-CE1 4.41Å; R178-F274 HydrophobicContact CB-CZ 4.39Å; S179-F274 WeakPolarHBondContact OG-CD1 3.46Å; S179-F274 WeakPolarHBondContact OG-CE1 3.41Å; L182-F274 HydrophobicContact CD1-CB 4Å; L182-F274 HydrophobicContact CD1-CD1 3.92Å; L182-F274 HydrophobicContact CD1-CD2 3.58Å; L182-F274 HydrophobicContact CD1-CE1 4.3Å; L182-F274 HydrophobicContact CD1-CE2 4Å; L182-F274 HydrophobicContact CD1-CG 3.54Å; L182-F274 HydrophobicContact CD1-CZ 4.34Å; F219-F274 HydrophobicContact CE1-CE2 4.43Å; F219-F274 AromaticContact CE2-CE2 3.97Å; F219-F274 HydrophobicContact CE2-CE2 3.97Å; F219-F274 HydrophobicContact CZ-CD2 4.39Å; F219-F274 AromaticContact CZ-CE2 3.42Å; F219-F274 HydrophobicContact CZ-CE2 3.42Å; F219-F274 VanDerWaalsContact CZ-CE2 3.42Å; F219-F274 AromaticContact CZ-CZ 3.79Å; F219-F274 HydrophobicContact CZ-CZ 3.79Å; R272-F274 HydrophobicContact CB-CE2 3.93Å; R272-F274 HydrophobicContact CG-CE2 4.37Å; F274-F276 HydrophobicContact CB-CE2 3.65Å; F274-F276 HydrophobicContact CB-CZ 3.89Å; F274-F298 HydrophobicContact CD2-CD2 4.45Å; F274-F298 AromaticContact CD2-CE2 3.57Å; F274-F298 HydrophobicContact CD2-CE2 3.57Å; F274-F298 AromaticContact CD2-CZ 3.62Å; F274-F298 HydrophobicContact CD2-CZ 3.62Å; F274-F298 AromaticContact CE2-CE2 3.59Å; F274-F298 HydrophobicContact CE2-CE2 3.59Å; F274-F298 HydrophobicContact CE2-CZ 4.01Å; F274-P299 CarbonylContact C-O 3.45Å; F274-P299 PolarHBondContact N-O 2.78Å; F274-Q300 VanDerWaalsContact O-CA 3.24Å; F274-Q300 WeakPolarHBondContact O-CA 3.32Å; F274-L301 PolarHBondContact O-N 3.31Å; F274-L301 VanDerWaalsContact O-N 3.12Å
275L82.7Confident73.7Confident16 Ų1653.3 Ų53.38%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-110.2134.2-180-62.8168.3000108.8C282 L284 V287 L291 P299 L301L275-C282 WeakPolarHBondContact CB-O 3.43Å; L275-C282 PolarHBondContact O-N 3.18Å; L275-L284 HydrophobicContact CD1-CB 4.18Å; L275-V287 HydrophobicContact CD1-CB 4.46Å; L275-V287 HydrophobicContact CD1-CG1 4.25Å; L275-V287 HydrophobicContact CD2-CG1 4.12Å; L275-L291 HydrophobicContact CD2-CD1 4.16Å; L275-P299 HydrophobicContact CD2-CB 4.46Å; L275-L301 HydrophobicContact CD2-CB 3.73Å; L275-L301 HydrophobicContact CD2-CD1 3.85Å; L275-L301 HydrophobicContact CD2-CG 4.03Å
276F81.1Confident73.8Confident5 Ų550.9 Ų50.92%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-128.8130.5-179.2-53.3-86.5000109.6S179 L182 L183 F274 R280 P281 Q300 L301 K302 V303S179-F276 WeakPolarHBondContact O-CE1 3.42Å; S179-F276 WeakPolarHBondContact O-CZ 3.39Å; L182-F276 HydrophobicContact CB-CZ 3.95Å; L182-F276 HydrophobicContact CD1-CZ 4.36Å; L183-F276 HydrophobicContact CD2-CB 4.47Å; L183-F276 HydrophobicContact CD2-CD1 3.43Å; L183-F276 VanDerWaalsContact CD2-CD1 3.43Å; L183-F276 HydrophobicContact CD2-CE1 3.73Å; L183-F276 HydrophobicContact CD2-CG 3.98Å; L183-F276 HydrophobicContact CG-CD1 4.07Å; L183-F276 HydrophobicContact CG-CE1 3.89Å; F274-F276 HydrophobicContact CB-CE2 3.65Å; F274-F276 HydrophobicContact CB-CZ 3.89Å; F276-R280 VanDerWaalsContact CA-O 3.27Å; F276-R280 WeakPolarHBondContact CA-O 3.36Å; F276-P281 HydrophobicContact CD1-CB 4.34Å; F276-P281 HydrophobicContact CD1-CG 4.16Å; F276-P281 HydrophobicContact CE1-CB 4.25Å; F276-P281 HydrophobicContact CE1-CG 3.98Å; F276-Q300 HydrophobicContact CD2-CG 4.31Å; F276-Q300 HydrophobicContact CE2-CG 3.77Å; F276-L301 PolarHBondContact N-O 3.16Å; F276-K302 WeakPolarHBondContact O-CA 3.35Å; F276-V303 PolarHBondContact O-N 2.83Å
277V76Confident74.1Confident2 Ų249.8 Ų49.81%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-116.3122.3168.7176.60000106.9N279 R280 C282 L284 V303 C307 I318 I320V277-N279 VanDerWaalsContact C-N 3.29Å; V277-N279 PolarHBondContact O-N 2.92Å; V277-R280 PolarHBondContact N-O 3.22Å; V277-R280 WeakPolarHBondContact O-CB 3.41Å; V277-R280 PolarHBondContact O-N 3.28Å; V277-C282 WeakPolarHBondContact CG2-SG 3.4Å; V277-L284 HydrophobicContact CG2-CD1 3.98Å; V277-V303 WeakPolarHBondContact CA-O 3.41Å; V277-V303 HydrophobicContact CG2-CB 4.37Å; V277-C307 HydrophobicContact CG1-CB 4.01Å; V277-I318 HydrophobicContact CB-CD1 3.82Å; V277-I318 HydrophobicContact CG1-CD1 4.28Å; V277-I318 HydrophobicContact CG1-CG2 4.35Å; V277-I318 HydrophobicContact CG2-CD1 4.44Å; V277-I320 HydrophobicContact CG2-CD1 3.8Å
278N71.9Confident74.3Confident68 Ų6847 Ų4736%0.36425%0.248SC..THydrogen-bonded Turntrans49.247.1-178.6-61.4-27.8000113.3R280 V303 A304 G305 C307N278-R280 PolarHBondContact O-N 2.93Å; N278-V303 PolarHBondContact N-O 2.81Å; N278-A304 WeakPolarHBondContact OD1-CA 3.47Å; N278-G305 PolarHBondContact ND2-O 3.27Å; N278-G305 PolarHBondContact OD1-N 3.23Å; N278-C307 PolarHBondContact ND2-SG 2.92Å
279N73.3Confident74.6Confident60 Ų6047.2 Ų47.232%0.32124%0.237SC..THydrogen-bonded Turntrans63.616-176.9-58.3-33.3000115.9L183 V277 K302L183-N279 WeakPolarHBondContact CD1-O 3.4Å; L183-N279 HydrophobicContact CD2-CB 4.09Å; V277-N279 VanDerWaalsContact C-N 3.29Å; V277-N279 PolarHBondContact O-N 2.92Å; N279-K302 WeakPolarHBondContact OD1-CE 3.43Å; N279-K302 PolarHBondContact OD1-NZ 2.74Å
280R72.7Confident74.5Confident25 Ų2544.1 Ų44.19%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-107.5127.4174.4-64.5-177.2-175.2-92.70.6110.4S86 F87 F276 V277 N278 C282S86-R280 PolarHBondContact O-NH2 3.06Å; F87-R280 HydrophobicContact CD1-CG 4.48Å; F87-R280 HydrophobicContact CE1-CG 4.24Å; F87-R280 PolarHBondContact O-NH1 2.89Å; F276-R280 VanDerWaalsContact CA-O 3.27Å; F276-R280 WeakPolarHBondContact CA-O 3.36Å; V277-R280 PolarHBondContact N-O 3.22Å; V277-R280 WeakPolarHBondContact O-CB 3.41Å; V277-R280 PolarHBondContact O-N 3.28Å; N278-R280 PolarHBondContact O-N 2.93Å; R280-C282 PolarHBondContact O-N 3.03Å
281P79.8Confident74.3Confident18 Ų1838.7 Ų38.712%0.11719%0.191CC..EExtended strand (participates in β ladder)trans-57.9126.8170.6-20.130.7000110.1Y180 F276Y180-P281 HydrophobicContact CD2-CG 4.34Å; Y180-P281 HydrophobicContact CE1-CG 4.28Å; Y180-P281 HydrophobicContact CE2-CG 4.06Å; F276-P281 HydrophobicContact CD1-CB 4.34Å; F276-P281 HydrophobicContact CD1-CG 4.16Å; F276-P281 HydrophobicContact CE1-CB 4.25Å; F276-P281 HydrophobicContact CE1-CG 3.98Å
282C74Confident74Confident14 Ų1437.9 Ų37.910%0.09519%0.19CC..EExtended strand (participates in β ladder)trans-140.5155.5-178.264.50000111.7L275 V277 R280 I318L275-C282 WeakPolarHBondContact CB-O 3.43Å; L275-C282 PolarHBondContact O-N 3.18Å; V277-C282 WeakPolarHBondContact CG2-SG 3.4Å; R280-C282 PolarHBondContact O-N 3.03Å; C282-I318 HydrophobicContact CB-CD1 3.66Å; C282-I318 HydrophobicContact CB-CG1 4.18Å
283E72.8Confident73.1Confident120 Ų12038.7 Ų38.756%0.56121%0.205SC*.  trans-107.6103.2173.4-167.6179.4169.300109.6R316E283-R316 PolarHBondContact N-O 2.96Å
284L71.8Confident71.9Confident5 Ų538.6 Ų38.63%0.02621%0.206CC..  trans-98105.2176.3-61.2174.7000109.5L275 V277 V287 S288 I320 L326L275-L284 HydrophobicContact CD1-CB 4.18Å; V277-L284 HydrophobicContact CG2-CD1 3.98Å; L284-V287 HydrophobicContact CB-CB 3.85Å; L284-V287 HydrophobicContact CB-CG2 3.91Å; L284-V287 HydrophobicContact CD1-CB 4.45Å; L284-V287 HydrophobicContact CD1-CG2 3.95Å; L284-V287 PolarHBondContact O-N 3.34Å; L284-S288 VanDerWaalsContact O-CB 3.29Å; L284-S288 WeakPolarHBondContact O-CB 3.48Å; L284-S288 PolarHBondContact O-N 3Å; L284-I320 HydrophobicContact CD1-CD1 3.57Å; L284-I320 HydrophobicContact CD2-CD1 3.64Å; L284-I320 HydrophobicContact CD2-CG1 4.24Å; L284-I320 HydrophobicContact CG-CD1 4.26Å; L284-L326 HydrophobicContact CD1-CD2 4.4Å
285K74Confident70.4Confident140 Ų14044.3 Ų44.361%0.60923%0.233SC*.Hα-helixtrans-64.9-42.3-175.4-69.9-179.8-177.31700112.5S288 N289K285-S288 PolarHBondContact O-N 3.43Å; K285-N289 WeakPolarHBondContact O-CB 3.21Å; K285-N289 PolarHBondContact O-N 2.94Å; K285-N289 PolarHBondContact O-ND2 3.29Å
286L70.1Confident68.9Low56 Ų5651 Ų5129%0.29326%0.257SS..Hα-helixtrans-63.8-47.3179-64.3-171.1000110.8S288 N289 A290 E323L286-S288 PolarHBondContact O-N 2.82Å; L286-N289 PolarHBondContact O-N 2.86Å; L286-A290 WeakPolarHBondContact O-CB 3.28Å; L286-A290 PolarHBondContact O-N 3.06Å; L286-E323 HydrophobicContact CB-CG 4.31Å; L286-E323 VanDerWaalsContact CB-OE1 3.28Å; L286-E323 WeakPolarHBondContact CB-OE1 3.29Å; L286-E323 HydrophobicContact CD1-CB 4.14Å; L286-E323 HydrophobicContact CD1-CG 3.68Å; L286-E323 WeakPolarHBondContact CD1-OE1 3.41Å; L286-E323 WeakPolarHBondContact CD1-OE2 3.26Å; L286-E323 HydrophobicContact CG-CG 4.34Å; L286-E323 WeakPolarHBondContact CG-OE1 3.45Å
287V70.7Confident67.7Low1 Ų151.3 Ų51.31%0.00626%0.258CS..Hα-helixtrans-62.3-45.3177-178.40000111.2L275 L284 N289 A290 L291 L301 L326 I330L275-V287 HydrophobicContact CD1-CB 4.46Å; L275-V287 HydrophobicContact CD1-CG1 4.25Å; L275-V287 HydrophobicContact CD2-CG1 4.12Å; L284-V287 HydrophobicContact CB-CB 3.85Å; L284-V287 HydrophobicContact CB-CG2 3.91Å; L284-V287 HydrophobicContact CD1-CB 4.45Å; L284-V287 HydrophobicContact CD1-CG2 3.95Å; L284-V287 PolarHBondContact O-N 3.34Å; V287-N289 VanDerWaalsContact C-N 3.29Å; V287-N289 PolarHBondContact O-N 3.4Å; V287-A290 PolarHBondContact O-N 3.15Å; V287-L291 HydrophobicContact CG1-CD1 3.73Å; V287-L291 HydrophobicContact CG1-CG 4.37Å; V287-L291 WeakPolarHBondContact O-CB 3.49Å; V287-L291 VanDerWaalsContact O-CD1 3.32Å; V287-L291 WeakPolarHBondContact O-CD1 3.21Å; V287-L291 WeakPolarHBondContact O-CG 3.45Å; V287-L291 PolarHBondContact O-N 3.1Å; V287-L301 HydrophobicContact CG1-CD1 4.29Å; V287-L326 HydrophobicContact CG2-CD2 4.19Å; V287-L326 HydrophobicContact CG2-CG 4.44Å; V287-I330 HydrophobicContact CB-CD1 4.41Å; V287-I330 HydrophobicContact CG1-CD1 3.53Å; V287-I330 HydrophobicContact CG1-CG2 4.45Å; V287-I330 HydrophobicContact CG2-CD1 3.95Å
288S70.6Confident66.7Low19 Ų1951.4 Ų51.413%0.13326%0.258CS..Hα-helixtrans-61.2-36.8176.1-177.60000112.4L284 K285 L286 S292L284-S288 VanDerWaalsContact O-CB 3.29Å; L284-S288 WeakPolarHBondContact O-CB 3.48Å; L284-S288 PolarHBondContact O-N 3Å; K285-S288 PolarHBondContact O-N 3.43Å; L286-S288 PolarHBondContact O-N 2.82Å; S288-S292 VanDerWaalsContact O-CB 3.24Å; S288-S292 WeakPolarHBondContact O-CB 3.36Å; S288-S292 PolarHBondContact O-N 2.87Å; S288-S292 PolarHBondContact O-OG 3.28Å
289N69.7Low65.9Low94 Ų9448.2 Ų48.250%0.50324%0.241SC..Hα-helixtrans-69.2-44175.6-71-22.9000111.6K285 L286 V287 L291 S292 S293K285-N289 WeakPolarHBondContact O-CB 3.21Å; K285-N289 PolarHBondContact O-N 2.94Å; K285-N289 PolarHBondContact O-ND2 3.29Å; L286-N289 PolarHBondContact O-N 2.86Å; V287-N289 VanDerWaalsContact C-N 3.29Å; V287-N289 PolarHBondContact O-N 3.4Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.19Å; N289-S292 PolarHBondContact O-N 3.46Å; N289-S292 VanDerWaalsContact O-N 3.17Å; N289-S293 PolarHBondContact O-N 2.81Å; N289-S293 PolarHBondContact O-OG 2.87Å
290A66Low65Low1 Ų145.6 Ų45.61%0.00823%0.227CC..Hα-helixtrans-63.5-36.2175.400000112.7L286 V287 S293 E327L286-A290 WeakPolarHBondContact O-CB 3.28Å; L286-A290 PolarHBondContact O-N 3.06Å; V287-A290 PolarHBondContact O-N 3.15Å; A290-S293 PolarHBondContact O-OG 3.35Å; A290-E327 HydrophobicContact CB-CG 3.71Å
291L67.1Low64.2Low1 Ų144.4 Ų44.41%0.00522%0.222CC..Hα-helixtrans-68.5-40.3172.1-74.3159.3000111.8L275 V287 N289 S293 L294 P299 L301 L334L275-L291 HydrophobicContact CD2-CD1 4.16Å; V287-L291 HydrophobicContact CG1-CD1 3.73Å; V287-L291 HydrophobicContact CG1-CG 4.37Å; V287-L291 WeakPolarHBondContact O-CB 3.49Å; V287-L291 VanDerWaalsContact O-CD1 3.32Å; V287-L291 WeakPolarHBondContact O-CD1 3.21Å; V287-L291 WeakPolarHBondContact O-CG 3.45Å; V287-L291 PolarHBondContact O-N 3.1Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.19Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-P299 HydrophobicContact CB-CG 4.44Å; L291-P299 HydrophobicContact CD1-CB 3.65Å; L291-P299 HydrophobicContact CD1-CG 3.33Å; L291-P299 HydrophobicContact CD2-CB 3.64Å; L291-P299 HydrophobicContact CD2-CG 3.8Å; L291-P299 HydrophobicContact CG-CB 4.26Å; L291-P299 HydrophobicContact CG-CG 4.04Å; L291-L301 HydrophobicContact CD1-CD1 4.29Å; L291-L301 HydrophobicContact CD2-CD1 4.41Å; L291-L334 HydrophobicContact CD2-CD1 3.51Å; L291-L334 HydrophobicContact CD2-CD2 4.24Å; L291-L334 HydrophobicContact CG-CD1 4.43Å
292S64.8Low63Low42 Ų4246.5 Ų46.529%0.29423%0.23SC..Hα-helixtrans-67.7-34179.7-62.40000111.9K270 S288 N289 L294 Q295K270-S292 VanDerWaalsContact CE-OG 3.3Å; K270-S292 WeakPolarHBondContact CE-OG 3.29Å; K270-S292 PolarHBondContact NZ-OG 3.14Å; K270-S292 VanDerWaalsContact NZ-OG 3.14Å; S288-S292 VanDerWaalsContact O-CB 3.24Å; S288-S292 WeakPolarHBondContact O-CB 3.36Å; S288-S292 PolarHBondContact O-N 2.87Å; S288-S292 PolarHBondContact O-OG 3.28Å; N289-S292 PolarHBondContact O-N 3.46Å; N289-S292 VanDerWaalsContact O-N 3.17Å; S292-L294 VanDerWaalsContact C-N 3.26Å; S292-L294 PolarHBondContact O-N 3Å; S292-Q295 PolarHBondContact O-N 2.81Å
293S59.4Low62.1Low78 Ų7846.1 Ų46.155%0.54523%0.227SC..Hα-helixtrans-69.2-23.6178.758.60000113.2N289 A290 L291N289-S293 PolarHBondContact O-N 2.81Å; N289-S293 PolarHBondContact O-OG 2.87Å; A290-S293 PolarHBondContact O-OG 3.35Å; L291-S293 VanDerWaalsContact C-N 3.33Å
294L57.7Low61.1Low38 Ų3841.8 Ų41.820%0.19921%0.212CC..THydrogen-bonded Turntrans-88.7-1.3179.4-65.2171.5000114.3L291 S292 Y297 R331 L334 L335 F338L291-L294 PolarHBondContact O-N 2.93Å; S292-L294 VanDerWaalsContact C-N 3.26Å; S292-L294 PolarHBondContact O-N 3Å; L294-Y297 HydrophobicContact CB-CD2 4.44Å; L294-Y297 HydrophobicContact CB-CE2 3.79Å; L294-Y297 WeakPolarHBondContact O-CE2 3.43Å; L294-Y297 VanDerWaalsContact O-CZ 3.24Å; L294-Y297 PolarHBondContact O-OH 2.84Å; L294-R331 HydrophobicContact CD1-CG 4.35Å; L294-L334 HydrophobicContact CD1-CB 3.74Å; L294-L334 HydrophobicContact CD1-CD1 3.65Å; L294-L334 HydrophobicContact CD1-CG 4.35Å; L294-L335 HydrophobicContact CD2-CD2 4.01Å; L294-F338 HydrophobicContact CB-CE2 4.43Å
295Q51.9Low60.2Low127 Ų12742.1 Ų42.159%0.59322%0.216SC*.  trans84.5115.1178.7-56.5-175.5-11.900118.3S292 Y297S292-Q295 PolarHBondContact O-N 2.81Å; Q295-Y297 VanDerWaalsContact O-CD1 3.31Å; Q295-Y297 WeakPolarHBondContact O-CD1 3.48Å; Q295-Y297 WeakPolarHBondContact O-CD2 3.45Å; Q295-Y297 WeakPolarHBondContact O-CE1 3.36Å; Q295-Y297 WeakPolarHBondContact O-CE2 3.44Å; Q295-Y297 VanDerWaalsContact O-CG 3.27Å; Q295-Y297 PolarHBondContact O-N 2.74Å; Q295-Y297 PolarHBondContact O-OH 3.27Å
296R52.6Low59Low156 Ų15642.1 Ų42.159%0.58922%0.216SC*.SBendtrans58.834.4150.2-61.5-167.8-177.2168.74.4119G266 R267G266-R296 CarbonylContact C-O 3.44Å; G266-R296 VanDerWaalsContact C-O 3.26Å; G266-R296 WeakPolarHBondContact CA-O 3.33Å; R267-R296 PolarHBondContact N-O 3.03Å; R267-R296 WeakPolarHBondContact O-CA 3.37Å; R267-R296 WeakPolarHBondContact O-CB 3.25Å; R267-R296 WeakPolarHBondContact O-CG 3.45Å
297Y56Low58.3Low13 Ų1340.8 Ų40.85%0.05121%0.212CC..  trans-100.2155.4-177.2-51.3-61.7000114.8S261 Q273 L294 Q295 P299 F338S261-Y297 VanDerWaalsContact O-CD1 3.29Å; S261-Y297 WeakPolarHBondContact O-CD1 3.46Å; Q273-Y297 PolarHBondContact NE2-O 3.28Å; Q273-Y297 VanDerWaalsContact NE2-O 3.14Å; L294-Y297 HydrophobicContact CB-CD2 4.44Å; L294-Y297 HydrophobicContact CB-CE2 3.79Å; L294-Y297 WeakPolarHBondContact O-CE2 3.43Å; L294-Y297 VanDerWaalsContact O-CZ 3.24Å; L294-Y297 PolarHBondContact O-OH 2.84Å; Q295-Y297 VanDerWaalsContact O-CD1 3.31Å; Q295-Y297 WeakPolarHBondContact O-CD1 3.48Å; Q295-Y297 WeakPolarHBondContact O-CD2 3.45Å; Q295-Y297 WeakPolarHBondContact O-CE1 3.36Å; Q295-Y297 WeakPolarHBondContact O-CE2 3.44Å; Q295-Y297 VanDerWaalsContact O-CG 3.27Å; Q295-Y297 PolarHBondContact O-N 2.74Å; Q295-Y297 PolarHBondContact O-OH 3.27Å; Y297-P299 VanDerWaalsContact C-CD 3.46Å; Y297-P299 WeakPolarHBondContact O-CD 3.43Å; Y297-F338 HydrophobicContact CD1-CE1 4.01Å; Y297-F338 AromaticContact CD1-CZ 3.74Å; Y297-F338 HydrophobicContact CD1-CZ 3.74Å; Y297-F338 HydrophobicContact CD2-CE2 4.06Å; Y297-F338 AromaticContact CD2-CZ 3.6Å; Y297-F338 HydrophobicContact CD2-CZ 3.6Å; Y297-F338 AromaticContact CE1-CE1 3.6Å; Y297-F338 HydrophobicContact CE1-CE1 3.6Å; Y297-F338 HydrophobicContact CE1-CE2 4.2Å; Y297-F338 AromaticContact CE1-CZ 3.42Å; Y297-F338 HydrophobicContact CE1-CZ 3.42Å; Y297-F338 VanDerWaalsContact CE1-CZ 3.42Å; Y297-F338 HydrophobicContact CE2-CD2 4.43Å; Y297-F338 HydrophobicContact CE2-CE1 4.2Å; Y297-F338 AromaticContact CE2-CE2 3.34Å; Y297-F338 HydrophobicContact CE2-CE2 3.34Å; Y297-F338 AromaticContact CE2-CZ 3.2Å; Y297-F338 HydrophobicContact CE2-CZ 3.2Å; Y297-F338 AromaticContact CG-CZ 3.86Å; Y297-F338 HydrophobicContact CG-CZ 3.86Å; Y297-F338 AromaticContact CZ-CE1 3.73Å; Y297-F338 AromaticContact CZ-CE2 3.47Å; Y297-F338 VanDerWaalsContact CZ-CE2 3.47Å; Y297-F338 AromaticContact CZ-CZ 3.17Å
298F53.5Low57.4Low4 Ų445 Ų452%0.01823%0.234CC..  trans-88.791157.7-179.9-88.8000109.1F219 F223 L227 Y259 V260 S261 R272 F274 Q300F219-F298 HydrophobicContact CD2-CE2 4.19Å; F219-F298 HydrophobicContact CD2-CZ 4.09Å; F219-F298 AromaticContact CE2-CE2 3.66Å; F219-F298 HydrophobicContact CE2-CE2 3.66Å; F219-F298 AromaticContact CE2-CZ 3.6Å; F219-F298 HydrophobicContact CE2-CZ 3.6Å; F219-F298 AromaticContact CZ-CE2 3.97Å; F219-F298 HydrophobicContact CZ-CE2 3.97Å; F219-F298 HydrophobicContact CZ-CZ 4.31Å; F223-F298 HydrophobicContact CE1-CD1 4.24Å; F223-F298 AromaticContact CE1-CD2 3.61Å; F223-F298 HydrophobicContact CE1-CD2 3.61Å; F223-F298 HydrophobicContact CE1-CE1 4.22Å; F223-F298 AromaticContact CE1-CE2 3.58Å; F223-F298 HydrophobicContact CE1-CE2 3.58Å; F223-F298 AromaticContact CE1-CG 3.99Å; F223-F298 HydrophobicContact CE1-CG 3.99Å; F223-F298 AromaticContact CE1-CZ 3.94Å; F223-F298 HydrophobicContact CE1-CZ 3.94Å; F223-F298 HydrophobicContact CE2-CD2 4.46Å; F223-F298 HydrophobicContact CZ-CB 3.95Å; F223-F298 HydrophobicContact CZ-CD1 4.3Å; F223-F298 AromaticContact CZ-CD2 3.26Å; F223-F298 HydrophobicContact CZ-CD2 3.26Å; F223-F298 AromaticContact CZ-CE2 3.73Å; F223-F298 HydrophobicContact CZ-CE2 3.73Å; F223-F298 AromaticContact CZ-CG 3.63Å; F223-F298 HydrophobicContact CZ-CG 3.63Å; F223-F298 HydrophobicContact CZ-CZ 4.45Å; L227-F298 HydrophobicContact CD1-CD1 4.22Å; L227-F298 HydrophobicContact CD1-CE1 4.26Å; L227-F298 HydrophobicContact CD2-CB 4Å; L227-F298 HydrophobicContact CD2-CD1 3.83Å; L227-F298 HydrophobicContact CD2-CG 4.12Å; Y259-F298 CarbonylContact C-O 3.59Å; V260-F298 WeakPolarHBondContact CA-O 3.44Å; S261-F298 VanDerWaalsContact OG-CB 3.24Å; S261-F298 WeakPolarHBondContact OG-CB 3.39Å; S261-F298 PolarHBondContact OG-N 3.32Å; S261-F298 VanDerWaalsContact OG-N 3.09Å; R272-F298 HydrophobicContact CB-CD2 3.39Å; R272-F298 HydrophobicContact CB-CE2 3.61Å; R272-F298 HydrophobicContact CG-CD2 4.41Å; R272-F298 HydrophobicContact CG-CE2 4.36Å; R272-F298 WeakPolarHBondContact O-CD2 3.46Å; R272-F298 WeakPolarHBondContact O-CE2 3.48Å; R272-F298 WeakPolarHBondContact O-CG 3.31Å; F274-F298 HydrophobicContact CD2-CD2 4.45Å; F274-F298 AromaticContact CD2-CE2 3.57Å; F274-F298 HydrophobicContact CD2-CE2 3.57Å; F274-F298 AromaticContact CD2-CZ 3.62Å; F274-F298 HydrophobicContact CD2-CZ 3.62Å; F274-F298 AromaticContact CE2-CE2 3.59Å; F274-F298 HydrophobicContact CE2-CE2 3.59Å; F274-F298 HydrophobicContact CE2-CZ 4.01Å; F298-Q300 HydrophobicContact CD1-CB 4.27Å; F298-Q300 HydrophobicContact CE1-CB 3.71Å; F298-Q300 PolarHBondContact O-N 2.77Å
299P55.7Low56.6Low0 Ų045.2 Ų45.20%023%0.234CC..  trans-80113.6166.325.9-20.2000107.8Y259 Q273 F274 L275 L291 Y297 L301Y259-P299 WeakPolarHBondContact O-CA 3.26Å; Q273-P299 HydrophobicContact CB-CG 4.07Å; Q273-P299 HydrophobicContact CG-CG 4.21Å; F274-P299 CarbonylContact C-O 3.45Å; F274-P299 PolarHBondContact N-O 2.78Å; L275-P299 HydrophobicContact CD2-CB 4.46Å; L291-P299 HydrophobicContact CB-CG 4.44Å; L291-P299 HydrophobicContact CD1-CB 3.65Å; L291-P299 HydrophobicContact CD1-CG 3.33Å; L291-P299 HydrophobicContact CD2-CB 3.64Å; L291-P299 HydrophobicContact CD2-CG 3.8Å; L291-P299 HydrophobicContact CG-CB 4.26Å; L291-P299 HydrophobicContact CG-CG 4.04Å; Y297-P299 VanDerWaalsContact C-CD 3.46Å; Y297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-L301 HydrophobicContact CB-CD1 4.06Å; P299-L301 HydrophobicContact CB-CG 3.93Å
300Q54Low55.7Low5 Ų544 Ų442%0.02323%0.228CC..EExtended strand (participates in β ladder)trans-94.3102.8149.2-163.6-172.513.500106.5L182 V211 G258 Y259 F274 F276 F298L182-Q300 PolarHBondContact O-NE2 2.82Å; V211-Q300 VanDerWaalsContact CG1-CD 3.43Å; G258-Q300 CarbonylContact C-O 3.59Å; G258-Q300 WeakPolarHBondContact CA-O 3.49Å; Y259-Q300 PolarHBondContact N-O 2.83Å; Y259-Q300 PolarHBondContact O-N 3.02Å; F274-Q300 VanDerWaalsContact O-CA 3.24Å; F274-Q300 WeakPolarHBondContact O-CA 3.32Å; F276-Q300 HydrophobicContact CD2-CG 4.31Å; F276-Q300 HydrophobicContact CE2-CG 3.77Å; F298-Q300 HydrophobicContact CD1-CB 4.27Å; F298-Q300 HydrophobicContact CE1-CB 3.71Å; F298-Q300 PolarHBondContact O-N 2.77Å
301L55.5Low54.9Low0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-118.1121178.5-59173.6000109.7L230 I256 F274 L275 F276 V287 L291 P299 I330L230-L301 HydrophobicContact CD2-CD2 3.32Å; I256-L301 HydrophobicContact CG2-CD2 4.13Å; F274-L301 PolarHBondContact O-N 3.31Å; F274-L301 VanDerWaalsContact O-N 3.12Å; L275-L301 HydrophobicContact CD2-CB 3.73Å; L275-L301 HydrophobicContact CD2-CD1 3.85Å; L275-L301 HydrophobicContact CD2-CG 4.03Å; F276-L301 PolarHBondContact N-O 3.16Å; V287-L301 HydrophobicContact CG1-CD1 4.29Å; L291-L301 HydrophobicContact CD1-CD1 4.29Å; L291-L301 HydrophobicContact CD2-CD1 4.41Å; P299-L301 HydrophobicContact CB-CD1 4.06Å; P299-L301 HydrophobicContact CB-CG 3.93Å; L301-I330 HydrophobicContact CD1-CD1 4.06Å; L301-I330 HydrophobicContact CD1-CG1 4.42Å; L301-I330 HydrophobicContact CD1-CG2 3.94Å
302K55.1Low54.1Low62 Ų6247.7 Ų47.727%0.2725%0.252SS..EExtended strand (participates in β ladder)trans-100.4109.4168.7179.3170.8168.7168.40107.9I256 N257 F276 N279I256-K302 WeakPolarHBondContact CA-O 3.45Å; N257-K302 PolarHBondContact N-O 3.36Å; N257-K302 PolarHBondContact O-N 3.28Å; F276-K302 WeakPolarHBondContact O-CA 3.35Å; N279-K302 WeakPolarHBondContact OD1-CE 3.43Å; N279-K302 PolarHBondContact OD1-NZ 2.74Å
303V55.2Low53.3Low6 Ų649 Ų494%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-99.9123.4175-176.70000108.2I256 F276 V277 N278 L326I256-V303 HydrophobicContact CG1-CG2 4.4Å; I256-V303 HydrophobicContact CG2-CG2 4.47Å; F276-V303 PolarHBondContact O-N 2.83Å; V277-V303 WeakPolarHBondContact CA-O 3.41Å; V277-V303 HydrophobicContact CG2-CB 4.37Å; N278-V303 PolarHBondContact N-O 2.81Å; V303-L326 HydrophobicContact CG1-CD1 3.79Å; V303-L326 HydrophobicContact CG1-CD2 4.28Å; V303-L326 HydrophobicContact CG2-CD1 4.08Å; V303-L326 HydrophobicContact CG2-CD2 4.5Å
304A52.8Low52.9Low30 Ų3047.7 Ų47.725%0.24825%0.246CC..EExtended strand (participates in β ladder)trans-102.1120167.900000109.1N254 K255 N278N254-A304 HydrophobicContact CB-CB 4.38Å; N254-A304 WeakPolarHBondContact CB-O 3.46Å; N254-A304 PolarHBondContact N-O 2.69Å; K255-A304 PolarHBondContact O-N 2.82Å; N278-A304 WeakPolarHBondContact OD1-CA 3.47Å
305G51Low53Low11 Ų1146.6 Ų46.611%0.11324%0.24CC..EExtended strand (participates in β ladder)trans-175.2170.7-177.800000113.4Y252 N278 C307Y252-G305 WeakPolarHBondContact O-CA 3.47Å; N278-G305 PolarHBondContact ND2-O 3.27Å; N278-G305 PolarHBondContact OD1-N 3.23Å; G305-C307 PolarHBondContact O-N 3.13Å
306F49.7Very low53.1Low140 Ų14043.3 Ų43.361%0.61422%0.222SC*.  trans-69.6117.8176.7-68.6-85.8000110.1Y252Y252-F306 HydrophobicContact CD1-CD2 4.26Å
307C55.5Low53.4Low29 Ų2938.5 Ų38.520%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-141.2143.6-178.267.50000111.7V277 N278 G305 V309 I318 I320V277-C307 HydrophobicContact CG1-CB 4.01Å; N278-C307 PolarHBondContact ND2-SG 2.92Å; G305-C307 PolarHBondContact O-N 3.13Å; C307-V309 PolarHBondContact O-N 3.08Å; C307-I318 HydrophobicContact CB-CG2 3.45Å; C307-I318 VanDerWaalsContact CB-CG2 3.45Å; C307-I320 HydrophobicContact CB-CG1 4.43Å
308D51.2Low53.7Low88 Ų8838.2 Ų38.247%0.47121%0.21SC..EExtended strand (participates in β ladder)trans-83.6112167.4-1752.8000108.7N310 C311 I318 L319D308-N310 VanDerWaalsContact C-N 3.31Å; D308-N310 WeakPolarHBondContact OD1-CB 3.3Å; D308-N310 PolarHBondContact OD1-N 3.37Å; D308-C311 VanDerWaalsContact CG-SG 3.6Å; D308-C311 PolarHBondContact O-SG 2.67Å; D308-I318 WeakPolarHBondContact O-CG2 3.49Å; D308-L319 PolarHBondContact N-O 3.48Å; D308-L319 PolarHBondContact O-N 3.05Å
309V54.7Low54.2Low24 Ų2443.3 Ų43.315%0.14524%0.236CC..  trans-85.6-9.3-178.7-171.60000110.9C307C307-V309 PolarHBondContact O-N 3.08Å
310N51.6Low54.7Low69 Ų6944.3 Ų44.337%0.36924%0.241SC..  trans-101.227-167.9-156.135.6000114.2R90 D308R90-N310 PolarHBondContact NE-OD1 3.2Å; R90-N310 PolarHBondContact NH2-OD1 3.23Å; D308-N310 VanDerWaalsContact C-N 3.31Å; D308-N310 WeakPolarHBondContact OD1-CB 3.3Å; D308-N310 PolarHBondContact OD1-N 3.37Å
311C48.7Very low55.3Low41 Ų4146.3 Ų46.328%0.27726%0.259SS..SBendtrans-85.1-25.5-170.1-500000114.7D308 L319D308-C311 VanDerWaalsContact CG-SG 3.6Å; D308-C311 PolarHBondContact O-SG 2.67Å; C311-L319 HydrophobicContact CB-CD1 4.2Å; C311-L319 HydrophobicContact CB-CG 4.09Å; C311-L319 WeakPolarHBondContact SG-CG 3.46Å
312T50.6Low56.1Low38 Ų3848.3 Ų48.323%0.23327%0.268CS..SBendtrans-138.7151.1179.739.60000112D314 K315 T317T312-D314 VanDerWaalsContact CB-OD1 3.26Å; T312-D314 WeakPolarHBondContact CB-OD1 3.37Å; T312-D314 PolarHBondContact O-N 2.85Å; T312-D314 PolarHBondContact OG1-OD1 3.23Å; T312-K315 PolarHBondContact O-N 3.34Å; T312-T317 WeakPolarHBondContact CB-OG1 3.4Å; T312-T317 WeakPolarHBondContact CG2-OG1 3.31Å; T312-T317 PolarHBondContact OG1-OG1 3.48Å
313P46.3Very low57.2Low71 Ų7147.9 Ų47.946%0.46127%0.267SS..THydrogen-bonded Turntrans-57.1-34.9177.4-23.633.1000113.2K315P313-K315 VanDerWaalsContact C-N 3.29Å; P313-K315 PolarHBondContact O-N 3.42Å
314D52.7Low58.5Low49 Ų4950.6 Ų50.626%0.26228%0.281SS..THydrogen-bonded Turntrans-82.4-3.4178.670.6-5.4000113.6K23 T312 R316K23-D314 PolarHBondContact NZ-O 3.4Å; T312-D314 VanDerWaalsContact CB-OD1 3.26Å; T312-D314 WeakPolarHBondContact CB-OD1 3.37Å; T312-D314 PolarHBondContact O-N 2.85Å; T312-D314 PolarHBondContact OG1-OD1 3.23Å; D314-R316 HydrophobicContact CB-CG 4.18Å; D314-R316 PolarHBondContact O-N 2.98Å; D314-R316 PolarHBondContact OD1-N 3.23Å; D314-R316 VanDerWaalsContact OD1-N 3.11Å; D314-R316 WeakPolarHBondContact OD2-CD 3.26Å
315K57.8Low59.9Low16 Ų1649.3 Ų49.37%0.0727%0.27CS..  trans4922.6-176.1-47.2169.5-170.6155.60114E27 F87 T312 P313E27-K315 IonicContact OE2-NZ 2.83Å; F87-K315 PolarHBondContact O-NZ 3.42Å; T312-K315 PolarHBondContact O-N 3.34Å; P313-K315 VanDerWaalsContact C-N 3.29Å; P313-K315 PolarHBondContact O-N 3.42Å
316R55.7Low61.4Low57 Ų5748.8 Ų48.822%0.21526%0.264CS..  trans-84.6-29.8-177.2-68.9-173.4-175.3-146.10112.5S19 D20 E283 D314S19-R316 PolarHBondContact OG-NH2 3.42Å; D20-R316 IonicContact OD1-CZ 3.42Å; D20-R316 VanDerWaalsContact OD1-CZ 3.28Å; D20-R316 IonicContact OD1-NE 3.96Å; D20-R316 PolarHBondContact OD1-NE 3.03Å; D20-R316 IonicContact OD1-NH2 2.66Å; D20-R316 PolarHBondContact OD1-NH2 3.5Å; E283-R316 PolarHBondContact N-O 2.96Å; D314-R316 HydrophobicContact CB-CG 4.18Å; D314-R316 PolarHBondContact O-N 2.98Å; D314-R316 PolarHBondContact OD1-N 3.23Å; D314-R316 VanDerWaalsContact OD1-N 3.11Å; D314-R316 WeakPolarHBondContact OD2-CD 3.26Å
317T58.4Low63Low55 Ų5543.4 Ų43.434%0.33724%0.241SC..  trans-98.2115.617559.50000108.8T312T312-T317 WeakPolarHBondContact CB-OG1 3.4Å; T312-T317 WeakPolarHBondContact CG2-OG1 3.31Å; T312-T317 PolarHBondContact OG1-OG1 3.48Å
318I62.9Low64.4Low8 Ų842 Ų424%0.04123%0.232CC..  trans-105.2127.2175.4-64174.9000106.3V277 C282 C307 D308 I320V277-I318 HydrophobicContact CB-CD1 3.82Å; V277-I318 HydrophobicContact CG1-CD1 4.28Å; V277-I318 HydrophobicContact CG1-CG2 4.35Å; V277-I318 HydrophobicContact CG2-CD1 4.44Å; C282-I318 HydrophobicContact CB-CD1 3.66Å; C282-I318 HydrophobicContact CB-CG1 4.18Å; C307-I318 HydrophobicContact CB-CG2 3.45Å; C307-I318 VanDerWaalsContact CB-CG2 3.45Å; D308-I318 WeakPolarHBondContact O-CG2 3.49Å; I318-I320 HydrophobicContact CG2-CG1 4.07Å; I318-I320 PolarHBondContact O-N 3.28Å
319L63.4Low66Low111 Ų11137.9 Ų37.958%0.58121%0.21SC*.EExtended strand (participates in β ladder)trans-82.7112.2170.3-67.4175.3000107.6D308 C311D308-L319 PolarHBondContact N-O 3.48Å; D308-L319 PolarHBondContact O-N 3.05Å; C311-L319 HydrophobicContact CB-CD1 4.2Å; C311-L319 HydrophobicContact CB-CG 4.09Å; C311-L319 WeakPolarHBondContact SG-CG 3.46Å
320I65.6Low67.4Low20 Ų2036.8 Ų36.810%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-94.2127.9177.7-56.5178.3000107.8V277 L284 C307 I318 K322 L326V277-I320 HydrophobicContact CG2-CD1 3.8Å; L284-I320 HydrophobicContact CD1-CD1 3.57Å; L284-I320 HydrophobicContact CD2-CD1 3.64Å; L284-I320 HydrophobicContact CD2-CG1 4.24Å; L284-I320 HydrophobicContact CG-CD1 4.26Å; C307-I320 HydrophobicContact CB-CG1 4.43Å; I318-I320 HydrophobicContact CG2-CG1 4.07Å; I318-I320 PolarHBondContact O-N 3.28Å; I320-K322 PolarHBondContact O-N 2.91Å; I320-L326 HydrophobicContact CD1-CD2 3.57Å; I320-L326 HydrophobicContact CG2-CD2 4.26Å
321A66.9Low68.9Low48 Ų4835.2 Ų35.240%0.39719%0.192SC..THydrogen-bonded Turntrans-61.2133.517000000109.4Y252Y252-A321 HydrophobicContact CD1-CB 4.43Å
322K73.4Confident70.7Confident42 Ų4234.4 Ų34.418%0.18318%0.184CC..THydrogen-bonded Turntrans60.847.4-178.6-45.7-172.6-170.2-174.30114.3D247 D249 Y252 I320 N324 L325 L326D247-K322 HydrophobicContact CB-CD 4.33Å; D247-K322 VanDerWaalsContact CG-CE 3.5Å; D247-K322 IonicContact OD1-NZ 2.65Å; D247-K322 PolarHBondContact OD1-NZ 2.79Å; D247-K322 WeakPolarHBondContact OD2-CE 3.41Å; D247-K322 IonicContact OD2-NZ 3.47Å; D247-K322 PolarHBondContact OD2-NZ 3.07Å; D249-K322 VanDerWaalsContact CB-NZ 3.32Å; D249-K322 PolarHBondContact O-NZ 2.87Å; D249-K322 VanDerWaalsContact O-NZ 3.08Å; D249-K322 IonicContact OD2-NZ 3.6Å; D249-K322 PolarHBondContact OD2-NZ 2.91Å; Y252-K322 HydrophobicContact CD2-CD 4.16Å; Y252-K322 VanDerWaalsContact CE2-NZ 3.25Å; Y252-K322 HydrophobicContact CG-CD 4.23Å; I320-K322 PolarHBondContact O-N 2.91Å; K322-N324 VanDerWaalsContact C-N 3.26Å; K322-N324 PolarHBondContact O-N 3.23Å; K322-L325 HydrophobicContact CB-CB 4Å; K322-L325 HydrophobicContact CB-CD2 4.45Å; K322-L325 HydrophobicContact CD-CD2 4.07Å; K322-L325 WeakPolarHBondContact O-CB 3.25Å; K322-L325 PolarHBondContact O-N 3.19Å; K322-L326 PolarHBondContact O-N 2.92Å
323E76.2Confident72.4Confident53 Ų5332.6 Ų32.625%0.24817%0.173CC..Hα-helixtrans-52.8-38.5179.6-156.8-177.8172.800113.7L286 L325 L326 E327L286-E323 HydrophobicContact CB-CG 4.31Å; L286-E323 VanDerWaalsContact CB-OE1 3.28Å; L286-E323 WeakPolarHBondContact CB-OE1 3.29Å; L286-E323 HydrophobicContact CD1-CB 4.14Å; L286-E323 HydrophobicContact CD1-CG 3.68Å; L286-E323 WeakPolarHBondContact CD1-OE1 3.41Å; L286-E323 WeakPolarHBondContact CD1-OE2 3.26Å; L286-E323 HydrophobicContact CG-CG 4.34Å; L286-E323 WeakPolarHBondContact CG-OE1 3.45Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.4Å; E323-L326 WeakPolarHBondContact O-CB 3.35Å; E323-L326 PolarHBondContact O-N 3.16Å; E323-E327 PolarHBondContact O-N 3.49Å
324N82.9Confident74.1Confident63 Ų6329.2 Ų29.234%0.33715%0.151SC..Hα-helixtrans-63.2-36.2176.4-68-4.7000112.8C243 K244 V245 K322 E327 A328C243-N324 WeakPolarHBondContact O-CB 3.26Å; C243-N324 PolarHBondContact O-ND2 3.46Å; K244-N324 PolarHBondContact O-ND2 3.04Å; V245-N324 HydrophobicContact CG2-CB 4.06Å; V245-N324 WeakPolarHBondContact CG2-O 3Å; K322-N324 VanDerWaalsContact C-N 3.26Å; K322-N324 PolarHBondContact O-N 3.23Å; N324-E327 PolarHBondContact O-N 2.92Å; N324-A328 PolarHBondContact O-N 2.94Å
325L83.7Confident75.5Confident2 Ų229.8 Ų29.81%0.0115%0.154CC..Hα-helixtrans-68.1-41.9176.6178.364000110P235 L240 V245 D249 L250 I253 K322 E323 E327 A328 I329P235-L325 HydrophobicContact CG-CD1 4.41Å; L240-L325 HydrophobicContact CD2-CD1 4.01Å; V245-L325 HydrophobicContact CG1-CB 4.03Å; V245-L325 HydrophobicContact CG1-CD1 3.99Å; D249-L325 WeakPolarHBondContact O-CD2 3.42Å; L250-L325 HydrophobicContact CD2-CD1 4.27Å; I253-L325 HydrophobicContact CD1-CB 4.39Å; I253-L325 HydrophobicContact CD1-CD2 4.23Å; I253-L325 HydrophobicContact CD1-CG 4.07Å; K322-L325 HydrophobicContact CB-CB 4Å; K322-L325 HydrophobicContact CB-CD2 4.45Å; K322-L325 HydrophobicContact CD-CD2 4.07Å; K322-L325 WeakPolarHBondContact O-CB 3.25Å; K322-L325 PolarHBondContact O-N 3.19Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.4Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-E327 PolarHBondContact O-N 3.25Å; L325-A328 PolarHBondContact O-N 3.03Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CD1-CG1 4.49Å; L325-I329 HydrophobicContact CG-CD1 4.08Å; L325-I329 VanDerWaalsContact O-CG1 3.3Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.3Å
326L81.5Confident76.7Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-59.7-44.7173.6179.963.5000111.6I253 I256 L284 V287 V303 I320 K322 E323 A328 I329 I330I253-L326 HydrophobicContact CD1-CB 3.7Å; I253-L326 HydrophobicContact CD1-CD1 4.07Å; I253-L326 HydrophobicContact CG2-CD1 4.09Å; I256-L326 HydrophobicContact CD1-CD1 3.62Å; I256-L326 HydrophobicContact CG1-CD1 4.39Å; L284-L326 HydrophobicContact CD1-CD2 4.4Å; V287-L326 HydrophobicContact CG2-CD2 4.19Å; V287-L326 HydrophobicContact CG2-CG 4.44Å; V303-L326 HydrophobicContact CG1-CD1 3.79Å; V303-L326 HydrophobicContact CG1-CD2 4.28Å; V303-L326 HydrophobicContact CG2-CD1 4.08Å; V303-L326 HydrophobicContact CG2-CD2 4.5Å; I320-L326 HydrophobicContact CD1-CD2 3.57Å; I320-L326 HydrophobicContact CG2-CD2 4.26Å; K322-L326 PolarHBondContact O-N 2.92Å; E323-L326 WeakPolarHBondContact O-CB 3.35Å; E323-L326 PolarHBondContact O-N 3.16Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.41Å; L326-I329 PolarHBondContact O-N 2.64Å; L326-I330 HydrophobicContact CD1-CD1 3.82Å; L326-I330 HydrophobicContact CD1-CG1 4.21Å; L326-I330 HydrophobicContact CG-CD1 3.83Å; L326-I330 WeakPolarHBondContact O-CB 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.28Å; L326-I330 WeakPolarHBondContact O-CG1 3.26Å; L326-I330 PolarHBondContact O-N 3.2Å
327E82.7Confident77.8Confident27 Ų2727.8 Ų27.813%0.12615%0.151CC..Hα-helixtrans-58.1-43.8175.1-171.4-177.7161.800111.6A290 E323 N324 L325 I330 R331A290-E327 HydrophobicContact CB-CG 3.71Å; E323-E327 PolarHBondContact O-N 3.49Å; N324-E327 PolarHBondContact O-N 2.92Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-E327 PolarHBondContact O-N 3.25Å; E327-I330 PolarHBondContact O-N 2.8Å; E327-R331 VanDerWaalsContact O-CB 3.28Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.17Å; E327-R331 IonicContact OE1-CZ 2.7Å; E327-R331 IonicContact OE1-NH2 3.52Å; E327-R331 PolarHBondContact OE1-NH2 3.09Å
328A85.2Confident78.6Confident0 Ų026.3 Ų26.30%014%0.14CC..Hα-helixtrans-64-47.3178.500000112.2P235 L240 C243 V245 N324 L325 L326 I330 R331 Q332P235-A328 HydrophobicContact CB-CB 3.92Å; P235-A328 HydrophobicContact CG-CB 4.47Å; L240-A328 HydrophobicContact CD2-CB 4.16Å; C243-A328 HydrophobicContact CB-CB 3.89Å; C243-A328 WeakPolarHBondContact SG-CA 3.4Å; C243-A328 PolarHBondContact SG-N 2.91Å; C243-A328 VanDerWaalsContact SG-N 3.41Å; V245-A328 HydrophobicContact CG2-CB 4.02Å; N324-A328 PolarHBondContact O-N 2.94Å; L325-A328 PolarHBondContact O-N 3.03Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.41Å; A328-I330 PolarHBondContact O-N 2.79Å; A328-R331 PolarHBondContact O-N 3.38Å; A328-Q332 WeakPolarHBondContact O-CB 3.35Å; A328-Q332 PolarHBondContact O-N 3.43Å
329I85.6Confident79.1Confident1 Ų131.5 Ų31.51%0.00516%0.164CC..Hα-helixtrans-60-47.4177.7-64.7163.3000110.1Q232 P235 L250 I253 I256 L325 L326 Q332 S333Q232-I329 HydrophobicContact CG-CG2 3.77Å; P235-I329 HydrophobicContact CG-CG1 4.13Å; L250-I329 HydrophobicContact CD2-CD1 3.9Å; L250-I329 HydrophobicContact CD2-CG1 4.29Å; I253-I329 HydrophobicContact CB-CD1 4.16Å; I253-I329 HydrophobicContact CD1-CD1 3.6Å; I253-I329 HydrophobicContact CG1-CD1 4.47Å; I253-I329 HydrophobicContact CG2-CD1 4.09Å; I256-I329 HydrophobicContact CD1-CB 4.25Å; I256-I329 HydrophobicContact CD1-CG2 3.61Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CD1-CG1 4.49Å; L325-I329 HydrophobicContact CG-CD1 4.08Å; L325-I329 VanDerWaalsContact O-CG1 3.3Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.3Å; L326-I329 PolarHBondContact O-N 2.64Å; I329-Q332 PolarHBondContact O-N 2.94Å; I329-S333 VanDerWaalsContact O-CB 3.28Å; I329-S333 WeakPolarHBondContact O-CB 3.45Å; I329-S333 PolarHBondContact O-N 3.11Å; I329-S333 PolarHBondContact O-OG 2.95Å
330I83.3Confident78.8Confident2 Ų232.3 Ų32.31%0.0117%0.165CC..Hα-helixtrans-63.6-45.8-179.6-69.2172.1000110.4I256 V287 L301 L326 E327 A328 Q332 S333 L334I256-I330 HydrophobicContact CD1-CD1 4.37Å; I256-I330 HydrophobicContact CD1-CG1 3.67Å; V287-I330 HydrophobicContact CB-CD1 4.41Å; V287-I330 HydrophobicContact CG1-CD1 3.53Å; V287-I330 HydrophobicContact CG1-CG2 4.45Å; V287-I330 HydrophobicContact CG2-CD1 3.95Å; L301-I330 HydrophobicContact CD1-CD1 4.06Å; L301-I330 HydrophobicContact CD1-CG1 4.42Å; L301-I330 HydrophobicContact CD1-CG2 3.94Å; L326-I330 HydrophobicContact CD1-CD1 3.82Å; L326-I330 HydrophobicContact CD1-CG1 4.21Å; L326-I330 HydrophobicContact CG-CD1 3.83Å; L326-I330 WeakPolarHBondContact O-CB 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.28Å; L326-I330 WeakPolarHBondContact O-CG1 3.26Å; L326-I330 PolarHBondContact O-N 3.2Å; E327-I330 PolarHBondContact O-N 2.8Å; A328-I330 PolarHBondContact O-N 2.79Å; I330-Q332 PolarHBondContact O-N 3.16Å; I330-S333 PolarHBondContact O-N 3.25Å; I330-L334 HydrophobicContact CG2-CD1 3.66Å; I330-L334 HydrophobicContact CG2-CG 4.29Å; I330-L334 WeakPolarHBondContact O-CB 3.18Å; I330-L334 WeakPolarHBondContact O-CD1 3.11Å; I330-L334 WeakPolarHBondContact O-CG 3.31Å; I330-L334 PolarHBondContact O-N 3.23Å
331R84.2Confident78.2Confident36 Ų3633 Ų3314%0.13617%0.17CC..Hα-helixtrans-58.3-48.8177.9-177.4175.9-62.9138.412.8111.4C243 L294 E327 A328 L334 L335C243-R331 PolarHBondContact SG-NH1 3.14Å; L294-R331 HydrophobicContact CD1-CG 4.35Å; E327-R331 VanDerWaalsContact O-CB 3.28Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.17Å; E327-R331 IonicContact OE1-CZ 2.7Å; E327-R331 IonicContact OE1-NH2 3.52Å; E327-R331 PolarHBondContact OE1-NH2 3.09Å; A328-R331 PolarHBondContact O-N 3.38Å; R331-L334 PolarHBondContact O-N 2.8Å; R331-L335 HydrophobicContact CG-CD1 4.24Å; R331-L335 WeakPolarHBondContact O-CG 3.46Å; R331-L335 PolarHBondContact O-N 2.89Å
332Q86.4Confident76.9Confident24 Ų2434.3 Ų34.311%0.11217%0.173CC..Hα-helixtrans-65.9-40.5-179.9-172.459.430.400112.2V233 P234 P235 T236 T239 A328 I329 I330 L334 L335 S336V233-Q332 HydrophobicContact CB-CG 4.49Å; V233-Q332 HydrophobicContact CG1-CG 4.14Å; P234-Q332 WeakPolarHBondContact O-CG 3.45Å; P235-Q332 HydrophobicContact CB-CB 4.46Å; T236-Q332 HydrophobicContact CG2-CG 4.43Å; T236-Q332 PolarHBondContact OG1-OE1 2.91Å; T239-Q332 HydrophobicContact CG2-CB 4.39Å; A328-Q332 WeakPolarHBondContact O-CB 3.35Å; A328-Q332 PolarHBondContact O-N 3.43Å; I329-Q332 PolarHBondContact O-N 2.94Å; I330-Q332 PolarHBondContact O-N 3.16Å; Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 2.84Å; Q332-L335 PolarHBondContact O-N 2.85Å; Q332-S336 PolarHBondContact O-N 3.23Å
333S86.6Confident75.2Confident0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-61.7-39.4176.5-56.90000111.7V231 Q232 V233 I329 I330 A337V231-S333 WeakPolarHBondContact O-CB 3.3Å; Q232-S333 WeakPolarHBondContact CA-OG 3.31Å; V233-S333 PolarHBondContact N-OG 3.19Å; V233-S333 PolarHBondContact O-OG 3.4Å; I329-S333 VanDerWaalsContact O-CB 3.28Å; I329-S333 WeakPolarHBondContact O-CB 3.45Å; I329-S333 PolarHBondContact O-N 3.11Å; I329-S333 PolarHBondContact O-OG 2.95Å; I330-S333 PolarHBondContact O-N 3.25Å; S333-A337 WeakPolarHBondContact O-CB 3.18Å; S333-A337 PolarHBondContact O-N 2.84Å
334L81.6Confident73.2Confident0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-67.2-47175.9-72.1164.9000111.9L230 V260 L291 L294 I330 R331 Q332 S336 A337 F338L230-L334 HydrophobicContact CD1-CD2 3.99Å; L230-L334 HydrophobicContact CD1-CG 4.29Å; V260-L334 HydrophobicContact CB-CD2 4.27Å; V260-L334 HydrophobicContact CG1-CD2 3.63Å; V260-L334 HydrophobicContact CG2-CD2 4.45Å; L291-L334 HydrophobicContact CD2-CD1 3.51Å; L291-L334 HydrophobicContact CD2-CD2 4.24Å; L291-L334 HydrophobicContact CG-CD1 4.43Å; L294-L334 HydrophobicContact CD1-CB 3.74Å; L294-L334 HydrophobicContact CD1-CD1 3.65Å; L294-L334 HydrophobicContact CD1-CG 4.35Å; I330-L334 HydrophobicContact CG2-CD1 3.66Å; I330-L334 HydrophobicContact CG2-CG 4.29Å; I330-L334 WeakPolarHBondContact O-CB 3.18Å; I330-L334 WeakPolarHBondContact O-CD1 3.11Å; I330-L334 WeakPolarHBondContact O-CG 3.31Å; I330-L334 PolarHBondContact O-N 3.23Å; R331-L334 PolarHBondContact O-N 2.8Å; Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 2.84Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 2.72Å; L334-A337 PolarHBondContact O-N 3.35Å; L334-F338 HydrophobicContact CB-CD2 4.46Å; L334-F338 HydrophobicContact CB-CE2 3.92Å; L334-F338 HydrophobicContact CD2-CE2 4.25Å; L334-F338 HydrophobicContact CD2-CZ 4.04Å; L334-F338 WeakPolarHBondContact O-CD2 3.33Å; L334-F338 VanDerWaalsContact O-CG 3.25Å; L334-F338 WeakPolarHBondContact O-CG 3.05Å; L334-F338 PolarHBondContact O-N 2.92Å
335L82.5Confident70.7Confident60 Ų6042 Ų4231%0.31423%0.233SC..Hα-helixtrans-55.1-47.2176.4-71.5171.6000110.7T239 L294 R331 Q332 A337 F338 E339T239-L335 HydrophobicContact CG2-CD1 4.37Å; L294-L335 HydrophobicContact CD2-CD2 4.01Å; R331-L335 HydrophobicContact CG-CD1 4.24Å; R331-L335 WeakPolarHBondContact O-CG 3.46Å; R331-L335 PolarHBondContact O-N 2.89Å; Q332-L335 PolarHBondContact O-N 2.85Å; L335-A337 PolarHBondContact O-N 3.45Å; L335-F338 PolarHBondContact O-N 3.39Å; L335-E339 WeakPolarHBondContact O-CG 3.49Å; L335-E339 PolarHBondContact O-N 3.23Å
336S83Confident68.1Low22 Ų2246.2 Ų46.215%0.15426%0.263CS..Hα-helixtrans-62.3-41.8177.8-172.10000113.1Q332 L334 F338 E339 Q340Q332-S336 PolarHBondContact O-N 3.23Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 2.72Å; S336-F338 VanDerWaalsContact C-N 3.27Å; S336-F338 PolarHBondContact O-N 3.47Å; S336-E339 PolarHBondContact O-N 3.46Å; S336-Q340 WeakPolarHBondContact O-CG 3.32Å; S336-Q340 PolarHBondContact O-N 3.25Å
337A78.4Confident65.4Low9 Ų951.8 Ų51.87%0.07430%0.301CS..Hα-helixtrans-63.2-34.1176.600000112.5L230 S333 L334 L335 T341L230-A337 HydrophobicContact CD1-CB 4.23Å; S333-A337 WeakPolarHBondContact O-CB 3.18Å; S333-A337 PolarHBondContact O-N 2.84Å; L334-A337 PolarHBondContact O-N 3.35Å; L335-A337 PolarHBondContact O-N 3.45Å; A337-T341 PolarHBondContact O-OG1 2.87Å; A337-T341 VanDerWaalsContact O-OG1 3.09Å
338F75.4Confident62.7Low24 Ų2455.5 Ų55.511%0.10533%0.329CS..Hα-helixtrans-79.4-35.3179.1-59.7-36.9000113.1V263 L294 Y297 L334 L335 S336 Q340 T341 T342V263-F338 HydrophobicContact CG2-CB 3.8Å; V263-F338 HydrophobicContact CG2-CD1 3.36Å; V263-F338 HydrophobicContact CG2-CE1 4.16Å; V263-F338 HydrophobicContact CG2-CG 3.76Å; L294-F338 HydrophobicContact CB-CE2 4.43Å; Y297-F338 HydrophobicContact CD1-CE1 4.01Å; Y297-F338 AromaticContact CD1-CZ 3.74Å; Y297-F338 HydrophobicContact CD1-CZ 3.74Å; Y297-F338 HydrophobicContact CD2-CE2 4.06Å; Y297-F338 AromaticContact CD2-CZ 3.6Å; Y297-F338 HydrophobicContact CD2-CZ 3.6Å; Y297-F338 AromaticContact CE1-CE1 3.6Å; Y297-F338 HydrophobicContact CE1-CE1 3.6Å; Y297-F338 HydrophobicContact CE1-CE2 4.2Å; Y297-F338 AromaticContact CE1-CZ 3.42Å; Y297-F338 HydrophobicContact CE1-CZ 3.42Å; Y297-F338 VanDerWaalsContact CE1-CZ 3.42Å; Y297-F338 HydrophobicContact CE2-CD2 4.43Å; Y297-F338 HydrophobicContact CE2-CE1 4.2Å; Y297-F338 AromaticContact CE2-CE2 3.34Å; Y297-F338 HydrophobicContact CE2-CE2 3.34Å; Y297-F338 AromaticContact CE2-CZ 3.2Å; Y297-F338 HydrophobicContact CE2-CZ 3.2Å; Y297-F338 AromaticContact CG-CZ 3.86Å; Y297-F338 HydrophobicContact CG-CZ 3.86Å; Y297-F338 AromaticContact CZ-CE1 3.73Å; Y297-F338 AromaticContact CZ-CE2 3.47Å; Y297-F338 VanDerWaalsContact CZ-CE2 3.47Å; Y297-F338 AromaticContact CZ-CZ 3.17Å; L334-F338 HydrophobicContact CB-CD2 4.46Å; L334-F338 HydrophobicContact CB-CE2 3.92Å; L334-F338 HydrophobicContact CD2-CE2 4.25Å; L334-F338 HydrophobicContact CD2-CZ 4.04Å; L334-F338 WeakPolarHBondContact O-CD2 3.33Å; L334-F338 VanDerWaalsContact O-CG 3.25Å; L334-F338 WeakPolarHBondContact O-CG 3.05Å; L334-F338 PolarHBondContact O-N 2.92Å; L335-F338 PolarHBondContact O-N 3.39Å; S336-F338 VanDerWaalsContact C-N 3.27Å; S336-F338 PolarHBondContact O-N 3.47Å; F338-Q340 VanDerWaalsContact C-N 3.34Å; F338-Q340 PolarHBondContact O-N 3.45Å; F338-T341 PolarHBondContact O-N 3.15Å; F338-T341 VanDerWaalsContact O-N 3.15Å; F338-T342 PolarHBondContact O-N 3.33Å
339E72.4Confident59.8Low117 Ų11765.8 Ų65.855%0.54737%0.374SS..Hα-helixtrans-60.8-41.7172.9-75.2172.4-175.800111.9L335 S336 T341 T342 V343L335-E339 WeakPolarHBondContact O-CG 3.49Å; L335-E339 PolarHBondContact O-N 3.23Å; S336-E339 PolarHBondContact O-N 3.46Å; E339-T341 PolarHBondContact O-N 3.1Å; E339-T342 PolarHBondContact O-N 3.26Å; E339-T342 PolarHBondContact O-OG1 3.22Å; E339-V343 WeakPolarHBondContact O-CG2 3.3Å; E339-V343 PolarHBondContact O-N 3.21Å
340Q57.8Low57.1Low129 Ų12970.6 Ų70.660%0.60341%0.408SS*.Hα-helixtrans-62.9-26.3177.3-69.91789.600112.8S336 F338S336-Q340 WeakPolarHBondContact O-CG 3.32Å; S336-Q340 PolarHBondContact O-N 3.25Å; F338-Q340 VanDerWaalsContact C-N 3.34Å; F338-Q340 PolarHBondContact O-N 3.45Å
341T52.1Low54.4Low35 Ų3578.1 Ų78.122%0.21545%0.448CS..Hα-helixtrans-81.2-30.2179.6-52.20000111.9A337 F338 E339A337-T341 PolarHBondContact O-OG1 2.87Å; A337-T341 VanDerWaalsContact O-OG1 3.09Å; F338-T341 PolarHBondContact O-N 3.15Å; F338-T341 VanDerWaalsContact O-N 3.15Å; E339-T341 PolarHBondContact O-N 3.1Å
342T39.4Very low51.8Low75 Ų7584.8 Ų84.846%0.4649%0.485SS..Hα-helixtrans-77.5-29.9-178.252.20000113.3F338 E339 V344 S345F338-T342 PolarHBondContact O-N 3.33Å; E339-T342 PolarHBondContact O-N 3.26Å; E339-T342 PolarHBondContact O-OG1 3.22Å; T342-V344 PolarHBondContact O-N 2.8Å; T342-S345 PolarHBondContact O-N 3.03Å
343V37.5Very low49.2Very low99 Ų9988 Ų8860%0.652%0.516SS*.G310 helixtrans-67.4-19-176.4179.90000113.5E339 S345E339-V343 WeakPolarHBondContact O-CG2 3.3Å; E339-V343 PolarHBondContact O-N 3.21Å; V343-S345 VanDerWaalsContact C-N 3.33Å; V343-S345 PolarHBondContact O-N 3.26Å
344V35Very low46.3Very low122 Ų12295.5 Ų95.574%0.73956%0.556SS**G310 helixtrans-79.1-15.2177.6-1750000112.7T342T342-V344 PolarHBondContact O-N 2.8Å
345S31Very low43.8Very low98 Ų98101.2 Ų101.269%0.68560%0.596SS**G310 helixtrans-96.2-3.8-175.4-61.40000114.9T342 V343T342-S345 PolarHBondContact O-N 3.03Å; V343-S345 VanDerWaalsContact C-N 3.33Å; V343-S345 PolarHBondContact O-N 3.26Å
346S28.4Very low41.1Very low90 Ų90105.7 Ų105.763%0.62962%0.62SS**  trans-112.314.3-175.157.80000115.1S348S346-S348 PolarHBondContact O-N 2.89Å
347C24.7Very low38.5Very low118 Ų118111.5 Ų111.580%0.79766%0.655SS**  trans-79.3106.7168.5-76.60000110.7
348S27.2Very low35.9Very low104 Ų104119.7 Ų119.773%0.72769%0.691SS**  trans-29.5125175.1-36.80000115.3S346 S350S346-S348 PolarHBondContact O-N 2.89Å; S348-S350 PolarHBondContact O-N 2.82Å
349K24.1Very low33.5Very low217 Ų217129.1 Ų129.194%0.94373%0.728SS**  trans-66.190.2148.2-79.8-177.6176.4179.10107.7
350S29.1Very low31.4Very low101 Ų101127.2 Ų127.271%0.70673%0.727SS**  trans-85.6126.715644.70000108.1S348 L352S348-S350 PolarHBondContact O-N 2.82Å; S350-L352 PolarHBondContact O-N 3.43Å
351N25.9Very low30Very low161 Ų161129 Ų12986%0.86174%0.736SS**  trans-50.4122.6176.7-66.9-42.9000111.2
352L29.6Very low28.8Very low175 Ų175133.1 Ų133.192%0.91676%0.761SS**  trans-133.5123.9149.9-121.979.1000108S350S350-L352 PolarHBondContact O-N 3.43Å
353A31.7Very low28Very low91 Ų91136 Ų13675%0.75278%0.783SS**  trans-71.7152.6-173.500000113
354N25.2Very low27.5Very low159 Ų159140.2 Ų140.285%0.8580%0.796SS**  trans37.2113149.2-70-3.5000119.7
355S30.3Very low27Very low119 Ų119140.3 Ų140.383%0.83280%0.799SS**  -163.8125.3121.645.40000110
356D24.6Very low26.8Very low155 Ų155145.9 Ų145.983%0.82981%0.811SS**  trans-51.4138.2-179.8-61.2-70.4000114.8
357V29.6Very low26.6Very low144 Ų144152.3 Ų152.387%0.87382%0.821SS**  trans-150.2114.8136.3-175.30000109.2
358Q22.5Very low26.7Very low180 Ų180152.5 Ų152.584%0.84182%0.824SS**  trans-74.6137.7167.7-72.1173.3-31.100110.7
359Y26.2Very low26.6Very low222 Ų222157.8 Ų157.887%0.87183%0.828SS**  trans-150.8123.6134.6-128.2-92.7000112
360S26.7Very low26.9Very low77 Ų77156.4 Ų156.454%0.53883%0.83SS.*  trans-41.6161.8161.443.20000114.8
361Q30Very low26.7Very low167 Ų167156.5 Ų156.578%0.7884%0.837SS**  cis-172.3142.418.4-122.5162.823.100109.4
362T25.5Very low26.7Very low122 Ų122152 Ų15275%0.74883%0.828SS**  trans56119.4140.556.40000122.7
363C24Very low26.5Very low136 Ų136154.2 Ų154.292%0.91982%0.824SS**  -160.8123.1112.5-129.40000111.8
364Q26.6Very low26.2Very low186 Ų186157.3 Ų157.387%0.86982%0.821SS**PPolyproline II helixtrans-83.5154.9-177.2-69.2-169.3-8.400113.6
365P25.1Very low26.2Very low124 Ų124158.7 Ų158.781%0.80582%0.82SS**PPolyproline II helixtrans-93.6140.7176.235.7-30000112.9
366K26.4Very low25.9Very low216 Ų216158.7 Ų158.794%0.93982%0.82SS**PPolyproline II helixtrans-80.9118.9170.7-77.3-177.4176.8176.90111.1
367R22.9Very low25.9Very low225 Ų225154.8 Ų154.885%0.84982%0.817SS**PPolyproline II helixtrans-78.5136.5165.1-95.7175.1162.3173.4-5.6110.5
368S28.6Very low25.7Very low121 Ų121153.9 Ų153.985%0.84682%0.815SS**  trans-113.1116.7152.855.90000109.3
369R24.5Very low25.6Very low215 Ų215152.7 Ų152.781%0.81182%0.815SS**  trans-78.5135.8175.2-67.3173.6176168-1.6109.7
370L29Very low25.7Very low188 Ų188149.8 Ų149.898%0.98481%0.813SS**  trans-124.4130141.4-110.194.8000108
371A25.3Very low25.5Very low103 Ų103154.8 Ų154.885%0.85183%0.828SS**  trans-108158.5-168.100000111.5
372G27Very low25.2Very low67 Ų67154.4 Ų154.469%0.69183%0.829SS**  trans165.981165.100000108.5
373R24Very low25.1Very low221 Ų221157.8 Ų157.883%0.83484%0.836SS**  49.8114.1100.6-75.2-175.8168.6171.3-4110.6
374F25.7Very low25Very low157 Ų157160.3 Ų160.369%0.68984%0.835SS**  -175.6152.474-109.4-76.4000113.2
375F26.3Very low25Very low187 Ų187157.4 Ų157.482%0.8284%0.835SS**  trans83101.4156.5-73-68.2000122.1
376S23.4Very low24.9Very low120 Ų120156.5 Ų156.584%0.83984%0.838SS**  trans-77149.7156.7147.70000111.6
377G24.5Very low24.8Very low73 Ų73152.1 Ų152.175%0.75383%0.834SS**  trans110.6107.9143.700000116.2
378C25.2Very low24.8Very low125 Ų125146.8 Ų146.885%0.84583%0.832SS**  -173.2123.2112.8-144.80000110.5
379D21.8Very low24.7Very low154 Ų154150.5 Ų150.582%0.82484%0.836SS**  trans-64.6141163.9-56.6-66.5000110.4
380I27.4Very low24.6Very low162 Ų162145.6 Ų145.683%0.83183%0.834SS**  trans-142.2128.4156.1-59-176000109.8
381E23.1Very low24.6Very low182 Ų182142.3 Ų142.385%0.8583%0.827SS**  trans-70.6154-178.3-62.9169146.200113.2
382I23.1Very low24.5Very low158 Ų158142 Ų14281%0.8183%0.825SS**  trans-103.1114.1174.9-62171.5000108
383E23.1Very low24.4Very low194 Ų194143.8 Ų143.891%0.90783%0.833SS**  trans-101.1130.2163-84.6-170.615400110.7
384Q22.3Very low24.5Very low188 Ų188138.8 Ų138.888%0.87983%0.832SS**  trans-95.3133.5170.3-72.9178.2-16.700109.4
385S26Very low24.4Very low126 Ų126136.8 Ų136.888%0.88184%0.837SS**  trans-131.9119.2161.556.80000109.8
386A22.4Very low24.4Very low105 Ų105137.4 Ų137.487%0.86884%0.843SS**  trans-88.3143.8174.200000110.8
387S26.1Very low24.3Very low123 Ų123139.6 Ų139.686%0.8685%0.845SS**  trans-154.9116.3150.757.60000109.6
388S23Very low24.3Very low113 Ų113141.3 Ų141.379%0.7985%0.845SS**  trans-74.6145.7171.146.30000111.8
389E25.5Very low24.2Very low200 Ų200144 Ų14494%0.93585%0.846SS**  trans-160.5150.1141.8-111.4170.6-153.400110.9
390S23Very low24.2Very low112 Ų112142.5 Ų142.578%0.78384%0.842SS**  trans-129.5142.3-153.852.70000112.1
391S27.7Very low24Very low118 Ų118141.5 Ų141.583%0.82584%0.844SS**  trans167.4113.6147.650.90000108.7
392A25Very low23.9Very low98 Ų98140.3 Ų140.381%0.8184%0.843SS**  88.8126.162.800000114.6
393A24.9Very low23.9Very low103 Ų103142.2 Ų142.285%0.85185%0.849SS**  trans71.8142.6162.100000117.2
394S25.7Very low23.8Very low117 Ų117138.9 Ų138.982%0.81884%0.841SS**  cis-165.5154.71340.80000110.7
395S23.6Very low23.8Very low115 Ų115136.3 Ų136.380%0.80484%0.842SS**  trans-59.1153.7176.3-35.70000115.8
396Q25.9Very low23.6Very low200 Ų200138.3 Ų138.394%0.93584%0.838SS**  trans-165.2134.6134.1-105.617322.900112.2
397N21.3Very low23.6Very low166 Ų166141.6 Ų141.689%0.88884%0.84SS**  trans-77.1151.5175.6-76-31.4000111.8
398S25.1Very low23.4Very low109 Ų109139.4 Ų139.476%0.76284%0.837SS**  trans-170.9111137.556.40000113.2
399E23.5Very low23.5Very low181 Ų181139.2 Ų139.285%0.84684%0.842SS**  53.6108.7125.7-67.3176.1173.600122.6
400T20.3Very low23.6Very low122 Ų122132.7 Ų132.775%0.74883%0.829SS**  31.7124.4128.940.90000121.9
401T22.9Very low23.6Very low142 Ų142134.8 Ų134.887%0.87183%0.831SS**  -148.1131.3123.446.50000111.2
402N21Very low23.8Very low156 Ų156134 Ų13483%0.83482%0.821SS**  trans-83.2129.6171.2-81.4-40.4000109.3
403E23Very low24.1Very low198 Ų198135.9 Ų135.993%0.92582%0.817SS**  trans-129.2125.7153.3-88.3-168159.900110.4
404V21.5Very low24.8Very low125 Ų125132.5 Ų132.576%0.75879%0.785SS**  trans-83.4124.5179.1171.60000108.3
405C22.1Very low25.7Very low133 Ų133130.9 Ų130.990%0.89977%0.768SS**  trans-142.5116.4157.7-103.20000110.2
406Q21.5Very low26.9Very low168 Ų168127.6 Ų127.679%0.78574%0.74SS**  trans-71.1151174.6-67.4171.8-16.900110.8
407L23.5Very low27.9Very low175 Ų175124.3 Ų124.392%0.91673%0.726SS**  trans135.6118.5140.1-70158.1000113.4
408G22.3Very low29.5Very low77 Ų77118.8 Ų118.879%0.79469%0.694SS**  trans103.4101.7146.800000118.4
409A25.3Very low31Very low108 Ų108117 Ų11789%0.89369%0.693SS**SBendtrans59.996.4151.700000119.5
410G25.8Very low32.2Very low64 Ų64114.6 Ų114.666%0.6670%0.696SS**  trans89.442.7134.500000118.8T412G410-T412 PolarHBondContact O-N 2.91Å
411N24.8Very low34Very low155 Ų155113.1 Ų113.183%0.82968%0.679SS**  trans-92.969.4160.4-84.1-15.4000110.8I413N411-I413 PolarHBondContact O-N 3.26Å
412T30.1Very low35.7Very low101 Ų101110.5 Ų110.562%0.6266%0.659SS**  trans-80.4110163.3-47.70000107.8G410 T414G410-T412 PolarHBondContact O-N 2.91Å; T412-T414 PolarHBondContact O-N 3.04Å; T412-T414 PolarHBondContact O-OG1 3.47Å
413I32.2Very low37.8Very low139 Ų139103.3 Ų103.371%0.71362%0.62SS**  trans-51.9105.1169.3-64.1168000107.1N411 N415N411-I413 PolarHBondContact O-N 3.26Å; I413-N415 PolarHBondContact O-N 2.94Å
414T39Very low39.6Very low31 Ų31101.7 Ų101.719%0.1961%0.606CS.*  trans-93.580.4-178.618.90000107.3T412 I416 R425 P554T412-T414 PolarHBondContact O-N 3.04Å; T412-T414 PolarHBondContact O-OG1 3.47Å; T414-I416 PolarHBondContact O-N 2.95Å; T414-R425 PolarHBondContact OG1-NE 3.41Å; T414-R425 PolarHBondContact OG1-NH2 3.41Å; T414-R425 VanDerWaalsContact OG1-NH2 3.09Å; T414-P554 HydrophobicContact CG2-CB 3.8Å
415N44.4Very low41.5Very low84 Ų84100.7 Ų100.745%0.44959%0.588SS.*  trans-72.2110.9164.6-77.6-12.6000106.9I413 I422I413-N415 PolarHBondContact O-N 2.94Å; N415-I422 HydrophobicContact CB-CG2 3.51Å; N415-I422 VanDerWaalsContact CG-CG2 3.42Å
416I50.6Low43.6Very low45 Ų4597.6 Ų97.623%0.23157%0.568CS.*EExtended strand (participates in β ladder)trans-96113174.9-52.8176000107.2T414 Y418 F423 F428T414-I416 PolarHBondContact O-N 2.95Å; I416-Y418 HydrophobicContact CB-CE2 4.05Å; I416-Y418 HydrophobicContact CG2-CD2 3.9Å; I416-Y418 HydrophobicContact CG2-CE1 4.09Å; I416-Y418 HydrophobicContact CG2-CE2 3.29Å; I416-F423 PolarHBondContact N-O 2.67Å; I416-F423 VanDerWaalsContact N-O 3.07Å; I416-F423 PolarHBondContact O-N 3.11Å; I416-F428 HydrophobicContact CD1-CE2 4.28Å; I416-F428 HydrophobicContact CD1-CZ 4.1Å
417M45.3Very low45.9Very low131 Ų13190.3 Ų90.365%0.64554%0.536SS*.EExtended strand (participates in β ladder)trans-78.8123.9171.6-91.5-170.5-175.500109.9K421 I422M417-K421 WeakPolarHBondContact CA-O 3.41Å; M417-I422 HydrophobicContact CE-CD1 4.2Å; M417-I422 HydrophobicContact CE-CG1 4.1Å; M417-I422 HydrophobicContact CG-CG1 3.97Å
418Y54.7Low48.1Very low50 Ų5082.5 Ų82.520%0.19649%0.494CS..EExtended strand (participates in β ladder)trans-120.4106163.9-67-68.9000107.8I416 S420 K421 F423 F451 V560 H562I416-Y418 HydrophobicContact CB-CE2 4.05Å; I416-Y418 HydrophobicContact CG2-CD2 3.9Å; I416-Y418 HydrophobicContact CG2-CE1 4.09Å; I416-Y418 HydrophobicContact CG2-CE2 3.29Å; Y418-S420 PolarHBondContact O-N 2.99Å; Y418-K421 PolarHBondContact N-O 2.97Å; Y418-K421 PolarHBondContact O-N 3.48Å; Y418-F423 AromaticContact CD2-CD2 3.74Å; Y418-F423 HydrophobicContact CD2-CD2 3.74Å; Y418-F423 HydrophobicContact CD2-CE2 4.23Å; Y418-F423 HydrophobicContact CD2-CG 4.37Å; Y418-F451 AromaticContact CD2-CE1 3.9Å; Y418-F451 HydrophobicContact CD2-CE1 3.9Å; Y418-F451 HydrophobicContact CE2-CE1 4.22Å; Y418-F451 HydrophobicContact CG-CE1 4.37Å; Y418-V560 PolarHBondContact OH-O 2.99Å; Y418-V560 VanDerWaalsContact OH-O 3.09Å; Y418-H562 HydrophobicContact CD1-CB 3.97Å; Y418-H562 HydrophobicContact CG-CB 4.06Å
419G56.6Low50.3Low73 Ų7383.3 Ų83.375%0.75349%0.493SS*.THydrogen-bonded Turntrans60.5-126.6-167.200000111.1
420S49.8Very low52.7Low129 Ų12984.1 Ų84.190%0.90248%0.479SS*.THydrogen-bonded Turntrans-86.7-4.2-177.9-300000114.5Y418Y418-S420 PolarHBondContact O-N 2.99Å
421K58.1Low55.3Low91 Ų9181.9 Ų81.940%0.39645%0.451SS..EExtended strand (participates in β ladder)trans-106.4135.1-172.7-72.4-175.3-179.4178.50111.8M417 Y418 F423 D449M417-K421 WeakPolarHBondContact CA-O 3.41Å; Y418-K421 PolarHBondContact N-O 2.97Å; Y418-K421 PolarHBondContact O-N 3.48Å; K421-F423 HydrophobicContact CB-CD2 4.41Å; K421-F423 HydrophobicContact CB-CE2 3.82Å; K421-D449 IonicContact NZ-OD2 3.28Å; K421-D449 PolarHBondContact NZ-OD2 2.95Å
422I58.8Low58.3Low88 Ų8878.5 Ų78.545%0.45143%0.433SS..EExtended strand (participates in β ladder)trans-93116.8173.3-64.3170.7000108.7N415 M417N415-I422 HydrophobicContact CB-CG2 3.51Å; N415-I422 VanDerWaalsContact CG-CG2 3.42Å; M417-I422 HydrophobicContact CE-CD1 4.2Å; M417-I422 HydrophobicContact CE-CG1 4.1Å; M417-I422 HydrophobicContact CG-CG1 3.97Å
423F64.5Low61.1Low5 Ų575.9 Ų75.92%0.02242%0.415CS..EExtended strand (participates in β ladder)trans-93130.3172.5-73.7-94.3000110.3I416 Y418 K421 M431 F446 F451I416-F423 PolarHBondContact N-O 2.67Å; I416-F423 VanDerWaalsContact N-O 3.07Å; I416-F423 PolarHBondContact O-N 3.11Å; Y418-F423 AromaticContact CD2-CD2 3.74Å; Y418-F423 HydrophobicContact CD2-CD2 3.74Å; Y418-F423 HydrophobicContact CD2-CE2 4.23Å; Y418-F423 HydrophobicContact CD2-CG 4.37Å; K421-F423 HydrophobicContact CB-CD2 4.41Å; K421-F423 HydrophobicContact CB-CE2 3.82Å; F423-M431 HydrophobicContact CD1-CE 4.42Å; F423-F446 HydrophobicContact CD1-CD1 4.28Å; F423-F446 HydrophobicContact CD1-CE1 4.47Å; F423-F446 HydrophobicContact CE1-CB 4.33Å; F423-F446 AromaticContact CE1-CD1 3.38Å; F423-F446 HydrophobicContact CE1-CD1 3.38Å; F423-F446 AromaticContact CE1-CE1 3.86Å; F423-F446 HydrophobicContact CE1-CE1 3.86Å; F423-F446 HydrophobicContact CE1-CG 4.02Å; F423-F446 HydrophobicContact CZ-CD1 4.13Å; F423-F451 HydrophobicContact CD1-CZ 4.36Å; F423-F451 HydrophobicContact CE1-CE2 4.03Å; F423-F451 AromaticContact CE1-CZ 3.62Å; F423-F451 HydrophobicContact CE1-CZ 3.62Å; F423-F451 HydrophobicContact CE2-CE1 4.46Å; F423-F451 AromaticContact CE2-CZ 3.83Å; F423-F451 HydrophobicContact CE2-CZ 3.83Å; F423-F451 HydrophobicContact CZ-CE1 4.35Å; F423-F451 HydrophobicContact CZ-CE2 4.03Å; F423-F451 AromaticContact CZ-CZ 3.36Å; F423-F451 HydrophobicContact CZ-CZ 3.36Å
424R62.1Low63.8Low164 Ų16473.7 Ų73.762%0.61941%0.408SS*.PPolyproline II helixtrans-94.8159.8172.8-66.8-178179.11760.8109.4S426 S427R424-S426 PolarHBondContact O-N 3.26Å; R424-S426 VanDerWaalsContact O-N 3.17Å; R424-S427 PolarHBondContact N-OG 3.01Å; R424-S427 WeakPolarHBondContact O-CB 3.48Å; R424-S427 PolarHBondContact O-N 2.76Å; R424-S427 PolarHBondContact O-OG 3.28Å
425R61.1Low66.3Low104 Ų10473.3 Ų73.339%0.39241%0.411SS..Hα-helixtrans-52.9-36.3172.9-72.5-171.9-173.3166.82.5113T414 S427 F428 N552 P554T414-R425 PolarHBondContact OG1-NE 3.41Å; T414-R425 PolarHBondContact OG1-NH2 3.41Å; T414-R425 VanDerWaalsContact OG1-NH2 3.09Å; R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 PolarHBondContact O-N 2.87Å; R425-F428 PolarHBondContact O-N 3.25Å; R425-N552 PolarHBondContact O-OD1 3.16Å; R425-P554 VanDerWaalsContact NH2-CB 3.28Å
426S65.9Low68.5Low68 Ų6871.7 Ų71.748%0.47640%0.4SS..Hα-helixtrans-64.9-31.4176.654.60000112.8R424 F428 A429R424-S426 PolarHBondContact O-N 3.26Å; R424-S426 VanDerWaalsContact O-N 3.17Å; S426-F428 PolarHBondContact O-N 3.01Å; S426-A429 WeakPolarHBondContact O-CB 3.44Å; S426-A429 PolarHBondContact O-N 2.91Å; S426-A429 VanDerWaalsContact O-N 3.09Å
427S69.1Low70.4Confident15 Ų1575.2 Ų75.211%0.10541%0.414CS..Hα-helixtrans-63.2-26.6179.6-50.80000112.7R424 R425 A429 E430R424-S427 PolarHBondContact N-OG 3.01Å; R424-S427 WeakPolarHBondContact O-CB 3.48Å; R424-S427 PolarHBondContact O-N 2.76Å; R424-S427 PolarHBondContact O-OG 3.28Å; R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 PolarHBondContact O-N 2.87Å; S427-A429 VanDerWaalsContact C-N 3.34Å; S427-E430 PolarHBondContact O-N 3.03Å
428F69.8Low72.4Confident10 Ų1075 Ų754%0.04442%0.415CS..Hα-helixtrans-71.9-28176.5-67.1-78.1000113.2I416 R425 S426 E430 M431 F551 V560I416-F428 HydrophobicContact CD1-CE2 4.28Å; I416-F428 HydrophobicContact CD1-CZ 4.1Å; R425-F428 PolarHBondContact O-N 3.25Å; S426-F428 PolarHBondContact O-N 3.01Å; F428-E430 PolarHBondContact O-N 3.47Å; F428-M431 HydrophobicContact CD1-CE 3.39Å; F428-M431 HydrophobicContact CD1-SD 3.7Å; F428-M431 HydrophobicContact CE1-CE 3.6Å; F428-M431 HydrophobicContact CE1-SD 4.33Å; F428-M431 HydrophobicContact CG-CE 4.22Å; F428-M431 PolarHBondContact O-N 2.93Å; F428-F551 HydrophobicContact CB-CB 4.15Å; F428-F551 HydrophobicContact CD1-CB 3.94Å; F428-F551 HydrophobicContact CG-CB 4.27Å; F428-V560 HydrophobicContact CD1-CG2 4.5Å; F428-V560 HydrophobicContact CE1-CB 4.31Å; F428-V560 HydrophobicContact CE1-CG1 4.14Å; F428-V560 HydrophobicContact CE1-CG2 3.96Å
429A69.5Low73.9Confident94 Ų9476.3 Ų76.378%0.77743%0.426SS*.Hα-helixtrans-71.2-19.7176.600000112.4S426 S427S426-A429 WeakPolarHBondContact O-CB 3.44Å; S426-A429 PolarHBondContact O-N 2.91Å; S426-A429 VanDerWaalsContact O-N 3.09Å; S427-A429 VanDerWaalsContact C-N 3.34Å
430E74.1Confident75.2Confident126 Ų12673.1 Ų73.159%0.58939%0.392SS*.THydrogen-bonded Turntrans-99.26.3-178.4-67170.5-16300112.6S427 F428 F446S427-E430 PolarHBondContact O-N 3.03Å; F428-E430 PolarHBondContact O-N 3.47Å; E430-F446 HydrophobicContact CB-CD2 4.31Å; E430-F446 HydrophobicContact CB-CE2 3.79Å
431M81.8Confident77.1Confident16 Ų1670.4 Ų70.48%0.07936%0.364CS..PPolyproline II helixtrans-77130.4179-67.8-170.7172.500111.8F423 F428 T444 R445 F446 F451F423-M431 HydrophobicContact CD1-CE 4.42Å; F428-M431 HydrophobicContact CD1-CE 3.39Å; F428-M431 HydrophobicContact CD1-SD 3.7Å; F428-M431 HydrophobicContact CE1-CE 3.6Å; F428-M431 HydrophobicContact CE1-SD 4.33Å; F428-M431 HydrophobicContact CG-CE 4.22Å; F428-M431 PolarHBondContact O-N 2.93Å; M431-T444 PolarHBondContact SD-OG1 3.11Å; M431-T444 VanDerWaalsContact SD-OG1 3.4Å; M431-R445 CarbonylContact C-O 3.54Å; M431-R445 WeakPolarHBondContact CA-O 3.45Å; M431-F446 HydrophobicContact CE-CB 4.3Å; M431-F446 HydrophobicContact CG-CB 4.1Å; M431-F446 HydrophobicContact CG-CD2 4.2Å; M431-F451 HydrophobicContact CE-CD2 3.96Å; M431-F451 HydrophobicContact CE-CE2 4.06Å; M431-F451 HydrophobicContact CE-CG 4.27Å; M431-F451 HydrophobicContact CE-CZ 4.42Å; M431-F451 HydrophobicContact SD-CD2 4.43Å
432D86.7Confident78.5Confident84 Ų8466.1 Ų66.145%0.44935%0.346SS..EExtended strand (participates in β ladder)trans-75.2129.1170.1-67.6-31.6000109.5V434 T444 R445D432-V434 PolarHBondContact O-N 3.44Å; D432-T444 CarbonylContact O-C 3.44Å; D432-T444 WeakPolarHBondContact O-CA 3.29Å; D432-T444 WeakPolarHBondContact O-CB 3.48Å; D432-R445 HydrophobicContact CB-CB 4.37Å; D432-R445 PolarHBondContact N-O 3.2Å; D432-R445 PolarHBondContact O-N 3.23Å; D432-R445 IonicContact OD2-CZ 3.95Å; D432-R445 IonicContact OD2-NE 2.84Å; D432-R445 IonicContact OD2-NH2 3.63Å; D432-R445 PolarHBondContact OD2-NH2 2.98Å
433I88.8Confident80Confident46 Ų4663 Ų6324%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-81.4117.7172.5-58.5179.4000108.3I442 T444 M546 K547 F551I433-I442 HydrophobicContact CG2-CG2 3.95Å; I433-T444 HydrophobicContact CG1-CG2 4.27Å; I433-M546 HydrophobicContact CD1-CB 3.69Å; I433-M546 HydrophobicContact CG2-CB 4.15Å; I433-M546 HydrophobicContact CG2-SD 3.65Å; I433-K547 HydrophobicContact CD1-CB 4.3Å; I433-K547 HydrophobicContact CD1-CG 3.57Å; I433-F551 HydrophobicContact CD1-CZ 4.38Å
434V89.7Confident81.2Confident93 Ų9362.8 Ų62.856%0.56433%0.329SS*.EExtended strand (participates in β ladder)trans-81-41177.1-179.20000110.2D432 I443 R445 L450D432-V434 PolarHBondContact O-N 3.44Å; V434-I443 HydrophobicContact CB-CB 4.24Å; V434-I443 HydrophobicContact CB-CG2 3.97Å; V434-I443 HydrophobicContact CG1-CG2 4.42Å; V434-I443 HydrophobicContact CG2-CG2 4.24Å; V434-I443 PolarHBondContact N-O 3.06Å; V434-R445 HydrophobicContact CG2-CB 3.86Å; V434-L450 HydrophobicContact CG2-CD1 4.14Å
435G90.2Very high82.4Confident24 Ų2460.1 Ų60.125%0.24732%0.319CS..EExtended strand (participates in β ladder)trans160.2-164.3179.100000112.8I443G435-I443 PolarHBondContact N-O 3.47Å; G435-I443 PolarHBondContact O-N 2.92Å
436Q91.2Very high83.6Confident49 Ų4957.6 Ų57.623%0.22931%0.311CS..EExtended strand (participates in β ladder)trans-110.6133.4178-171.2179.832.500110.5F441 T539 M541 M546Q436-F441 CarbonylContact C-O 3.54Å; Q436-F441 VanDerWaalsContact CA-O 3.31Å; Q436-F441 WeakPolarHBondContact CA-O 3.43Å; Q436-F441 WeakPolarHBondContact CG-O 3.4Å; Q436-T539 PolarHBondContact NE2-O 2.88Å; Q436-M541 VanDerWaalsContact OE1-N 3.09Å; Q436-M546 HydrophobicContact CB-CE 3.58Å; Q436-M546 HydrophobicContact CB-SD 4.33Å
437F89.9Confident84.4Confident120 Ų12057 Ų5753%0.52632%0.316SS..EExtended strand (participates in β ladder)trans-106.4129.8174.2179.9-103.8000110.7L439 G440 F441 I443F437-L439 PolarHBondContact O-N 2.76Å; F437-G440 PolarHBondContact O-N 2.76Å; F437-F441 HydrophobicContact CB-CB 4.4Å; F437-F441 HydrophobicContact CD1-CD2 4.17Å; F437-F441 PolarHBondContact N-O 2.92Å; F437-F441 PolarHBondContact O-N 2.91Å; F437-I443 HydrophobicContact CB-CD1 4Å; F437-I443 HydrophobicContact CB-CG1 3.83Å
438N88.7Confident85.2Confident126 Ų12659.1 Ų59.167%0.67433%0.326SS*.THydrogen-bonded Turntrans51.329.2174.3-164.436.9000114.9G440N438-G440 PolarHBondContact O-N 3.46Å
439L86.4Confident85.8Confident78 Ų7859 Ų5941%0.40833%0.326SS..THydrogen-bonded Turntrans52.921.6-178.5-53.8176.2000114.7F437 Q455 G538 A540F437-L439 PolarHBondContact O-N 2.76Å; L439-Q455 PolarHBondContact O-NE2 3.15Å; L439-Q455 VanDerWaalsContact O-NE2 3.14Å; L439-Q455 PolarHBondContact O-OE1 3.12Å; L439-G538 WeakPolarHBondContact O-CA 3.48Å; L439-G538 PolarHBondContact O-N 2.91Å; L439-A540 HydrophobicContact CD2-CB 3.82Å
440G83.7Confident86.7Confident5 Ų556.2 Ų56.25%0.05230%0.297CS..THydrogen-bonded Turntrans-137.2-19.2-176.600000113.6F437 N438 Q455F437-G440 PolarHBondContact O-N 2.76Å; N438-G440 PolarHBondContact O-N 3.46Å; G440-Q455 VanDerWaalsContact CA-OE1 3.23Å; G440-Q455 WeakPolarHBondContact O-CG 2.77Å; G440-Q455 PolarHBondContact O-N 3.45Å; G440-Q455 PolarHBondContact O-OE1 2.8Å
441F89.2Confident87.3Confident73 Ų7350.2 Ų50.232%0.3227%0.269SS..EExtended strand (participates in β ladder)trans-128.7141.1-177.2-58.2-81.2000111.7Q436 F437 I452 I453 D454Q436-F441 CarbonylContact C-O 3.54Å; Q436-F441 VanDerWaalsContact CA-O 3.31Å; Q436-F441 WeakPolarHBondContact CA-O 3.43Å; Q436-F441 WeakPolarHBondContact CG-O 3.4Å; F437-F441 HydrophobicContact CB-CB 4.4Å; F437-F441 HydrophobicContact CD1-CD2 4.17Å; F437-F441 PolarHBondContact N-O 2.92Å; F437-F441 PolarHBondContact O-N 2.91Å; F441-I452 HydrophobicContact CB-CD1 3.74Å; F441-I452 HydrophobicContact CB-CG1 3.56Å; F441-I452 HydrophobicContact CD1-CD1 3.87Å; F441-I452 HydrophobicContact CD1-CG1 3.78Å; F441-I452 HydrophobicContact CD2-CD1 4.2Å; F441-I452 HydrophobicContact CG-CD1 3.66Å; F441-I452 HydrophobicContact CG-CG1 3.82Å; F441-I453 CarbonylContact C-O 3.45Å; F441-I453 WeakPolarHBondContact CA-O 3.49Å; F441-D454 HydrophobicContact CD1-CB 4.41Å; F441-D454 HydrophobicContact CE1-CB 4.33Å
442I87.9Confident87.5Confident0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-97.8127.9170.4-58.8167.9000107.2I433 T444 I453 Q455 M541 M546 V549 F551I433-I442 HydrophobicContact CG2-CG2 3.95Å; I442-T444 HydrophobicContact CG2-CG2 3.93Å; I442-I453 HydrophobicContact CB-CB 4.25Å; I442-I453 PolarHBondContact N-O 3.46Å; I442-I453 WeakPolarHBondContact O-CB 3.33Å; I442-I453 PolarHBondContact O-N 3.35Å; I442-Q455 HydrophobicContact CD1-CB 4.14Å; I442-Q455 HydrophobicContact CG1-CB 4.17Å; I442-M541 HydrophobicContact CD1-SD 4.43Å; I442-M546 HydrophobicContact CD1-CB 4.06Å; I442-M546 HydrophobicContact CD1-CG 4.16Å; I442-M546 HydrophobicContact CG1-CG 4.24Å; I442-M546 HydrophobicContact CG1-SD 4.4Å; I442-M546 HydrophobicContact CG2-CB 4.37Å; I442-M546 HydrophobicContact CG2-SD 4.14Å; I442-V549 HydrophobicContact CD1-CB 4.07Å; I442-V549 HydrophobicContact CD1-CG1 4.23Å; I442-V549 HydrophobicContact CD1-CG2 3.98Å; I442-F551 HydrophobicContact CD1-CE1 4.35Å
443I90.3Very high87.5Confident24 Ų2446.6 Ų46.612%0.12325%0.25CS..EExtended strand (participates in β ladder)trans-95.4125.9175-55.3-62.2000107.9V434 G435 F437 L450 F451 I452 L563V434-I443 HydrophobicContact CB-CB 4.24Å; V434-I443 HydrophobicContact CB-CG2 3.97Å; V434-I443 HydrophobicContact CG1-CG2 4.42Å; V434-I443 HydrophobicContact CG2-CG2 4.24Å; V434-I443 PolarHBondContact N-O 3.06Å; G435-I443 PolarHBondContact N-O 3.47Å; G435-I443 PolarHBondContact O-N 2.92Å; F437-I443 HydrophobicContact CB-CD1 4Å; F437-I443 HydrophobicContact CB-CG1 3.83Å; I443-L450 HydrophobicContact CG2-CD1 3.58Å; I443-L450 HydrophobicContact CG2-CD2 4.2Å; I443-L450 HydrophobicContact CG2-CG 3.91Å; I443-F451 WeakPolarHBondContact CA-O 3.4Å; I443-I452 HydrophobicContact CD1-CB 4Å; I443-I452 HydrophobicContact CD1-CD1 4.02Å; I443-I452 HydrophobicContact CD1-CG1 3.74Å; I443-L563 HydrophobicContact CD1-CD1 3.88Å
444T88.7Confident87.3Confident0 Ų046.8 Ų46.80%025%0.251CS..EExtended strand (participates in β ladder)trans-125.6155.1178.366.40000111.2M431 D432 I433 I442 F451 I453 F551M431-T444 PolarHBondContact SD-OG1 3.11Å; M431-T444 VanDerWaalsContact SD-OG1 3.4Å; D432-T444 CarbonylContact O-C 3.44Å; D432-T444 WeakPolarHBondContact O-CA 3.29Å; D432-T444 WeakPolarHBondContact O-CB 3.48Å; I433-T444 HydrophobicContact CG1-CG2 4.27Å; I442-T444 HydrophobicContact CG2-CG2 3.93Å; T444-F451 PolarHBondContact N-O 2.89Å; T444-F451 PolarHBondContact O-N 3.09Å; T444-F451 WeakPolarHBondContact OG1-CB 3.1Å; T444-I453 HydrophobicContact CG2-CD1 3.62Å; T444-I453 HydrophobicContact CG2-CG1 4.35Å; T444-F551 HydrophobicContact CG2-CZ 4.25Å
445R87.9Confident87.1Confident107 Ų10742.3 Ų42.340%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-123.2136.2178.5-177.4-17568.91731.8109.4M431 D432 V434 G447 D449 L450 L566M431-R445 CarbonylContact C-O 3.54Å; M431-R445 WeakPolarHBondContact CA-O 3.45Å; D432-R445 HydrophobicContact CB-CB 4.37Å; D432-R445 PolarHBondContact N-O 3.2Å; D432-R445 PolarHBondContact O-N 3.23Å; D432-R445 IonicContact OD2-CZ 3.95Å; D432-R445 IonicContact OD2-NE 2.84Å; D432-R445 IonicContact OD2-NH2 3.63Å; D432-R445 PolarHBondContact OD2-NH2 2.98Å; V434-R445 HydrophobicContact CG2-CB 3.86Å; R445-G447 WeakPolarHBondContact CD-O 3.37Å; R445-G447 VanDerWaalsContact CG-O 3.29Å; R445-G447 WeakPolarHBondContact CG-O 3.43Å; R445-D449 CarbonylContact C-O 3.43Å; R445-D449 VanDerWaalsContact CA-O 3.31Å; R445-D449 WeakPolarHBondContact CA-O 3.45Å; R445-L450 HydrophobicContact CB-CD1 4.46Å; R445-L566 HydrophobicContact CG-CD1 4.35Å
446F85.5Confident86.7Confident52 Ų5242.9 Ų42.923%0.22822%0.22CC..EExtended strand (participates in β ladder)trans-129.8104.8170.2-173.2-100.7000109.5F423 E430 M431 D448 D449 F451F423-F446 HydrophobicContact CD1-CD1 4.28Å; F423-F446 HydrophobicContact CD1-CE1 4.47Å; F423-F446 HydrophobicContact CE1-CB 4.33Å; F423-F446 AromaticContact CE1-CD1 3.38Å; F423-F446 HydrophobicContact CE1-CD1 3.38Å; F423-F446 AromaticContact CE1-CE1 3.86Å; F423-F446 HydrophobicContact CE1-CE1 3.86Å; F423-F446 HydrophobicContact CE1-CG 4.02Å; F423-F446 HydrophobicContact CZ-CD1 4.13Å; E430-F446 HydrophobicContact CB-CD2 4.31Å; E430-F446 HydrophobicContact CB-CE2 3.79Å; M431-F446 HydrophobicContact CE-CB 4.3Å; M431-F446 HydrophobicContact CG-CB 4.1Å; M431-F446 HydrophobicContact CG-CD2 4.2Å; F446-D448 PolarHBondContact O-N 2.94Å; F446-D449 PolarHBondContact N-O 2.79Å; F446-D449 WeakPolarHBondContact O-CB 3.45Å; F446-D449 PolarHBondContact O-N 3.33Å; F446-F451 HydrophobicContact CB-CD2 4.43Å; F446-F451 HydrophobicContact CB-CE2 3.93Å
447G83.7Confident86Confident56 Ų5641.3 Ų41.358%0.57722%0.216SC*.THydrogen-bonded Turntrans58.8-122.6-169.700000111.2R445 D449R445-G447 WeakPolarHBondContact CD-O 3.37Å; R445-G447 VanDerWaalsContact CG-O 3.29Å; R445-G447 WeakPolarHBondContact CG-O 3.43Å; G447-D449 VanDerWaalsContact C-N 3.34Å
448D84.6Confident85.4Confident58 Ų5835.6 Ų35.631%0.3119%0.191SC..THydrogen-bonded Turntrans-88.73176.6-59.1-35.4000112.8F446 K565 L566 R568F446-D448 PolarHBondContact O-N 2.94Å; D448-K565 HydrophobicContact CB-CG 4.12Å; D448-K565 CarbonylContact O-C 3.56Å; D448-K565 WeakPolarHBondContact O-CA 3.33Å; D448-L566 WeakPolarHBondContact O-CB 3.46Å; D448-L566 PolarHBondContact O-N 3.39Å; D448-R568 IonicContact OD1-NE 2.94Å
449D84Confident85.1Confident9 Ų930.6 Ų30.65%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-102133-175.8-67.9-70.1000111.2K421 R445 F446 G447 F451 H562K421-D449 IonicContact NZ-OD2 3.28Å; K421-D449 PolarHBondContact NZ-OD2 2.95Å; R445-D449 CarbonylContact C-O 3.43Å; R445-D449 VanDerWaalsContact CA-O 3.31Å; R445-D449 WeakPolarHBondContact CA-O 3.45Å; F446-D449 PolarHBondContact N-O 2.79Å; F446-D449 WeakPolarHBondContact O-CB 3.45Å; F446-D449 PolarHBondContact O-N 3.33Å; G447-D449 VanDerWaalsContact C-N 3.34Å; D449-F451 HydrophobicContact CB-CE2 3.58Å; D449-F451 HydrophobicContact CB-CZ 3.98Å; D449-H562 IonicContact OD1-CD2 2.84Å; D449-H562 IonicContact OD1-CE1 3.68Å; D449-H562 IonicContact OD1-NE2 2.74Å; D449-H562 PolarHBondContact OD1-NE2 2.88Å
450L87.9Confident84.7Confident35 Ų3529.1 Ų29.118%0.18316%0.155CC..EExtended strand (participates in β ladder)trans-103.3136176.8-165.175.6000109.7V434 I443 R445 L563 A564V434-L450 HydrophobicContact CG2-CD1 4.14Å; I443-L450 HydrophobicContact CG2-CD1 3.58Å; I443-L450 HydrophobicContact CG2-CD2 4.2Å; I443-L450 HydrophobicContact CG2-CG 3.91Å; R445-L450 HydrophobicContact CB-CD1 4.46Å; L450-L563 HydrophobicContact CB-CB 4.34Å; L450-L563 HydrophobicContact CD2-CB 4.24Å; L450-L563 HydrophobicContact CD2-CD1 3.79Å; L450-L563 HydrophobicContact CG-CB 4.43Å; L450-L563 HydrophobicContact CG-CD1 4.15Å; L450-L563 PolarHBondContact O-N 2.76Å; L450-A564 PolarHBondContact N-O 3.27Å; L450-A564 PolarHBondContact O-N 3.46Å
451F86.5Confident84.2Confident0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-125.8149.7-179.7-63.9-90.2000110.8Y418 F423 M431 I443 T444 F446 D449 V560 Q561 H562Y418-F451 AromaticContact CD2-CE1 3.9Å; Y418-F451 HydrophobicContact CD2-CE1 3.9Å; Y418-F451 HydrophobicContact CE2-CE1 4.22Å; Y418-F451 HydrophobicContact CG-CE1 4.37Å; F423-F451 HydrophobicContact CD1-CZ 4.36Å; F423-F451 HydrophobicContact CE1-CE2 4.03Å; F423-F451 AromaticContact CE1-CZ 3.62Å; F423-F451 HydrophobicContact CE1-CZ 3.62Å; F423-F451 HydrophobicContact CE2-CE1 4.46Å; F423-F451 AromaticContact CE2-CZ 3.83Å; F423-F451 HydrophobicContact CE2-CZ 3.83Å; F423-F451 HydrophobicContact CZ-CE1 4.35Å; F423-F451 HydrophobicContact CZ-CE2 4.03Å; F423-F451 AromaticContact CZ-CZ 3.36Å; F423-F451 HydrophobicContact CZ-CZ 3.36Å; M431-F451 HydrophobicContact CE-CD2 3.96Å; M431-F451 HydrophobicContact CE-CE2 4.06Å; M431-F451 HydrophobicContact CE-CG 4.27Å; M431-F451 HydrophobicContact CE-CZ 4.42Å; M431-F451 HydrophobicContact SD-CD2 4.43Å; I443-F451 WeakPolarHBondContact CA-O 3.4Å; T444-F451 PolarHBondContact N-O 2.89Å; T444-F451 PolarHBondContact O-N 3.09Å; T444-F451 WeakPolarHBondContact OG1-CB 3.1Å; F446-F451 HydrophobicContact CB-CD2 4.43Å; F446-F451 HydrophobicContact CB-CE2 3.93Å; D449-F451 HydrophobicContact CB-CE2 3.58Å; D449-F451 HydrophobicContact CB-CZ 3.98Å; F451-V560 HydrophobicContact CB-CG1 3.96Å; F451-V560 HydrophobicContact CD1-CG1 3.74Å; F451-V560 HydrophobicContact CG-CG1 4.18Å; F451-Q561 CarbonylContact C-O 3.57Å; F451-Q561 VanDerWaalsContact CA-O 3.25Å; F451-Q561 WeakPolarHBondContact CA-O 3.14Å; F451-H562 HydrophobicContact CD1-CB 4.12Å; F451-H562 HydrophobicContact CE1-CB 3.85Å; F451-H562 AromaticContact CE1-CD2 3.73Å; F451-H562 AromaticContact CZ-CD2 3.68Å
452I87.1Confident83.7Confident24 Ų2433.1 Ų33.112%0.12317%0.167CC..EExtended strand (participates in β ladder)trans-114.4136.2169.9-170165.3000109.2F441 I443 V560 Q561 L563F441-I452 HydrophobicContact CB-CD1 3.74Å; F441-I452 HydrophobicContact CB-CG1 3.56Å; F441-I452 HydrophobicContact CD1-CD1 3.87Å; F441-I452 HydrophobicContact CD1-CG1 3.78Å; F441-I452 HydrophobicContact CD2-CD1 4.2Å; F441-I452 HydrophobicContact CG-CD1 3.66Å; F441-I452 HydrophobicContact CG-CG1 3.82Å; I443-I452 HydrophobicContact CD1-CB 4Å; I443-I452 HydrophobicContact CD1-CD1 4.02Å; I443-I452 HydrophobicContact CD1-CG1 3.74Å; I452-V560 CarbonylContact O-C 3.54Å; I452-V560 WeakPolarHBondContact O-CA 3.01Å; I452-Q561 HydrophobicContact CG2-CB 3.71Å; I452-Q561 PolarHBondContact N-O 2.88Å; I452-Q561 PolarHBondContact O-N 3.37Å; I452-L563 HydrophobicContact CB-CD1 3.77Å; I452-L563 HydrophobicContact CB-CD2 3.94Å; I452-L563 HydrophobicContact CB-CG 3.74Å; I452-L563 HydrophobicContact CD1-CD2 4.49Å; I452-L563 HydrophobicContact CG2-CD1 4.37Å; I452-L563 HydrophobicContact CG2-CD2 3.62Å; I452-L563 HydrophobicContact CG2-CG 3.78Å
453I85Confident83.3Confident0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-126.3126.5-174.9-53-170.8000109.5F441 I442 T444 Q455 S458 F551 T559 V560F441-I453 CarbonylContact C-O 3.45Å; F441-I453 WeakPolarHBondContact CA-O 3.49Å; I442-I453 HydrophobicContact CB-CB 4.25Å; I442-I453 PolarHBondContact N-O 3.46Å; I442-I453 WeakPolarHBondContact O-CB 3.33Å; I442-I453 PolarHBondContact O-N 3.35Å; T444-I453 HydrophobicContact CG2-CD1 3.62Å; T444-I453 HydrophobicContact CG2-CG1 4.35Å; I453-Q455 PolarHBondContact O-N 2.92Å; I453-S458 VanDerWaalsContact CG2-OG 3.29Å; I453-S458 WeakPolarHBondContact CG2-OG 3.01Å; I453-F551 HydrophobicContact CB-CD1 4.46Å; I453-F551 HydrophobicContact CD1-CB 4.16Å; I453-F551 HydrophobicContact CD1-CD1 3.23Å; I453-F551 HydrophobicContact CD1-CD2 4.21Å; I453-F551 HydrophobicContact CD1-CE1 3.49Å; I453-F551 VanDerWaalsContact CD1-CE1 3.49Å; I453-F551 HydrophobicContact CD1-CE2 4.44Å; I453-F551 HydrophobicContact CD1-CG 3.6Å; I453-F551 HydrophobicContact CD1-CZ 4.11Å; I453-F551 HydrophobicContact CG1-CD1 4.37Å; I453-F551 HydrophobicContact CG2-CD1 3.69Å; I453-F551 HydrophobicContact CG2-CE1 4.03Å; I453-T559 CarbonylContact C-O 3.5Å; I453-T559 WeakPolarHBondContact CA-O 3.09Å; I453-T559 WeakPolarHBondContact CG2-O 3.03Å; I453-V560 HydrophobicContact CD1-CG1 4.49Å; I453-V560 HydrophobicContact CD1-CG2 4.03Å; I453-V560 HydrophobicContact CG1-CB 4.4Å; I453-V560 HydrophobicContact CG1-CG1 4.09Å; I453-V560 HydrophobicContact CG1-CG2 3.94Å; I453-V560 HydrophobicContact CG2-CG2 4.29Å
454D84.6Confident82.6Confident49 Ų4935.1 Ų35.126%0.26218%0.176SC..EExtended strand (participates in β ladder)trans-71.1113171.7-176.5-34.9000109.6F441 H456 A457 S458 T559F441-D454 HydrophobicContact CD1-CB 4.41Å; F441-D454 HydrophobicContact CE1-CB 4.33Å; D454-H456 PolarHBondContact O-N 3.14Å; D454-H456 PolarHBondContact OD1-N 2.8Å; D454-A457 HydrophobicContact CB-CB 3.95Å; D454-A457 PolarHBondContact OD1-N 3.5Å; D454-S458 VanDerWaalsContact O-CB 3.23Å; D454-S458 WeakPolarHBondContact O-CB 3.09Å; D454-S458 PolarHBondContact O-N 2.84Å; D454-S458 VanDerWaalsContact O-N 3.08Å; D454-S458 PolarHBondContact O-OG 2.75Å; D454-T559 PolarHBondContact N-O 3.25Å
455Q85.7Confident82.1Confident0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-66.6-37.7-17679.7-168.942.400112L439 G440 I442 I453 D459 V535 M536 T539 M541L439-Q455 PolarHBondContact O-NE2 3.15Å; L439-Q455 VanDerWaalsContact O-NE2 3.14Å; L439-Q455 PolarHBondContact O-OE1 3.12Å; G440-Q455 VanDerWaalsContact CA-OE1 3.23Å; G440-Q455 WeakPolarHBondContact O-CG 2.77Å; G440-Q455 PolarHBondContact O-N 3.45Å; G440-Q455 PolarHBondContact O-OE1 2.8Å; I442-Q455 HydrophobicContact CD1-CB 4.14Å; I442-Q455 HydrophobicContact CG1-CB 4.17Å; I453-Q455 PolarHBondContact O-N 2.92Å; Q455-D459 VanDerWaalsContact O-CB 3.31Å; Q455-D459 WeakPolarHBondContact O-CB 3.49Å; Q455-D459 PolarHBondContact O-N 2.96Å; Q455-V535 HydrophobicContact CG-CG1 4.34Å; Q455-M536 PolarHBondContact NE2-O 2.91Å; Q455-T539 PolarHBondContact NE2-O 3.48Å; Q455-M541 HydrophobicContact CB-SD 4.36Å
456H81.4Confident81.6Confident35 Ų3534.3 Ų34.316%0.16218%0.18CC..Hα-helixtrans-71.8-48.8-176.8-179.769.7000110.4D454 S458 D459 E460 V535 I537D454-H456 PolarHBondContact O-N 3.14Å; D454-H456 PolarHBondContact OD1-N 2.8Å; H456-S458 VanDerWaalsContact C-N 3.3Å; H456-S458 PolarHBondContact O-N 2.98Å; H456-D459 PolarHBondContact O-N 2.9Å; H456-E460 IonicContact NE2-OE2 3.52Å; H456-E460 VanDerWaalsContact O-CB 3.29Å; H456-E460 WeakPolarHBondContact O-CB 3.48Å; H456-E460 PolarHBondContact O-N 3.18Å; H456-V535 PolarHBondContact ND1-O 2.96Å; H456-I537 HydrophobicContact CB-CG1 4.12Å
457A76.8Confident81.3Confident16 Ų1633 Ų3313%0.13218%0.175CC..Hα-helixtrans-65.2-36.5-179.200000111.9D454 R461 T559D454-A457 HydrophobicContact CB-CB 3.95Å; D454-A457 PolarHBondContact OD1-N 3.5Å; A457-R461 WeakPolarHBondContact O-CB 3.4Å; A457-R461 PolarHBondContact O-N 3.12Å; A457-R461 VanDerWaalsContact O-N 3.11Å; A457-T559 HydrophobicContact CB-CG2 3.89Å
458S78.3Confident80.8Confident1 Ų135.9 Ų35.91%0.00717%0.174CC..Hα-helixtrans-70-44.1177.6-57.60000112I453 D454 H456 R461 Y462I453-S458 VanDerWaalsContact CG2-OG 3.29Å; I453-S458 WeakPolarHBondContact CG2-OG 3.01Å; D454-S458 VanDerWaalsContact O-CB 3.23Å; D454-S458 WeakPolarHBondContact O-CB 3.09Å; D454-S458 PolarHBondContact O-N 2.84Å; D454-S458 VanDerWaalsContact O-N 3.08Å; D454-S458 PolarHBondContact O-OG 2.75Å; H456-S458 VanDerWaalsContact C-N 3.3Å; H456-S458 PolarHBondContact O-N 2.98Å; S458-R461 WeakPolarHBondContact O-CB 3.33Å; S458-R461 PolarHBondContact O-N 2.91Å; S458-Y462 PolarHBondContact O-N 3.44Å
459D81.2Confident80.3Confident21 Ų2141.4 Ų41.411%0.11220%0.195CC..Hα-helixtrans-70.9-38.6178.9-168.851.9000112.6Q455 H456 R461 Y462 N463 S534 V535Q455-D459 VanDerWaalsContact O-CB 3.31Å; Q455-D459 WeakPolarHBondContact O-CB 3.49Å; Q455-D459 PolarHBondContact O-N 2.96Å; H456-D459 PolarHBondContact O-N 2.9Å; D459-R461 VanDerWaalsContact C-N 3.28Å; D459-R461 PolarHBondContact O-N 2.93Å; D459-Y462 PolarHBondContact O-N 3.35Å; D459-N463 WeakPolarHBondContact O-CB 3.29Å; D459-N463 VanDerWaalsContact O-CG 3.27Å; D459-N463 PolarHBondContact O-N 3.46Å; D459-N463 PolarHBondContact O-ND2 3.42Å; D459-N463 VanDerWaalsContact O-ND2 3.16Å; D459-N463 PolarHBondContact OD2-ND2 3.29Å; D459-S534 WeakPolarHBondContact OD2-CA 3.49Å; D459-V535 HydrophobicContact CB-CB 4.47Å; D459-V535 HydrophobicContact CB-CG2 4.39Å; D459-V535 PolarHBondContact OD2-N 3.48Å
460E78.8Confident80Confident46 Ų4645.5 Ų45.522%0.21522%0.221CC..Hα-helixtrans-56.1-43.7169.3-173.2-178.7172.300112H456 N463 Y464 A530 C531 S534H456-E460 IonicContact NE2-OE2 3.52Å; H456-E460 VanDerWaalsContact O-CB 3.29Å; H456-E460 WeakPolarHBondContact O-CB 3.48Å; H456-E460 PolarHBondContact O-N 3.18Å; E460-N463 PolarHBondContact O-N 2.92Å; E460-Y464 WeakPolarHBondContact O-CB 3.42Å; E460-Y464 PolarHBondContact O-N 3.28Å; E460-A530 HydrophobicContact CG-CB 4.19Å; E460-C531 HydrophobicContact CG-CB 4.26Å; E460-S534 WeakPolarHBondContact CA-OG 3.36Å; E460-S534 WeakPolarHBondContact CB-OG 3.41Å; E460-S534 PolarHBondContact N-OG 3.01Å; E460-S534 VanDerWaalsContact N-OG 3.13Å
461R74Confident79.2Confident66 Ų6645.2 Ų45.225%0.24922%0.223CC..Hα-helixtrans-64.2-47179.2-177.664-172.5178.45.9111.5A457 S458 D459 Y464 E465A457-R461 WeakPolarHBondContact O-CB 3.4Å; A457-R461 PolarHBondContact O-N 3.12Å; A457-R461 VanDerWaalsContact O-N 3.11Å; S458-R461 WeakPolarHBondContact O-CB 3.33Å; S458-R461 PolarHBondContact O-N 2.91Å; D459-R461 VanDerWaalsContact C-N 3.28Å; D459-R461 PolarHBondContact O-N 2.93Å; R461-Y464 PolarHBondContact O-N 3.1Å; R461-E465 IonicContact CZ-OE1 2.66Å; R461-E465 IonicContact NE-OE1 3.71Å; R461-E465 PolarHBondContact NE-OE1 3.25Å; R461-E465 IonicContact NH2-OE1 3.23Å; R461-E465 PolarHBondContact NH2-OE1 2.66Å; R461-E465 WeakPolarHBondContact O-CG 2.75Å; R461-E465 PolarHBondContact O-N 3.28Å
462Y77.7Confident78.3Confident97 Ų9751.3 Ų51.338%0.3826%0.255SS..Hα-helixtrans-57.8-50.4176.4177.3-102.4000111.3S458 D459 Y464 E465 V466 N550S458-Y462 PolarHBondContact O-N 3.44Å; D459-Y462 PolarHBondContact O-N 3.35Å; Y462-Y464 VanDerWaalsContact C-N 3.3Å; Y462-Y464 PolarHBondContact O-N 3.06Å; Y462-E465 PolarHBondContact O-N 3.44Å; Y462-V466 HydrophobicContact CD1-CG2 4.24Å; Y462-V466 HydrophobicContact CD2-CG2 4.29Å; Y462-V466 HydrophobicContact CE1-CG2 3.84Å; Y462-V466 HydrophobicContact CE2-CG2 3.92Å; Y462-V466 HydrophobicContact CG-CG2 4.46Å; Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; Y462-V466 PolarHBondContact O-N 3.37Å; Y462-N550 HydrophobicContact CD2-CB 3.62Å; Y462-N550 HydrophobicContact CE2-CB 4.37Å; Y462-N550 HydrophobicContact CG-CB 4.29Å
463N79.6Confident77.4Confident29 Ų2951 Ų5116%0.15525%0.254CS..Hα-helixtrans-59-40.9178.3-74.1-34.1000112.1D459 E460 L467 A530D459-N463 WeakPolarHBondContact O-CB 3.29Å; D459-N463 VanDerWaalsContact O-CG 3.27Å; D459-N463 PolarHBondContact O-N 3.46Å; D459-N463 PolarHBondContact O-ND2 3.42Å; D459-N463 VanDerWaalsContact O-ND2 3.16Å; D459-N463 PolarHBondContact OD2-ND2 3.29Å; E460-N463 PolarHBondContact O-N 2.92Å; N463-L467 VanDerWaalsContact O-CB 3.31Å; N463-L467 WeakPolarHBondContact O-CB 3.43Å; N463-L467 WeakPolarHBondContact O-CG 3.15Å; N463-L467 PolarHBondContact O-N 2.67Å; N463-A530 HydrophobicContact CB-CB 3.94Å
464Y76.7Confident76.3Confident36 Ų3659.8 Ų59.814%0.14130%0.295CS..Hα-helixtrans-63.8-45.9177-179.2-91000112E460 R461 Y462 L467 Q468 F526 A527E460-Y464 WeakPolarHBondContact O-CB 3.42Å; E460-Y464 PolarHBondContact O-N 3.28Å; R461-Y464 PolarHBondContact O-N 3.1Å; Y462-Y464 VanDerWaalsContact C-N 3.3Å; Y462-Y464 PolarHBondContact O-N 3.06Å; Y464-L467 PolarHBondContact O-N 3.23Å; Y464-Q468 WeakPolarHBondContact O-CB 3.27Å; Y464-Q468 PolarHBondContact O-N 3.31Å; Y464-F526 HydrophobicContact CD2-CB 3.97Å; Y464-F526 HydrophobicContact CE2-CB 3.7Å; Y464-A527 HydrophobicContact CD2-CB 4.26Å; Y464-A527 HydrophobicContact CE2-CB 4.17Å
465E76.5Confident75.2Confident38 Ų3860.5 Ų60.518%0.17830%0.304CS..Hα-helixtrans-67-39.5179.5-71-176.5177.600112.1R461 Y462 Q468 K469R461-E465 IonicContact CZ-OE1 2.66Å; R461-E465 IonicContact NE-OE1 3.71Å; R461-E465 PolarHBondContact NE-OE1 3.25Å; R461-E465 IonicContact NH2-OE1 3.23Å; R461-E465 PolarHBondContact NH2-OE1 2.66Å; R461-E465 WeakPolarHBondContact O-CG 2.75Å; R461-E465 PolarHBondContact O-N 3.28Å; Y462-E465 PolarHBondContact O-N 3.44Å; E465-Q468 PolarHBondContact O-N 3.18Å; E465-K469 WeakPolarHBondContact O-CG 3.49Å; E465-K469 PolarHBondContact O-N 3.49Å
466V77.4Confident73.8Confident52 Ų5268.5 Ų68.532%0.31534%0.341SS..Hα-helixtrans-63.1-47.2173.5172.70000110.3Y462 Q468 K469 T470Y462-V466 HydrophobicContact CD1-CG2 4.24Å; Y462-V466 HydrophobicContact CD2-CG2 4.29Å; Y462-V466 HydrophobicContact CE1-CG2 3.84Å; Y462-V466 HydrophobicContact CE2-CG2 3.92Å; Y462-V466 HydrophobicContact CG-CG2 4.46Å; Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; Y462-V466 PolarHBondContact O-N 3.37Å; V466-Q468 VanDerWaalsContact C-N 3.29Å; V466-Q468 PolarHBondContact O-N 3.21Å; V466-K469 PolarHBondContact O-N 2.56Å; V466-K469 VanDerWaalsContact O-N 3.16Å; V466-T470 HydrophobicContact CG1-CG2 4.16Å; V466-T470 WeakPolarHBondContact O-CB 3.13Å; V466-T470 WeakPolarHBondContact O-CG2 3.25Å; V466-T470 PolarHBondContact O-N 3.01Å; V466-T470 PolarHBondContact O-OG1 3.29Å
467L78.8Confident72.8Confident25 Ų2577.6 Ų77.613%0.13137%0.374CS..Hα-helixtrans-60.6-40176-77169.4000111.5N463 Y464 K469 T470 A471 K529 A530N463-L467 VanDerWaalsContact O-CB 3.31Å; N463-L467 WeakPolarHBondContact O-CB 3.43Å; N463-L467 WeakPolarHBondContact O-CG 3.15Å; N463-L467 PolarHBondContact O-N 2.67Å; Y464-L467 PolarHBondContact O-N 3.23Å; L467-K469 VanDerWaalsContact C-N 3.27Å; L467-K469 PolarHBondContact O-N 2.99Å; L467-T470 PolarHBondContact O-N 3.21Å; L467-A471 WeakPolarHBondContact O-CA 3.48Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.09Å; L467-K529 HydrophobicContact CD1-CB 3.75Å; L467-A530 HydrophobicContact CD1-CB 4.23Å
468Q74.9Confident71.8Confident116 Ų11680.6 Ų80.654%0.54239%0.387SS..Hα-helixtrans-63.8-33.7177.6-170178.47.900112.5Y464 E465 V466Y464-Q468 WeakPolarHBondContact O-CB 3.27Å; Y464-Q468 PolarHBondContact O-N 3.31Å; E465-Q468 PolarHBondContact O-N 3.18Å; V466-Q468 VanDerWaalsContact C-N 3.29Å; V466-Q468 PolarHBondContact O-N 3.21Å
469K73.9Confident71Confident175 Ų17588.2 Ų88.276%0.76143%0.433SS*.Hα-helixtrans-83.4-34.3178.9-70.4177.2-177.8179.70113.7E465 V466 L467E465-K469 WeakPolarHBondContact O-CG 3.49Å; E465-K469 PolarHBondContact O-N 3.49Å; V466-K469 PolarHBondContact O-N 2.56Å; V466-K469 VanDerWaalsContact O-N 3.16Å; L467-K469 VanDerWaalsContact C-N 3.27Å; L467-K469 PolarHBondContact O-N 2.99Å
470T77.2Confident69.7Low95 Ų9592 Ų9258%0.58346%0.46SS*.Hα-helixtrans-106.3-22.6-16959.50000114.1V466 L467 I472V466-T470 HydrophobicContact CG1-CG2 4.16Å; V466-T470 WeakPolarHBondContact O-CB 3.13Å; V466-T470 WeakPolarHBondContact O-CG2 3.25Å; V466-T470 PolarHBondContact O-N 3.01Å; V466-T470 PolarHBondContact O-OG1 3.29Å; L467-T470 PolarHBondContact O-N 3.21Å; T470-I472 PolarHBondContact O-N 3.23Å
471A72.3Confident68.9Low29 Ų2992.8 Ų92.824%0.2447%0.471CS..  trans-72.8121.8-174.900000111L467 F526L467-A471 WeakPolarHBondContact O-CA 3.48Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.09Å; A471-F526 HydrophobicContact CB-CD1 4.49Å; A471-F526 HydrophobicContact CB-CE1 3.59Å; A471-F526 HydrophobicContact CB-CZ 3.67Å
472I67.6Low68.4Low128 Ų12894.7 Ų94.766%0.65649%0.485SS*.  trans-88.5126.2163.9-60170.3000106.9T470T470-I472 PolarHBondContact O-N 3.23Å
473V67Low67.9Low17 Ų1794.8 Ų94.810%0.10350%0.498CS..  trans-86.3115.6179-176.80000108.8S475 K503 G505 P519 L522 F526V473-S475 PolarHBondContact O-N 3.32Å; V473-K503 PolarHBondContact N-O 3.05Å; V473-K503 VanDerWaalsContact N-O 3.16Å; V473-G505 WeakPolarHBondContact O-CA 3.35Å; V473-P519 HydrophobicContact CG1-CG 3.96Å; V473-L522 HydrophobicContact CB-CD1 4.13Å; V473-L522 HydrophobicContact CG1-CD1 3.51Å; V473-L522 HydrophobicContact CG2-CD1 3.44Å; V473-L522 VanDerWaalsContact CG2-CD1 3.44Å; V473-L522 HydrophobicContact CG2-CD2 3.75Å; V473-L522 HydrophobicContact CG2-CG 4.08Å; V473-F526 HydrophobicContact CG2-CZ 4.1Å
474E62.6Low67.4Low184 Ų18497.1 Ų97.186%0.8651%0.509SS*.PPolyproline II helixtrans-62.3126.2170.4-68.8-179.9175.800109.9
475S60.5Low67.2Low65 Ų65104.9 Ų104.946%0.45555%0.547SS..PPolyproline II helixtrans-89.3137.5-179.557.60000111V473 G505V473-S475 PolarHBondContact O-N 3.32Å; S475-G505 WeakPolarHBondContact CB-O 2.77Å
476Q57.4Low67.2Low168 Ų168105.5 Ų105.579%0.78555%0.553SS**PPolyproline II helixtrans-101.6122.9170.3-173.1173.611.800109L478 H517Q476-L478 PolarHBondContact O-N 2.73Å; Q476-H517 PolarHBondContact O-ND1 3.07Å
477R59.3Low67.4Low226 Ų226105.8 Ų105.885%0.85356%0.558SS**PPolyproline II helixtrans-62.2133.6176.2-72-174178.5178.1-1110.5
478L57.3Low67.5Low78 Ų78108.7 Ų108.741%0.40859%0.585SS.*PPolyproline II helixtrans-73.4149.1170.7-65.7173.3000109.2Q476 C480 I482 M516Q476-L478 PolarHBondContact O-N 2.73Å; L478-C480 VanDerWaalsContact CB-O 3.25Å; L478-C480 WeakPolarHBondContact CB-O 3.25Å; L478-C480 PolarHBondContact O-N 3.29Å; L478-I482 HydrophobicContact CD1-CD1 4.1Å; L478-I482 HydrophobicContact CD1-CG1 4.24Å; L478-M516 WeakPolarHBondContact CD1-O 3.4Å
479V60.2Low68Low161 Ų161111.4 Ų111.498%0.97659%0.592SS**SBendtrans-63.8-31.6174.7176.70000111.3
480C55.4Low68.3Low100 Ų100107.9 Ų107.968%0.67658%0.578SS**SBendtrans-133.8131173.1-175.60000108L478L478-C480 VanDerWaalsContact CB-O 3.25Å; L478-C480 WeakPolarHBondContact CB-O 3.25Å; L478-C480 PolarHBondContact O-N 3.29Å
481S60.1Low68.6Low63 Ų63108.9 Ų108.944%0.44157%0.571SS.*  trans-66.7144.6174.7450000110.3
482I64.5Low69.1Low107 Ų107111.9 Ų111.955%0.54958%0.58SS.*  trans-104.2110.8174-59.8171.7000106.2L478 L484L478-I482 HydrophobicContact CD1-CD1 4.1Å; L478-I482 HydrophobicContact CD1-CG1 4.24Å; I482-L484 PolarHBondContact O-N 3.25Å
483P67.3Low70.1Confident99 Ų99108.3 Ų108.364%0.64356%0.564SS**PPolyproline II helixtrans-69.2128.6176.927.8-32.4000109.5
484L68.7Low70.9Confident77 Ų77108.3 Ų108.340%0.40356%0.563SS.*PPolyproline II helixtrans-100.6122.4173.9-160.281.1000109.6I482 V486 I514I482-L484 PolarHBondContact O-N 3.25Å; L484-V486 HydrophobicContact CD2-CG1 3.86Å; L484-V486 HydrophobicContact CG-CG1 4.49Å; L484-V486 PolarHBondContact O-N 3.22Å; L484-I514 HydrophobicContact CB-CB 3.98Å; L484-I514 HydrophobicContact CD2-CD1 4.37Å
485E72.3Confident71.9Confident199 Ų199104 Ų10493%0.9354%0.544SS*.PPolyproline II helixtrans-76.7116.5168.8-66.7-174.3177.100109.4
486V76.5Confident73.2Confident51 Ų51107 Ų10731%0.30955%0.551SS.*  trans-124.3138178.1-920000110.2L484 H490 I494 I514L484-V486 HydrophobicContact CD2-CG1 3.86Å; L484-V486 HydrophobicContact CG-CG1 4.49Å; L484-V486 PolarHBondContact O-N 3.22Å; V486-H490 HydrophobicContact CB-CB 4.25Å; V486-H490 HydrophobicContact CG1-CB 4.09Å; V486-I494 HydrophobicContact CG1-CD1 4.13Å; V486-I514 HydrophobicContact CB-CD1 4.32Å; V486-I514 HydrophobicContact CG1-CD1 3.96Å; V486-I514 HydrophobicContact CG2-CD1 3.46Å; V486-I514 VanDerWaalsContact CG2-CD1 3.46Å; V486-I514 HydrophobicContact CG2-CG1 4.18Å
487S81.1Confident74.5Confident59 Ų59102.3 Ų102.341%0.41353%0.531SS..  trans-62.8156.9170.668.40000110.8Y489 H490 R491S487-Y489 PolarHBondContact O-N 3.22Å; S487-H490 PolarHBondContact O-N 3.47Å; S487-H490 VanDerWaalsContact O-N 3.09Å; S487-H490 PolarHBondContact OG-N 2.65Å; S487-H490 PolarHBondContact OG-ND1 3.16Å; S487-R491 PolarHBondContact O-N 3.08Å
488A81.7Confident75.6Confident85 Ų8594.8 Ų94.870%0.70251%0.508SS*.Hα-helixtrans-55.3-38.2176.800000112.4R491 E492A488-R491 PolarHBondContact O-N 3.26Å; A488-E492 PolarHBondContact O-N 2.93Å
489Y84.4Confident76.8Confident173 Ų17395.2 Ų95.268%0.67851%0.51SS*.Hα-helixtrans-61.2-48.9174.7175.9-101.7000112.3S487 R491 E492 V493S487-Y489 PolarHBondContact O-N 3.22Å; Y489-R491 VanDerWaalsContact C-N 3.31Å; Y489-R491 PolarHBondContact O-N 2.96Å; Y489-E492 PolarHBondContact O-N 2.91Å; Y489-V493 HydrophobicContact CE1-CG2 4.09Å; Y489-V493 HydrophobicContact CE2-CG2 4.37Å; Y489-V493 WeakPolarHBondContact O-CG2 3.17Å; Y489-V493 PolarHBondContact O-N 3.44Å; Y489-V493 VanDerWaalsContact O-N 3.1Å
490H82.2Confident77.6Confident101 Ų10192 Ų9247%0.46848%0.484SS..Hα-helixtrans-65.7-35.9177.9-68.2149.1000112.1V486 S487 E492 V493 I494V486-H490 HydrophobicContact CB-CB 4.25Å; V486-H490 HydrophobicContact CG1-CB 4.09Å; S487-H490 PolarHBondContact O-N 3.47Å; S487-H490 VanDerWaalsContact O-N 3.09Å; S487-H490 PolarHBondContact OG-N 2.65Å; S487-H490 PolarHBondContact OG-ND1 3.16Å; H490-E492 VanDerWaalsContact C-N 3.32Å; H490-E492 PolarHBondContact O-N 3Å; H490-V493 PolarHBondContact O-N 3.37Å; H490-I494 WeakPolarHBondContact O-CB 3.46Å; H490-I494 WeakPolarHBondContact O-CD1 3.45Å; H490-I494 WeakPolarHBondContact O-CG1 3.4Å; H490-I494 PolarHBondContact O-N 2.98Å
491R81.9Confident78.7Confident116 Ų11689.8 Ų89.844%0.43846%0.464SS..Hα-helixtrans-59-44.7174.6-175.7178.1-178.6152.93.2111.5S487 A488 Y489 I494 M495 F510S487-R491 PolarHBondContact O-N 3.08Å; A488-R491 PolarHBondContact O-N 3.26Å; Y489-R491 VanDerWaalsContact C-N 3.31Å; Y489-R491 PolarHBondContact O-N 2.96Å; R491-I494 PolarHBondContact O-N 3.09Å; R491-M495 HydrophobicContact CG-SD 4.31Å; R491-M495 WeakPolarHBondContact O-CG 3.44Å; R491-M495 PolarHBondContact O-N 2.63Å; R491-F510 HydrophobicContact CG-CD1 4.45Å; R491-F510 HydrophobicContact CG-CE1 4.13Å
492E84.2Confident79.4Confident93 Ų9390.4 Ų90.444%0.43547%0.465SS..Hα-helixtrans-62.6-47177.2-175.457.4-149.100111.6A488 Y489 H490 I494 M495 Q496A488-E492 PolarHBondContact O-N 2.93Å; Y489-E492 PolarHBondContact O-N 2.91Å; H490-E492 VanDerWaalsContact C-N 3.32Å; H490-E492 PolarHBondContact O-N 3Å; E492-I494 PolarHBondContact O-N 3.22Å; E492-M495 PolarHBondContact O-N 2.75Å; E492-M495 VanDerWaalsContact O-N 3.15Å; E492-Q496 WeakPolarHBondContact O-CG 3.46Å; E492-Q496 PolarHBondContact O-N 3.17Å; E492-Q496 PolarHBondContact OE1-NE2 3.47Å
493V86.6Confident79.8Confident53 Ų5389.8 Ų89.832%0.32146%0.458SS..Hα-helixtrans-58.4-39.5176173.60000111.5Y489 H490 N497Y489-V493 HydrophobicContact CE1-CG2 4.09Å; Y489-V493 HydrophobicContact CE2-CG2 4.37Å; Y489-V493 WeakPolarHBondContact O-CG2 3.17Å; Y489-V493 PolarHBondContact O-N 3.44Å; Y489-V493 VanDerWaalsContact O-N 3.1Å; H490-V493 PolarHBondContact O-N 3.37Å; V493-N497 PolarHBondContact O-N 3.48Å; V493-N497 PolarHBondContact O-ND2 2.79Å
494I83.8Confident79.9Confident16 Ų1687.1 Ų87.18%0.08244%0.438CS..Hα-helixtrans-67.2-43.6177.8-71.4169.6000111.2V486 H490 R491 E492 Q496 N497 L498 F501 I508 F510 I514V486-I494 HydrophobicContact CG1-CD1 4.13Å; H490-I494 WeakPolarHBondContact O-CB 3.46Å; H490-I494 WeakPolarHBondContact O-CD1 3.45Å; H490-I494 WeakPolarHBondContact O-CG1 3.4Å; H490-I494 PolarHBondContact O-N 2.98Å; R491-I494 PolarHBondContact O-N 3.09Å; E492-I494 PolarHBondContact O-N 3.22Å; I494-Q496 VanDerWaalsContact C-N 3.34Å; I494-Q496 PolarHBondContact O-N 2.8Å; I494-N497 CarbonylContact O-C 3.4Å; I494-N497 PolarHBondContact O-N 2.66Å; I494-L498 WeakPolarHBondContact O-CA 3.04Å; I494-L498 PolarHBondContact O-N 2.67Å; I494-L498 VanDerWaalsContact O-N 3.1Å; I494-F501 HydrophobicContact CB-CE2 4.15Å; I494-F501 HydrophobicContact CB-CZ 4.46Å; I494-F501 HydrophobicContact CG1-CE1 4.48Å; I494-F501 HydrophobicContact CG1-CE2 3.88Å; I494-F501 HydrophobicContact CG1-CZ 3.71Å; I494-F501 HydrophobicContact CG2-CD2 4.26Å; I494-F501 HydrophobicContact CG2-CE2 4.16Å; I494-I508 HydrophobicContact CG2-CD1 3.28Å; I494-I508 HydrophobicContact CG2-CG2 4.41Å; I494-F510 HydrophobicContact CG2-CZ 4.26Å; I494-I514 HydrophobicContact CD1-CD1 3.49Å; I494-I514 VanDerWaalsContact CD1-CD1 3.49Å
495M83.6Confident79.9Confident94 Ų9483.5 Ų83.546%0.46342%0.42SS..Hα-helixtrans-62.1-42176.6-74.7-179.961.100111.8R491 E492 N497 F510R491-M495 HydrophobicContact CG-SD 4.31Å; R491-M495 WeakPolarHBondContact O-CG 3.44Å; R491-M495 PolarHBondContact O-N 2.63Å; E492-M495 PolarHBondContact O-N 2.75Å; E492-M495 VanDerWaalsContact O-N 3.15Å; M495-N497 VanDerWaalsContact C-N 3.25Å; M495-N497 PolarHBondContact O-N 3.23Å; M495-F510 HydrophobicContact CG-CE1 3.8Å; M495-F510 HydrophobicContact CG-CE2 4.19Å; M495-F510 HydrophobicContact CG-CZ 3.47Å; M495-F510 VanDerWaalsContact CG-CZ 3.47Å; M495-F510 HydrophobicContact SD-CE1 4.4Å; M495-F510 HydrophobicContact SD-CZ 4.47Å
496Q87.9Confident79.9Confident127 Ų12775.4 Ų75.459%0.59338%0.381SS*.Hα-helixtrans-66.7-23.9178.1-70.7176.76.400113.7E492 I494E492-Q496 WeakPolarHBondContact O-CG 3.46Å; E492-Q496 PolarHBondContact O-N 3.17Å; E492-Q496 PolarHBondContact OE1-NE2 3.47Å; I494-Q496 VanDerWaalsContact C-N 3.34Å; I494-Q496 PolarHBondContact O-N 2.8Å
497N86.6Confident79.5Confident71 Ų7174.9 Ų74.938%0.3838%0.383SS..THydrogen-bonded Turntrans-117.523.2-175.8-66.8-90.5000112.6V493 I494 M495 D499 Q500 F501V493-N497 PolarHBondContact O-N 3.48Å; V493-N497 PolarHBondContact O-ND2 2.79Å; I494-N497 CarbonylContact O-C 3.4Å; I494-N497 PolarHBondContact O-N 2.66Å; M495-N497 VanDerWaalsContact C-N 3.25Å; M495-N497 PolarHBondContact O-N 3.23Å; N497-D499 VanDerWaalsContact C-N 3.26Å; N497-D499 PolarHBondContact O-N 3.03Å; N497-Q500 HydrophobicContact CB-CB 4.44Å; N497-Q500 WeakPolarHBondContact O-CA 2.85Å; N497-Q500 VanDerWaalsContact O-CB 3.32Å; N497-Q500 WeakPolarHBondContact O-CB 3.43Å; N497-Q500 PolarHBondContact O-N 3.11Å; N497-F501 HydrophobicContact CB-CD2 4.34Å; N497-F501 HydrophobicContact CB-CE2 4.18Å; N497-F501 VanDerWaalsContact O-CD2 3.25Å; N497-F501 WeakPolarHBondContact O-CD2 3.28Å; N497-F501 PolarHBondContact O-N 3.45Å; N497-F501 VanDerWaalsContact O-N 3.11Å
498L82Confident79.1Confident68 Ų6873.6 Ų73.636%0.35637%0.371SS..Hα-helixtrans-59.2-36.5-170.3-170.2138.6000112.8I494 Q500 F501 V502 F510I494-L498 WeakPolarHBondContact O-CA 3.04Å; I494-L498 PolarHBondContact O-N 2.67Å; I494-L498 VanDerWaalsContact O-N 3.1Å; L498-Q500 VanDerWaalsContact C-N 3.29Å; L498-Q500 PolarHBondContact O-N 3.41Å; L498-F501 WeakPolarHBondContact O-CB 3.35Å; L498-F501 PolarHBondContact O-N 2.82Å; L498-V502 HydrophobicContact CD2-CG2 4.07Å; L498-V502 WeakPolarHBondContact O-CG2 3.49Å; L498-V502 PolarHBondContact O-N 2.8Å; L498-F510 HydrophobicContact CD1-CE2 3.72Å; L498-F510 HydrophobicContact CD1-CZ 4.2Å
499D81.6Confident78.6Confident87 Ų8773 Ų7347%0.46536%0.356SS..Hα-helixtrans-61.3-38.2175.273.9-54.5000111.8N497 V502 K503N497-D499 VanDerWaalsContact C-N 3.26Å; N497-D499 PolarHBondContact O-N 3.03Å; D499-V502 PolarHBondContact O-N 2.91Å; D499-K503 WeakPolarHBondContact O-CB 3.08Å; D499-K503 VanDerWaalsContact O-CG 3.25Å; D499-K503 WeakPolarHBondContact O-CG 3.16Å; D499-K503 PolarHBondContact O-N 2.76Å; D499-K503 IonicContact OD2-NZ 3.48Å; D499-K503 PolarHBondContact OD2-NZ 3.09Å
500Q77.5Confident78Confident92 Ų9267.9 Ų67.943%0.4334%0.337SS..Hα-helixtrans-69.6-37.5176.3-169.861.213.600111.3N497 L498 N504N497-Q500 HydrophobicContact CB-CB 4.44Å; N497-Q500 WeakPolarHBondContact O-CA 2.85Å; N497-Q500 VanDerWaalsContact O-CB 3.32Å; N497-Q500 WeakPolarHBondContact O-CB 3.43Å; N497-Q500 PolarHBondContact O-N 3.11Å; L498-Q500 VanDerWaalsContact C-N 3.29Å; L498-Q500 PolarHBondContact O-N 3.41Å; Q500-N504 PolarHBondContact NE2-ND2 2.84Å; Q500-N504 VanDerWaalsContact NE2-ND2 3.16Å; Q500-N504 WeakPolarHBondContact O-CB 2.95Å; Q500-N504 PolarHBondContact O-N 2.97Å; Q500-N504 VanDerWaalsContact O-N 3.09Å; Q500-N504 PolarHBondContact O-ND2 3.29Å
501F77.2Confident77.2Confident55 Ų5567.4 Ų67.424%0.24135%0.345CS..Hα-helixtrans-62-47.6172.3-80.2-82.2000111.3I494 N497 L498 K503 N504 G505 F506 I508I494-F501 HydrophobicContact CB-CE2 4.15Å; I494-F501 HydrophobicContact CB-CZ 4.46Å; I494-F501 HydrophobicContact CG1-CE1 4.48Å; I494-F501 HydrophobicContact CG1-CE2 3.88Å; I494-F501 HydrophobicContact CG1-CZ 3.71Å; I494-F501 HydrophobicContact CG2-CD2 4.26Å; I494-F501 HydrophobicContact CG2-CE2 4.16Å; N497-F501 HydrophobicContact CB-CD2 4.34Å; N497-F501 HydrophobicContact CB-CE2 4.18Å; N497-F501 VanDerWaalsContact O-CD2 3.25Å; N497-F501 WeakPolarHBondContact O-CD2 3.28Å; N497-F501 PolarHBondContact O-N 3.45Å; N497-F501 VanDerWaalsContact O-N 3.11Å; L498-F501 WeakPolarHBondContact O-CB 3.35Å; L498-F501 PolarHBondContact O-N 2.82Å; F501-K503 PolarHBondContact O-N 2.92Å; F501-N504 CarbonylContact O-C 3.57Å; F501-N504 PolarHBondContact O-N 3.44Å; F501-N504 VanDerWaalsContact O-N 3.14Å; F501-G505 PolarHBondContact O-N 2.69Å; F501-F506 HydrophobicContact CB-CB 4.01Å; F501-F506 HydrophobicContact CD1-CB 4.11Å; F501-F506 HydrophobicContact CD1-CD1 4.5Å; F501-F506 AromaticContact CD1-CD2 3.92Å; F501-F506 HydrophobicContact CD1-CD2 3.92Å; F501-F506 HydrophobicContact CD1-CE2 4.44Å; F501-F506 AromaticContact CD1-CG 3.95Å; F501-F506 HydrophobicContact CD1-CG 3.95Å; F501-F506 WeakPolarHBondContact O-CB 3.26Å; F501-F506 WeakPolarHBondContact O-CD2 3.34Å; F501-F506 PolarHBondContact O-N 3.31Å; F501-I508 HydrophobicContact CB-CD1 3.86Å; F501-I508 HydrophobicContact CD1-CD1 3.91Å; F501-I508 HydrophobicContact CD2-CD1 4.26Å; F501-I508 HydrophobicContact CG-CD1 3.74Å
502V75.7Confident76Confident76 Ų7668 Ų6846%0.46136%0.357SS..Hα-helixtrans-61.9-45.2177.91740000111.7L498 D499 N504 G505 F506L498-V502 HydrophobicContact CD2-CG2 4.07Å; L498-V502 WeakPolarHBondContact O-CG2 3.49Å; L498-V502 PolarHBondContact O-N 2.8Å; D499-V502 PolarHBondContact O-N 2.91Å; V502-N504 PolarHBondContact O-N 2.87Å; V502-G505 PolarHBondContact O-N 2.82Å; V502-F506 WeakPolarHBondContact CA-O 3.5Å
503K72.6Confident74.7Confident93 Ų9364.8 Ų64.840%0.40435%0.349SS..Hα-helixtrans-56.3-37.8174.8-75.7165.7-175.2156.30112.2V473 D499 F501 G505V473-K503 PolarHBondContact N-O 3.05Å; V473-K503 VanDerWaalsContact N-O 3.16Å; D499-K503 WeakPolarHBondContact O-CB 3.08Å; D499-K503 VanDerWaalsContact O-CG 3.25Å; D499-K503 WeakPolarHBondContact O-CG 3.16Å; D499-K503 PolarHBondContact O-N 2.76Å; D499-K503 IonicContact OD2-NZ 3.48Å; D499-K503 PolarHBondContact OD2-NZ 3.09Å; F501-K503 PolarHBondContact O-N 2.92Å; K503-G505 PolarHBondContact O-N 3.04Å
504N70Confident73.2Confident44 Ų4462.8 Ų62.824%0.23534%0.336CS..THydrogen-bonded Turntrans-83.37.4177.4-73-71.4000114.1Q500 F501 V502 F506Q500-N504 PolarHBondContact NE2-ND2 2.84Å; Q500-N504 VanDerWaalsContact NE2-ND2 3.16Å; Q500-N504 WeakPolarHBondContact O-CB 2.95Å; Q500-N504 PolarHBondContact O-N 2.97Å; Q500-N504 VanDerWaalsContact O-N 3.09Å; Q500-N504 PolarHBondContact O-ND2 3.29Å; F501-N504 CarbonylContact O-C 3.57Å; F501-N504 PolarHBondContact O-N 3.44Å; F501-N504 VanDerWaalsContact O-N 3.14Å; V502-N504 PolarHBondContact O-N 2.87Å; N504-F506 HydrophobicContact CB-CD2 3.82Å; N504-F506 HydrophobicContact CB-CE2 3.8Å
505G67.9Low71.8Confident1 Ų163 Ų631%0.0134%0.339CS..THydrogen-bonded Turntrans83.919.5173.900000114.6V473 S475 F501 V502 K503 H517V473-G505 WeakPolarHBondContact O-CA 3.35Å; S475-G505 WeakPolarHBondContact CB-O 2.77Å; F501-G505 PolarHBondContact O-N 2.69Å; V502-G505 PolarHBondContact O-N 2.82Å; K503-G505 PolarHBondContact O-N 3.04Å; G505-H517 VanDerWaalsContact O-CB 3.32Å; G505-H517 WeakPolarHBondContact O-CB 3.21Å
506F71.9Confident70.4Confident28 Ų2863.2 Ų63.212%0.12334%0.34CS..  trans-91.9139.4172.6-60.7-93.8000110.1F501 V502 N504 I508 M516 R518F501-F506 HydrophobicContact CB-CB 4.01Å; F501-F506 HydrophobicContact CD1-CB 4.11Å; F501-F506 HydrophobicContact CD1-CD1 4.5Å; F501-F506 AromaticContact CD1-CD2 3.92Å; F501-F506 HydrophobicContact CD1-CD2 3.92Å; F501-F506 HydrophobicContact CD1-CE2 4.44Å; F501-F506 AromaticContact CD1-CG 3.95Å; F501-F506 HydrophobicContact CD1-CG 3.95Å; F501-F506 WeakPolarHBondContact O-CB 3.26Å; F501-F506 WeakPolarHBondContact O-CD2 3.34Å; F501-F506 PolarHBondContact O-N 3.31Å; V502-F506 WeakPolarHBondContact CA-O 3.5Å; N504-F506 HydrophobicContact CB-CD2 3.82Å; N504-F506 HydrophobicContact CB-CE2 3.8Å; F506-I508 HydrophobicContact CB-CG1 4.5Å; F506-M516 HydrophobicContact CD1-CG 3.76Å; F506-M516 HydrophobicContact CE1-CG 3.57Å; F506-M516 HydrophobicContact CE1-SD 4.29Å; F506-R518 HydrophobicContact CE1-CB 4.14Å; F506-R518 HydrophobicContact CZ-CB 4.09Å; F506-R518 HydrophobicContact CZ-CG 4.34Å
507A69.5Low69Low41 Ų4158.2 Ų58.234%0.33932%0.316SS..EExtended strand (participates in β ladder)trans-118.8114.8171.300000107.5V515A507-V515 CarbonylContact O-C 3.58Å
508I71.5Confident67.6Low31 Ų3160.7 Ų60.716%0.15932%0.32CS..EExtended strand (participates in β ladder)trans-106.9117-171.5-54.9-172.7000107.8I494 F501 F506 F510 I514I494-I508 HydrophobicContact CG2-CD1 3.28Å; I494-I508 HydrophobicContact CG2-CG2 4.41Å; F501-I508 HydrophobicContact CB-CD1 3.86Å; F501-I508 HydrophobicContact CD1-CD1 3.91Å; F501-I508 HydrophobicContact CD2-CD1 4.26Å; F501-I508 HydrophobicContact CG-CD1 3.74Å; F506-I508 HydrophobicContact CB-CG1 4.5Å; I508-F510 HydrophobicContact CG2-CD1 4.3Å; I508-F510 HydrophobicContact CG2-CD2 4.3Å; I508-F510 HydrophobicContact CG2-CE1 3.85Å; I508-F510 HydrophobicContact CG2-CE2 3.85Å; I508-F510 HydrophobicContact CG2-CZ 3.61Å; I508-I514 HydrophobicContact CD1-CG2 4.24Å; I508-I514 HydrophobicContact CG1-CG2 4.04Å; I508-I514 HydrophobicContact CG2-CB 4.28Å; I508-I514 HydrophobicContact CG2-CG1 3.93Å; I508-I514 HydrophobicContact CG2-CG2 4.05Å
509D72.5Confident66.4Low74 Ų7459.5 Ų59.540%0.39632%0.317SS..  trans-102132.2168.3-160.9-18.9000108.7S511 G513D509-S511 PolarHBondContact OD1-N 3.48Å; D509-S511 VanDerWaalsContact OD1-N 3.09Å; D509-S511 PolarHBondContact OD1-OG 3.41Å; D509-G513 CarbonylContact O-C 3.09Å
510F71.3Confident65.1Low64 Ų6460.4 Ų60.428%0.28134%0.336SS..SBendtrans-98.5-6.4-178.9-68.3-77000112.8R491 I494 M495 L498 I508R491-F510 HydrophobicContact CG-CD1 4.45Å; R491-F510 HydrophobicContact CG-CE1 4.13Å; I494-F510 HydrophobicContact CG2-CZ 4.26Å; M495-F510 HydrophobicContact CG-CE1 3.8Å; M495-F510 HydrophobicContact CG-CE2 4.19Å; M495-F510 HydrophobicContact CG-CZ 3.47Å; M495-F510 VanDerWaalsContact CG-CZ 3.47Å; M495-F510 HydrophobicContact SD-CE1 4.4Å; M495-F510 HydrophobicContact SD-CZ 4.47Å; L498-F510 HydrophobicContact CD1-CE2 3.72Å; L498-F510 HydrophobicContact CD1-CZ 4.2Å; I508-F510 HydrophobicContact CG2-CD1 4.3Å; I508-F510 HydrophobicContact CG2-CD2 4.3Å; I508-F510 HydrophobicContact CG2-CE1 3.85Å; I508-F510 HydrophobicContact CG2-CE2 3.85Å; I508-F510 HydrophobicContact CG2-CZ 3.61Å
511S64.4Low64.5Low91 Ų9162.5 Ų62.564%0.63634%0.344SS*.SBendtrans-82.6-38.6173.854.10000113D509D509-S511 PolarHBondContact OD1-N 3.48Å; D509-S511 VanDerWaalsContact OD1-N 3.09Å; D509-S511 PolarHBondContact OD1-OG 3.41Å
512D56.5Low64Low128 Ų12860.4 Ų60.468%0.68434%0.335SS*.SBendtrans-11916.6-174.3-72.6-31.6000114
513G57.1Low63.6Low26 Ų2663.6 Ų63.627%0.26834%0.343SS..  trans88.2162.5-178.200000114D509 V515D509-G513 CarbonylContact O-C 3.09Å; G513-V515 PolarHBondContact O-N 3.28Å
514I55.6Low63.2Low11 Ų1163.6 Ų63.66%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-69.9119.7-172.7-55.3-176.8000110.6L484 V486 I494 I508L484-I514 HydrophobicContact CB-CB 3.98Å; L484-I514 HydrophobicContact CD2-CD1 4.37Å; V486-I514 HydrophobicContact CB-CD1 4.32Å; V486-I514 HydrophobicContact CG1-CD1 3.96Å; V486-I514 HydrophobicContact CG2-CD1 3.46Å; V486-I514 VanDerWaalsContact CG2-CD1 3.46Å; V486-I514 HydrophobicContact CG2-CG1 4.18Å; I494-I514 HydrophobicContact CD1-CD1 3.49Å; I494-I514 VanDerWaalsContact CD1-CD1 3.49Å; I508-I514 HydrophobicContact CD1-CG2 4.24Å; I508-I514 HydrophobicContact CG1-CG2 4.04Å; I508-I514 HydrophobicContact CG2-CB 4.28Å; I508-I514 HydrophobicContact CG2-CG1 3.93Å; I508-I514 HydrophobicContact CG2-CG2 4.05Å
515V54.1Low63.3Low22 Ų2264.8 Ų64.813%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-91.9121.8177-162.60000111.2A507 G513 H517A507-V515 CarbonylContact O-C 3.58Å; G513-V515 PolarHBondContact O-N 3.28Å; V515-H517 VanDerWaalsContact CG1-CE1 3.44Å; V515-H517 WeakPolarHBondContact CG1-CE1 3.29Å; V515-H517 WeakPolarHBondContact CG1-NE2 3.44Å
516M55.7Low63.7Low97 Ų9765.5 Ų65.548%0.47836%0.356SS..PPolyproline II helixtrans-95.4117.6-176.3-130.3-176.779.400111.8L478 F506L478-M516 WeakPolarHBondContact CD1-O 3.4Å; F506-M516 HydrophobicContact CD1-CG 3.76Å; F506-M516 HydrophobicContact CE1-CG 3.57Å; F506-M516 HydrophobicContact CE1-SD 4.29Å
517H57.9Low63.5Low22 Ų2265.9 Ų65.910%0.10236%0.364CS..  trans-120.432.5-175.8-64.1-70.7000114.7Q476 G505 V515 P519Q476-H517 PolarHBondContact O-ND1 3.07Å; G505-H517 VanDerWaalsContact O-CB 3.32Å; G505-H517 WeakPolarHBondContact O-CB 3.21Å; V515-H517 VanDerWaalsContact CG1-CE1 3.44Å; V515-H517 WeakPolarHBondContact CG1-CE1 3.29Å; V515-H517 WeakPolarHBondContact CG1-NE2 3.44Å; H517-P519 WeakPolarHBondContact O-CD 3.24Å
518R57.7Low63.6Low123 Ų12366.9 Ų66.946%0.46437%0.368SS..  trans-80.2128.3-175.1-166.9-178.3-175.1137.88.9112.4F506 A520F506-R518 HydrophobicContact CE1-CB 4.14Å; F506-R518 HydrophobicContact CZ-CB 4.09Å; F506-R518 HydrophobicContact CZ-CG 4.34Å; R518-A520 PolarHBondContact O-N 3.23Å
519P56.3Low63.9Low44 Ų4470.2 Ų70.229%0.28638%0.381SS..  trans-63.6128.4163.4-17.129.9000110.1V473 H517 K521 L522V473-P519 HydrophobicContact CG1-CG 3.96Å; H517-P519 WeakPolarHBondContact O-CD 3.24Å; P519-K521 PolarHBondContact O-N 2.99Å; P519-L522 HydrophobicContact CB-CD1 4.41Å; P519-L522 HydrophobicContact CG-CD1 4.04Å
520A54.3Low64.2Low105 Ų10566.7 Ų66.787%0.86836%0.363SS*.THydrogen-bonded Turntrans-59.5-5.7-176.300000115.4R518R518-A520 PolarHBondContact O-N 3.23Å
521K64.2Low64.3Low136 Ų13666 Ų6659%0.59137%0.365SS*.THydrogen-bonded Turntrans-138.834.3-168.8-62.4-171.1179.6-178.60114.2P519 K523 D524 I525P519-K521 PolarHBondContact O-N 2.99Å; K521-K523 VanDerWaalsContact C-N 3.29Å; K521-K523 PolarHBondContact O-N 2.87Å; K521-D524 HydrophobicContact CB-CB 4.17Å; K521-D524 PolarHBondContact O-N 3.27Å; K521-D524 VanDerWaalsContact O-N 3.11Å; K521-I525 WeakPolarHBondContact O-CG1 2.79Å; K521-I525 PolarHBondContact O-N 3.35Å
522L67.2Low64.8Low11 Ų1170.8 Ų70.86%0.05837%0.369CS..Hα-helixtrans-55.1-42.7-177.5-149.688.4000113.4V473 P519 D524 I525 F526V473-L522 HydrophobicContact CB-CD1 4.13Å; V473-L522 HydrophobicContact CG1-CD1 3.51Å; V473-L522 HydrophobicContact CG2-CD1 3.44Å; V473-L522 VanDerWaalsContact CG2-CD1 3.44Å; V473-L522 HydrophobicContact CG2-CD2 3.75Å; V473-L522 HydrophobicContact CG2-CG 4.08Å; P519-L522 HydrophobicContact CB-CD1 4.41Å; P519-L522 HydrophobicContact CG-CD1 4.04Å; L522-D524 PolarHBondContact O-N 3.19Å; L522-I525 PolarHBondContact O-N 3.04Å; L522-F526 HydrophobicContact CD2-CD2 4.28Å; L522-F526 HydrophobicContact CD2-CE2 3.39Å; L522-F526 HydrophobicContact CD2-CZ 3.56Å; L522-F526 HydrophobicContact CG-CD2 4.45Å; L522-F526 HydrophobicContact CG-CE1 4.35Å; L522-F526 HydrophobicContact CG-CE2 3.87Å; L522-F526 HydrophobicContact CG-CZ 3.81Å; L522-F526 WeakPolarHBondContact O-CG 3.3Å; L522-F526 PolarHBondContact O-N 2.67Å
523K66.6Low65.9Low144 Ų14471.7 Ų71.763%0.62637%0.367SS*.Hα-helixtrans-61.6-44177.2-68.7-175.3178.1-179.50111.6K521 I525 F526 A527K521-K523 VanDerWaalsContact C-N 3.29Å; K521-K523 PolarHBondContact O-N 2.87Å; K523-I525 VanDerWaalsContact C-N 3.29Å; K523-I525 PolarHBondContact O-N 2.95Å; K523-F526 PolarHBondContact O-N 3.09Å; K523-A527 VanDerWaalsContact O-CB 3.31Å; K523-A527 WeakPolarHBondContact O-CB 3.32Å; K523-A527 PolarHBondContact O-N 2.89Å
524D65.9Low66.9Low93 Ų9370.8 Ų70.850%0.49736%0.357SS..Hα-helixtrans-64.5-37178.2-55.9-21000111.3K521 L522 S528K521-D524 HydrophobicContact CB-CB 4.17Å; K521-D524 PolarHBondContact O-N 3.27Å; K521-D524 VanDerWaalsContact O-N 3.11Å; L522-D524 PolarHBondContact O-N 3.19Å; D524-S528 WeakPolarHBondContact O-CB 3.46Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 2.84Å
525I70.6Confident68Low68 Ų6871.9 Ų71.935%0.34936%0.364SS..Hα-helixtrans-64.8-47.7176.3-66.4166.1000110.3K521 L522 K523 S528 K529K521-I525 WeakPolarHBondContact O-CG1 2.79Å; K521-I525 PolarHBondContact O-N 3.35Å; L522-I525 PolarHBondContact O-N 3.04Å; K523-I525 VanDerWaalsContact C-N 3.29Å; K523-I525 PolarHBondContact O-N 2.95Å; I525-S528 PolarHBondContact O-N 3.44Å; I525-K529 HydrophobicContact CG2-CD 4.26Å; I525-K529 WeakPolarHBondContact O-CB 3.42Å; I525-K529 WeakPolarHBondContact O-CG 3Å; I525-K529 PolarHBondContact O-N 2.74Å
526F76.9Confident69.2Low17 Ų1776.3 Ų76.38%0.07539%0.385CS..Hα-helixtrans-65.8-43.9178.4-65.5-18.9000111.9Y464 A471 V473 L522 K523 S528 K529 A530Y464-F526 HydrophobicContact CD2-CB 3.97Å; Y464-F526 HydrophobicContact CE2-CB 3.7Å; A471-F526 HydrophobicContact CB-CD1 4.49Å; A471-F526 HydrophobicContact CB-CE1 3.59Å; A471-F526 HydrophobicContact CB-CZ 3.67Å; V473-F526 HydrophobicContact CG2-CZ 4.1Å; L522-F526 HydrophobicContact CD2-CD2 4.28Å; L522-F526 HydrophobicContact CD2-CE2 3.39Å; L522-F526 HydrophobicContact CD2-CZ 3.56Å; L522-F526 HydrophobicContact CG-CD2 4.45Å; L522-F526 HydrophobicContact CG-CE1 4.35Å; L522-F526 HydrophobicContact CG-CE2 3.87Å; L522-F526 HydrophobicContact CG-CZ 3.81Å; L522-F526 WeakPolarHBondContact O-CG 3.3Å; L522-F526 PolarHBondContact O-N 2.67Å; K523-F526 PolarHBondContact O-N 3.09Å; F526-S528 PolarHBondContact O-N 2.49Å; F526-K529 PolarHBondContact O-N 2.94Å; F526-A530 VanDerWaalsContact O-CB 3.26Å; F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 3.07Å
527A68.5Low70Confident36 Ų3677.6 Ų77.630%0.29839%0.392SS..Hα-helixtrans-59.3-47.3174.500000111.4Y464 K523 K529 A530 C531Y464-A527 HydrophobicContact CD2-CB 4.26Å; Y464-A527 HydrophobicContact CE2-CB 4.17Å; K523-A527 VanDerWaalsContact O-CB 3.31Å; K523-A527 WeakPolarHBondContact O-CB 3.32Å; K523-A527 PolarHBondContact O-N 2.89Å; A527-K529 VanDerWaalsContact C-N 3.33Å; A527-K529 PolarHBondContact O-N 3.39Å; A527-A530 PolarHBondContact O-N 3.32Å; A527-C531 WeakPolarHBondContact O-CB 3.27Å; A527-C531 PolarHBondContact O-N 3.03Å
528S71.6Confident71Confident61 Ų6178.6 Ų78.643%0.42741%0.409SS..Hα-helixtrans-66.2-33.1178.4-590000113D524 I525 F526 R532D524-S528 WeakPolarHBondContact O-CB 3.46Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 2.84Å; I525-S528 PolarHBondContact O-N 3.44Å; F526-S528 PolarHBondContact O-N 2.49Å; S528-R532 WeakPolarHBondContact O-CG 3.29Å; S528-R532 PolarHBondContact O-N 3.27Å; S528-R532 PolarHBondContact O-NE 3.42Å
529K76.9Confident72.1Confident101 Ų10175.7 Ų75.744%0.43940%0.404SS..Hα-helixtrans-73.7-39.7174.6-80.2-175.7177.1-176.80111.3L467 I525 F526 A527 K533L467-K529 HydrophobicContact CD1-CB 3.75Å; I525-K529 HydrophobicContact CG2-CD 4.26Å; I525-K529 WeakPolarHBondContact O-CB 3.42Å; I525-K529 WeakPolarHBondContact O-CG 3Å; I525-K529 PolarHBondContact O-N 2.74Å; F526-K529 PolarHBondContact O-N 2.94Å; A527-K529 VanDerWaalsContact C-N 3.33Å; A527-K529 PolarHBondContact O-N 3.39Å; K529-K533 WeakPolarHBondContact O-CG 3.06Å; K529-K533 PolarHBondContact O-N 2.78Å
530A80Confident73.4Confident0 Ų076.9 Ų76.90%042%0.418CS..Hα-helixtrans-61.8-54.9176.700000110.6E460 N463 L467 F526 A527 R532 K533 S534E460-A530 HydrophobicContact CG-CB 4.19Å; N463-A530 HydrophobicContact CB-CB 3.94Å; L467-A530 HydrophobicContact CD1-CB 4.23Å; F526-A530 VanDerWaalsContact O-CB 3.26Å; F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 3.07Å; A527-A530 PolarHBondContact O-N 3.32Å; A530-R532 VanDerWaalsContact C-N 3.27Å; A530-R532 PolarHBondContact O-N 2.78Å; A530-K533 PolarHBondContact O-N 3.35Å; A530-S534 PolarHBondContact O-N 3.26Å; A530-S534 PolarHBondContact O-OG 3.47Å
531C72Confident74.7Confident49 Ų4972.9 Ų72.933%0.33138%0.382SS..Hα-helixtrans-56.4-37.8-179.7-178.30000113.1E460 A527 K533 S534E460-C531 HydrophobicContact CG-CB 4.26Å; A527-C531 WeakPolarHBondContact O-CB 3.27Å; A527-C531 PolarHBondContact O-N 3.03Å; C531-K533 VanDerWaalsContact C-N 3.35Å; C531-K533 PolarHBondContact O-N 2.92Å; C531-S534 PolarHBondContact O-N 3.22Å
532R75.5Confident75.7Confident192 Ų19275.8 Ų75.873%0.72539%0.389SS*.Hα-helixtrans-73.3-22.3177.5-77.4-176.6-70.9-172.9-0.2114.6S528 A530S528-R532 WeakPolarHBondContact O-CG 3.29Å; S528-R532 PolarHBondContact O-N 3.27Å; S528-R532 PolarHBondContact O-NE 3.42Å; A530-R532 VanDerWaalsContact C-N 3.27Å; A530-R532 PolarHBondContact O-N 2.78Å
533K78.7Confident76.3Confident147 Ų14777.3 Ų77.364%0.63941%0.407SS*.Hα-helixtrans-92.9-11.9176.7-74.1-172.8173.6-1680112.5K529 A530 C531K529-K533 WeakPolarHBondContact O-CG 3.06Å; K529-K533 PolarHBondContact O-N 2.78Å; A530-K533 PolarHBondContact O-N 3.35Å; C531-K533 VanDerWaalsContact C-N 3.35Å; C531-K533 PolarHBondContact O-N 2.92Å
534S79.2Confident77Confident8 Ų876 Ų766%0.05641%0.407CS..SBendtrans-68.8148.9-175.6-62.60000113.6D459 E460 A530 C531 M536D459-S534 WeakPolarHBondContact OD2-CA 3.49Å; E460-S534 WeakPolarHBondContact CA-OG 3.36Å; E460-S534 WeakPolarHBondContact CB-OG 3.41Å; E460-S534 PolarHBondContact N-OG 3.01Å; E460-S534 VanDerWaalsContact N-OG 3.13Å; A530-S534 PolarHBondContact O-N 3.26Å; A530-S534 PolarHBondContact O-OG 3.47Å; C531-S534 PolarHBondContact O-N 3.22Å; S534-M536 PolarHBondContact O-N 2.96Å
535V79.1Confident77.7Confident33 Ų3375.4 Ų75.420%0.240%0.402CS..PPolyproline II helixtrans-55.4125.7166.9-179.90000109.7Q455 H456 D459 T539 M541Q455-V535 HydrophobicContact CG-CG1 4.34Å; H456-V535 PolarHBondContact ND1-O 2.96Å; D459-V535 HydrophobicContact CB-CB 4.47Å; D459-V535 HydrophobicContact CB-CG2 4.39Å; D459-V535 PolarHBondContact OD2-N 3.48Å; V535-T539 HydrophobicContact CG1-CG2 4.13Å; V535-M541 HydrophobicContact CG1-CG 4.38Å; V535-M541 HydrophobicContact CG1-SD 4.02Å; V535-M541 HydrophobicContact CG2-CE 4.43Å; V535-M541 HydrophobicContact CG2-SD 4.47Å
536M78.3Confident78.2Confident116 Ų11672.8 Ų72.857%0.57139%0.388SS*.PPolyproline II helixtrans-80.9148.3-179.3-64.8-61.9-67.200111.1Q455 S534 G538 T539Q455-M536 PolarHBondContact NE2-O 2.91Å; S534-M536 PolarHBondContact O-N 2.96Å; M536-G538 PolarHBondContact O-N 3.09Å; M536-T539 VanDerWaalsContact O-CB 3.28Å; M536-T539 WeakPolarHBondContact O-CB 3.35Å; M536-T539 PolarHBondContact O-N 3.09Å; M536-T539 VanDerWaalsContact O-N 3.1Å; M536-T539 PolarHBondContact O-OG1 3.24Å
537I71.9Confident78.2Confident123 Ų12379.1 Ų79.163%0.63142%0.415SS*.THydrogen-bonded Turntrans-57.1130167.9-59.1173.4000108.4H456H456-I537 HydrophobicContact CB-CG1 4.12Å
538G78.8Confident78.4Confident44 Ų4486.1 Ų86.145%0.45443%0.434SS..THydrogen-bonded Turntrans100-5.4-174.100000114.4L439 M536L439-G538 WeakPolarHBondContact O-CA 3.48Å; L439-G538 PolarHBondContact O-N 2.91Å; M536-G538 PolarHBondContact O-N 3.09Å
539T81.2Confident78.1Confident61 Ų6183.3 Ų83.337%0.37442%0.415SS..  trans-84.3120.5178.8-47.60000110.1Q436 Q455 V535 M536Q436-T539 PolarHBondContact NE2-O 2.88Å; Q455-T539 PolarHBondContact NE2-O 3.48Å; V535-T539 HydrophobicContact CG1-CG2 4.13Å; M536-T539 VanDerWaalsContact O-CB 3.28Å; M536-T539 WeakPolarHBondContact O-CB 3.35Å; M536-T539 PolarHBondContact O-N 3.09Å; M536-T539 VanDerWaalsContact O-N 3.1Å; M536-T539 PolarHBondContact O-OG1 3.24Å
540A83.7Confident77.5Confident70 Ų7081 Ų8158%0.57941%0.407SS*.  trans-69.6134.1170.700000110.5L439L439-A540 HydrophobicContact CD2-CB 3.82Å
541M82.9Confident76.7Confident21 Ų2181.9 Ų81.910%0.10341%0.411CS..  trans-117.9143.5179.8-66.4-179.672.400111Q436 I442 Q455 V535 E545 M546 V549Q436-M541 VanDerWaalsContact OE1-N 3.09Å; I442-M541 HydrophobicContact CD1-SD 4.43Å; Q455-M541 HydrophobicContact CB-SD 4.36Å; V535-M541 HydrophobicContact CG1-CG 4.38Å; V535-M541 HydrophobicContact CG1-SD 4.02Å; V535-M541 HydrophobicContact CG2-CE 4.43Å; V535-M541 HydrophobicContact CG2-SD 4.47Å; M541-E545 WeakPolarHBondContact CA-OE2 3.4Å; M541-E545 HydrophobicContact CB-CB 4.25Å; M541-E545 VanDerWaalsContact CE-C 3.41Å; M541-E545 HydrophobicContact CE-CB 3.77Å; M541-E545 VanDerWaalsContact CE-O 3.31Å; M541-E545 WeakPolarHBondContact CE-O 3.4Å; M541-M546 HydrophobicContact CB-CE 4.09Å; M541-M546 HydrophobicContact CB-CG 3.8Å; M541-M546 HydrophobicContact CE-CG 4.41Å; M541-M546 WeakPolarHBondContact O-CE 3.14Å; M541-V549 HydrophobicContact CE-CG2 3.66Å
542R84.4Confident75.9Confident196 Ų19681.5 Ų81.574%0.7441%0.406SS*.  trans-80159.1168.5-62.1-177.4-178.9-171.80.3110.4D544 E545 M546R542-D544 PolarHBondContact O-N 3.22Å; R542-E545 HydrophobicContact CB-CG 4.27Å; R542-E545 PolarHBondContact N-OE2 3.04Å; R542-E545 WeakPolarHBondContact O-CA 3.2Å; R542-E545 WeakPolarHBondContact O-CB 3.03Å; R542-E545 PolarHBondContact O-N 3.3Å; R542-M546 WeakPolarHBondContact O-CG 3.07Å; R542-M546 PolarHBondContact O-N 3.01Å
543G79.9Confident74.4Confident43 Ų4373.5 Ų73.544%0.44338%0.379SS..Hα-helixtrans-52.6-39.9179.400000113.6E545 M546 K547G543-E545 VanDerWaalsContact C-N 3.33Å; G543-E545 PolarHBondContact O-N 3.09Å; G543-M546 PolarHBondContact O-N 2.91Å; G543-K547 WeakPolarHBondContact O-CG 3.42Å; G543-K547 PolarHBondContact O-N 3.04Å
544D80.3Confident72.6Confident117 Ų11767.6 Ų67.663%0.62636%0.355SS*.Hα-helixtrans-68.3-30.9176.8-63.1-30.2000113.4R542R542-D544 PolarHBondContact O-N 3.22Å
545E81.5Confident70.6Confident80 Ų8073.6 Ų73.637%0.37438%0.382SS..Hα-helixtrans-73.6-39.6176.1-62.2176138.500110.2M541 R542 G543 K547 R548M541-E545 WeakPolarHBondContact CA-OE2 3.4Å; M541-E545 HydrophobicContact CB-CB 4.25Å; M541-E545 VanDerWaalsContact CE-C 3.41Å; M541-E545 HydrophobicContact CE-CB 3.77Å; M541-E545 VanDerWaalsContact CE-O 3.31Å; M541-E545 WeakPolarHBondContact CE-O 3.4Å; R542-E545 HydrophobicContact CB-CG 4.27Å; R542-E545 PolarHBondContact N-OE2 3.04Å; R542-E545 WeakPolarHBondContact O-CA 3.2Å; R542-E545 WeakPolarHBondContact O-CB 3.03Å; R542-E545 PolarHBondContact O-N 3.3Å; G543-E545 VanDerWaalsContact C-N 3.33Å; G543-E545 PolarHBondContact O-N 3.09Å; E545-K547 VanDerWaalsContact C-N 3.28Å; E545-K547 PolarHBondContact O-N 2.64Å; E545-R548 WeakPolarHBondContact O-CB 3.5Å; E545-R548 PolarHBondContact O-N 3.33Å; E545-R548 VanDerWaalsContact O-N 3.09Å
546M81.2Confident68.6Low13 Ų1376.2 Ų76.26%0.06442%0.415CS..Hα-helixtrans-62.8-35.1176.8-61.5-176.9-154.100111.8I433 Q436 I442 M541 R542 G543 R548 V549I433-M546 HydrophobicContact CD1-CB 3.69Å; I433-M546 HydrophobicContact CG2-CB 4.15Å; I433-M546 HydrophobicContact CG2-SD 3.65Å; Q436-M546 HydrophobicContact CB-CE 3.58Å; Q436-M546 HydrophobicContact CB-SD 4.33Å; I442-M546 HydrophobicContact CD1-CB 4.06Å; I442-M546 HydrophobicContact CD1-CG 4.16Å; I442-M546 HydrophobicContact CG1-CG 4.24Å; I442-M546 HydrophobicContact CG1-SD 4.4Å; I442-M546 HydrophobicContact CG2-CB 4.37Å; I442-M546 HydrophobicContact CG2-SD 4.14Å; M541-M546 HydrophobicContact CB-CE 4.09Å; M541-M546 HydrophobicContact CB-CG 3.8Å; M541-M546 HydrophobicContact CE-CG 4.41Å; M541-M546 WeakPolarHBondContact O-CE 3.14Å; R542-M546 WeakPolarHBondContact O-CG 3.07Å; R542-M546 PolarHBondContact O-N 3.01Å; G543-M546 PolarHBondContact O-N 2.91Å; M546-R548 PolarHBondContact O-N 2.85Å; M546-V549 WeakPolarHBondContact O-CB 3.36Å; M546-V549 PolarHBondContact O-N 2.85Å
547K76.8Confident67.2Low150 Ų15079.2 Ų79.265%0.65242%0.42SS*.THydrogen-bonded Turntrans-64.1-22.5174.9-73-179-178.5175.50114I433 G543 E545 V549I433-K547 HydrophobicContact CD1-CB 4.3Å; I433-K547 HydrophobicContact CD1-CG 3.57Å; G543-K547 WeakPolarHBondContact O-CG 3.42Å; G543-K547 PolarHBondContact O-N 3.04Å; E545-K547 VanDerWaalsContact C-N 3.28Å; E545-K547 PolarHBondContact O-N 2.64Å; K547-V549 VanDerWaalsContact C-N 3.34Å
548R71.5Confident66.4Low184 Ų18477.1 Ų77.169%0.69442%0.415SS*.THydrogen-bonded Turntrans-78.7-20.1178-64.9-178.8-168.5171.83.4112.9E545 M546 N550E545-R548 WeakPolarHBondContact O-CB 3.5Å; E545-R548 PolarHBondContact O-N 3.33Å; E545-R548 VanDerWaalsContact O-N 3.09Å; M546-R548 PolarHBondContact O-N 2.85Å; R548-N550 PolarHBondContact O-N 3.21Å; R548-N550 VanDerWaalsContact O-N 3.07Å
549V66.9Low65.9Low2 Ų275.5 Ų75.51%0.01240%0.396CS..SBendtrans-72.3103.9-179.8179.50000108.1I442 M541 M546 K547 F551I442-V549 HydrophobicContact CD1-CB 4.07Å; I442-V549 HydrophobicContact CD1-CG1 4.23Å; I442-V549 HydrophobicContact CD1-CG2 3.98Å; M541-V549 HydrophobicContact CE-CG2 3.66Å; M546-V549 WeakPolarHBondContact O-CB 3.36Å; M546-V549 PolarHBondContact O-N 2.85Å; K547-V549 VanDerWaalsContact C-N 3.34Å; V549-F551 HydrophobicContact CB-CE1 4.09Å; V549-F551 HydrophobicContact CG1-CD1 4.27Å; V549-F551 HydrophobicContact CG1-CE1 4.07Å; V549-F551 VanDerWaalsContact O-CD1 3.22Å; V549-F551 WeakPolarHBondContact O-CD1 3.27Å; V549-F551 WeakPolarHBondContact O-CE1 3.48Å; V549-F551 WeakPolarHBondContact O-CZ 3.39Å; V549-F551 PolarHBondContact O-N 3.06Å
550N64.3Low65.6Low53 Ų5372.7 Ų72.728%0.28338%0.379SS..  trans-71.6114.1-178.9-172.3-1.4000110.2Y462 R548 N552Y462-N550 HydrophobicContact CD2-CB 3.62Å; Y462-N550 HydrophobicContact CE2-CB 4.37Å; Y462-N550 HydrophobicContact CG-CB 4.29Å; R548-N550 PolarHBondContact O-N 3.21Å; R548-N550 VanDerWaalsContact O-N 3.07Å; N550-N552 PolarHBondContact O-N 3.08Å; N550-N552 WeakPolarHBondContact OD1-CB 3.24Å; N550-N552 PolarHBondContact OD1-N 2.81Å; N550-N552 PolarHBondContact OD1-ND2 2.85Å
551F62Low65.2Low18 Ų1874.5 Ų74.58%0.07938%0.375CS..  trans-76.6-0.9-174.7-50.7-51.9000114.5F428 I433 I442 T444 I453 V549 C553 V560F428-F551 HydrophobicContact CB-CB 4.15Å; F428-F551 HydrophobicContact CD1-CB 3.94Å; F428-F551 HydrophobicContact CG-CB 4.27Å; I433-F551 HydrophobicContact CD1-CZ 4.38Å; I442-F551 HydrophobicContact CD1-CE1 4.35Å; T444-F551 HydrophobicContact CG2-CZ 4.25Å; I453-F551 HydrophobicContact CB-CD1 4.46Å; I453-F551 HydrophobicContact CD1-CB 4.16Å; I453-F551 HydrophobicContact CD1-CD1 3.23Å; I453-F551 HydrophobicContact CD1-CD2 4.21Å; I453-F551 HydrophobicContact CD1-CE1 3.49Å; I453-F551 VanDerWaalsContact CD1-CE1 3.49Å; I453-F551 HydrophobicContact CD1-CE2 4.44Å; I453-F551 HydrophobicContact CD1-CG 3.6Å; I453-F551 HydrophobicContact CD1-CZ 4.11Å; I453-F551 HydrophobicContact CG1-CD1 4.37Å; I453-F551 HydrophobicContact CG2-CD1 3.69Å; I453-F551 HydrophobicContact CG2-CE1 4.03Å; V549-F551 HydrophobicContact CB-CE1 4.09Å; V549-F551 HydrophobicContact CG1-CD1 4.27Å; V549-F551 HydrophobicContact CG1-CE1 4.07Å; V549-F551 VanDerWaalsContact O-CD1 3.22Å; V549-F551 WeakPolarHBondContact O-CD1 3.27Å; V549-F551 WeakPolarHBondContact O-CE1 3.48Å; V549-F551 WeakPolarHBondContact O-CZ 3.39Å; V549-F551 PolarHBondContact O-N 3.06Å; F551-C553 PolarHBondContact O-N 2.84Å; F551-V560 HydrophobicContact CB-CG2 4.43Å
552N55Low65Low41 Ų4176.6 Ų76.622%0.21939%0.385CS..  trans-79.895.8-175.2-73.1-57.7000112.5R425 N550 P554R425-N552 PolarHBondContact O-OD1 3.16Å; N550-N552 PolarHBondContact O-N 3.08Å; N550-N552 WeakPolarHBondContact OD1-CB 3.24Å; N550-N552 PolarHBondContact OD1-N 2.81Å; N550-N552 PolarHBondContact OD1-ND2 2.85Å; N552-P554 WeakPolarHBondContact O-CD 3.37Å
553C45Very low64.9Low23 Ų2371.3 Ų71.316%0.15537%0.371CS..  trans-110.5108.8167.6-167.20000111.9F551 T559F551-C553 PolarHBondContact O-N 2.84Å; C553-T559 HydrophobicContact CB-CG2 4.01Å; C553-T559 VanDerWaalsContact CB-OG1 3.25Å; C553-T559 WeakPolarHBondContact CB-OG1 3.21Å
554P40.1Very low65Low23 Ų2371.3 Ų71.315%0.14937%0.367CS..  trans-894.517926.8-26000115.7T414 R425 N552T414-P554 HydrophobicContact CG2-CB 3.8Å; R425-P554 VanDerWaalsContact NH2-CB 3.28Å; N552-P554 WeakPolarHBondContact O-CD 3.37Å
555H37.8Very low65.1Low135 Ų13572 Ų7263%0.62537%0.365SS*.SBendtrans-144.295.7-173.8-56.998.5000113.2R557H555-R557 VanDerWaalsContact C-N 3.28Å; H555-R557 PolarHBondContact O-N 2.71Å
556G37.9Very low65Low87 Ų8772 Ų7290%0.89737%0.366SS*.SBendtrans66.9-1.4145.500000120.1
557R48.6Very low64.4Low179 Ų17975.7 Ų75.768%0.67540%0.399SS*.SBendtrans-112123.1159.7-80.9-169.1-177.6-172.13.3108.3H555 T559H555-R557 VanDerWaalsContact C-N 3.28Å; H555-R557 PolarHBondContact O-N 2.71Å; R557-T559 PolarHBondContact O-N 3.13Å
558P53.9Low63.6Low80 Ų8078.7 Ų78.752%0.51941%0.406SS..  trans-7385173.829.6-30.1000107.6V560 Q561P558-V560 PolarHBondContact O-N 2.83Å; P558-Q561 HydrophobicContact CB-CG 4.08Å
559T69.4Low62.7Low9 Ų981.8 Ų81.86%0.05542%0.418CS..SBendtrans-63.6-24.2166.151.50000110.2I453 D454 A457 C553 R557I453-T559 CarbonylContact C-O 3.5Å; I453-T559 WeakPolarHBondContact CA-O 3.09Å; I453-T559 WeakPolarHBondContact CG2-O 3.03Å; D454-T559 PolarHBondContact N-O 3.25Å; A457-T559 HydrophobicContact CB-CG2 3.89Å; C553-T559 HydrophobicContact CB-CG2 4.01Å; C553-T559 VanDerWaalsContact CB-OG1 3.25Å; C553-T559 WeakPolarHBondContact CB-OG1 3.21Å; R557-T559 PolarHBondContact O-N 3.13Å
560V73.7Confident61.3Low3 Ų390.5 Ų90.52%0.01848%0.479CS..EExtended strand (participates in β ladder)trans-119.3137.1175.5-1740000108.9Y418 F428 F451 I452 I453 F551 P558Y418-V560 PolarHBondContact OH-O 2.99Å; Y418-V560 VanDerWaalsContact OH-O 3.09Å; F428-V560 HydrophobicContact CD1-CG2 4.5Å; F428-V560 HydrophobicContact CE1-CB 4.31Å; F428-V560 HydrophobicContact CE1-CG1 4.14Å; F428-V560 HydrophobicContact CE1-CG2 3.96Å; F451-V560 HydrophobicContact CB-CG1 3.96Å; F451-V560 HydrophobicContact CD1-CG1 3.74Å; F451-V560 HydrophobicContact CG-CG1 4.18Å; I452-V560 CarbonylContact O-C 3.54Å; I452-V560 WeakPolarHBondContact O-CA 3.01Å; I453-V560 HydrophobicContact CD1-CG1 4.49Å; I453-V560 HydrophobicContact CD1-CG2 4.03Å; I453-V560 HydrophobicContact CG1-CB 4.4Å; I453-V560 HydrophobicContact CG1-CG1 4.09Å; I453-V560 HydrophobicContact CG1-CG2 3.94Å; I453-V560 HydrophobicContact CG2-CG2 4.29Å; F551-V560 HydrophobicContact CB-CG2 4.43Å; P558-V560 PolarHBondContact O-N 2.83Å
561Q75.1Confident61.1Low107 Ų10792.4 Ų92.450%0.549%0.489SS..EExtended strand (participates in β ladder)trans-128.6140.7168.3-66.7-177.6-11.300109.5F451 I452 P558F451-Q561 CarbonylContact C-O 3.57Å; F451-Q561 VanDerWaalsContact CA-O 3.25Å; F451-Q561 WeakPolarHBondContact CA-O 3.14Å; I452-Q561 HydrophobicContact CG2-CB 3.71Å; I452-Q561 PolarHBondContact N-O 2.88Å; I452-Q561 PolarHBondContact O-N 3.37Å; P558-Q561 HydrophobicContact CB-CG 4.08Å
562H80.5Confident61.1Low66 Ų6696.3 Ų96.331%0.30651%0.51SS..EExtended strand (participates in β ladder)trans-71.2127168.1-177.6-100.9000108.9Y418 D449 F451Y418-H562 HydrophobicContact CD1-CB 3.97Å; Y418-H562 HydrophobicContact CG-CB 4.06Å; D449-H562 IonicContact OD1-CD2 2.84Å; D449-H562 IonicContact OD1-CE1 3.68Å; D449-H562 IonicContact OD1-NE2 2.74Å; D449-H562 PolarHBondContact OD1-NE2 2.88Å; F451-H562 HydrophobicContact CD1-CB 4.12Å; F451-H562 HydrophobicContact CE1-CB 3.85Å; F451-H562 AromaticContact CE1-CD2 3.73Å; F451-H562 AromaticContact CZ-CD2 3.68Å
563L81.4Confident61.4Low84 Ų8499.4 Ų99.444%0.4453%0.527SS..EExtended strand (participates in β ladder)trans-91.3-54.6177.7-76.6179.8000111.3I443 L450 I452I443-L563 HydrophobicContact CD1-CD1 3.88Å; L450-L563 HydrophobicContact CB-CB 4.34Å; L450-L563 HydrophobicContact CD2-CB 4.24Å; L450-L563 HydrophobicContact CD2-CD1 3.79Å; L450-L563 HydrophobicContact CG-CB 4.43Å; L450-L563 HydrophobicContact CG-CD1 4.15Å; L450-L563 PolarHBondContact O-N 2.76Å; I452-L563 HydrophobicContact CB-CD1 3.77Å; I452-L563 HydrophobicContact CB-CD2 3.94Å; I452-L563 HydrophobicContact CB-CG 3.74Å; I452-L563 HydrophobicContact CD1-CD2 4.49Å; I452-L563 HydrophobicContact CG2-CD1 4.37Å; I452-L563 HydrophobicContact CG2-CD2 3.62Å; I452-L563 HydrophobicContact CG2-CG 3.78Å
564A82.8Confident62.4Low44 Ų44103.9 Ų103.936%0.36455%0.548SS..EExtended strand (participates in β ladder)trans-165.5158.1-173.200000111.4L450L450-A564 PolarHBondContact N-O 3.27Å; L450-A564 PolarHBondContact O-N 3.46Å
565K81.4Confident63.8Low132 Ų132108.9 Ų108.957%0.57457%0.573SS**EExtended strand (participates in β ladder)trans-92.5120.6161.3-169.8178.1-179.6-174.80108.6D448 A567D448-K565 HydrophobicContact CB-CG 4.12Å; D448-K565 CarbonylContact O-C 3.56Å; D448-K565 WeakPolarHBondContact O-CA 3.33Å; K565-A567 PolarHBondContact O-N 2.91Å
566L79.4Confident65.5Low79 Ų79107.2 Ų107.241%0.41457%0.57SS.*  trans-67.2100.3172.4-59.9173.1000108.1R445 D448 R568R445-L566 HydrophobicContact CG-CD1 4.35Å; D448-L566 WeakPolarHBondContact O-CB 3.46Å; D448-L566 PolarHBondContact O-N 3.39Å; L566-R568 PolarHBondContact O-N 3.11Å
567A70Confident67.5Low90 Ų90108.6 Ų108.674%0.74455%0.547SS*.  trans-65.2124.1167.700000108.2K565 R569K565-A567 PolarHBondContact O-N 2.91Å; A567-R569 PolarHBondContact O-N 2.97Å; A567-R569 VanDerWaalsContact O-N 3.11Å
568R59.2Low68.9Low214 Ų214103.2 Ų103.281%0.80854%0.537SS*.  trans-59.6117.6166.9-70.3-175.8-177.6-177-2.7107.1D448 L566 S570D448-R568 IonicContact OD1-NE 2.94Å; L566-R568 PolarHBondContact O-N 3.11Å; R568-S570 PolarHBondContact O-N 2.79Å; R568-S570 VanDerWaalsContact O-N 3.09Å
569R51.7Low70.2Confident248 Ų248105.2 Ų105.294%0.93654%0.538SS*.  trans-62.2111.1161.6-80.1-177.3171.3178.4-3105.7A567A567-R569 PolarHBondContact O-N 2.97Å; A567-R569 VanDerWaalsContact O-N 3.11Å
570S37.4Very low70.2Confident186 Ų186113.9 Ų113.9100%1.30158%0.582SS**  trans-59.60165.653.90000110.8R568R568-S570 PolarHBondContact O-N 2.79Å; R568-S570 VanDerWaalsContact O-N 3.09Å

Retrieved 570 of 570 residues in 297.7 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).