A0A087YD10_POEFO Loading...

Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession A0A087YD10, Species POEFO (Poecilia formosa, Amazon molly), Gene AARS, Length 966 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
1M81.4Confident91.7Very high89 Ų8955.5 Ų55.544%0.43833%0.328SS..  0129.40-69.4-176-77.200110.1F126 G127 I128 Y192 V250 L251M1-F126 WeakPolarHBondContact CA-O 3.2Å; M1-G127 WeakPolarHBondContact CG-O 3.48Å; M1-G127 PolarHBondContact N-O 3.11Å; M1-I128 HydrophobicContact CG-CG1 4.14Å; M1-I128 HydrophobicContact SD-CG1 3.99Å; M1-Y192 WeakPolarHBondContact CE-OH 3.04Å; M1-V250 HydrophobicContact SD-CG1 4.41Å; M1-L251 HydrophobicContact CG-CD2 4.28Å; M1-L251 HydrophobicContact SD-CD2 4.26Å
2D82.4Confident92.1Very high82 Ų8259.3 Ų59.344%0.43934%0.339SS..  trans-94105.4169.1179.11.6000109.1S4 L5D2-S4 VanDerWaalsContact CG-OG 3.32Å; D2-S4 PolarHBondContact O-N 2.96Å; D2-S4 WeakPolarHBondContact OD1-CB 3.35Å; D2-S4 PolarHBondContact OD1-N 3.07Å; D2-S4 PolarHBondContact OD1-OG 3.35Å; D2-S4 PolarHBondContact OD2-OG 2.96Å; D2-L5 HydrophobicContact CB-CD1 4.3Å; D2-L5 HydrophobicContact CB-CG 4.19Å
3S85.6Confident92.5Very high80 Ų8059.1 Ų59.156%0.55933%0.332SS*.THydrogen-bonded Turntrans-78.40.8-178.2650000114L251S3-L251 WeakPolarHBondContact CA-O 3.44Å
4S88.8Confident92.9Very high86 Ų8654.9 Ų54.960%0.60131%0.308SS*.THydrogen-bonded Turntrans-87.9-9.7177.2740000113.5D2 T6D2-S4 VanDerWaalsContact CG-OG 3.32Å; D2-S4 PolarHBondContact O-N 2.96Å; D2-S4 WeakPolarHBondContact OD1-CB 3.35Å; D2-S4 PolarHBondContact OD1-N 3.07Å; D2-S4 PolarHBondContact OD1-OG 3.35Å; D2-S4 PolarHBondContact OD2-OG 2.96Å; S4-T6 PolarHBondContact O-N 3.25Å
5L93.3Very high93.3Very high29 Ų2951.8 Ų51.815%0.15229%0.291CS..  trans-65.8127.8179.7-65.5175.3000111.6D2 Q9 I10 Q252D2-L5 HydrophobicContact CB-CD1 4.3Å; D2-L5 HydrophobicContact CB-CG 4.19Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; L5-I10 HydrophobicContact CB-CD1 4.11Å; L5-I10 HydrophobicContact CB-CG1 3.82Å; L5-I10 HydrophobicContact CD1-CG1 4.42Å; L5-Q252 PolarHBondContact O-NE2 3.05Å
6T95.6Very high93.6Very high57 Ų5753.1 Ų53.135%0.3530%0.297SS..  trans-76.4158.4172.468.50000110.9S4 A8 Q9 I10 D261S4-T6 PolarHBondContact O-N 3.25Å; T6-A8 PolarHBondContact O-N 3.46Å; T6-Q9 PolarHBondContact O-N 3.37Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.43Å; T6-Q9 PolarHBondContact OG1-N 3.39Å; T6-Q9 PolarHBondContact OG1-OE1 3.08Å; T6-I10 WeakPolarHBondContact O-CG1 3.45Å; T6-I10 PolarHBondContact O-N 3.44Å; T6-D261 WeakPolarHBondContact CA-OD2 3.28Å; T6-D261 WeakPolarHBondContact CB-OD2 3.34Å
7A95.3Very high93.8Very high3 Ų349.9 Ų49.93%0.02528%0.279CS..Hα-helixtrans-56.1-36.3175.400000112.6I10 R11 V248 D261 L262A7-I10 PolarHBondContact O-N 3.43Å; A7-R11 WeakPolarHBondContact O-CB 3.27Å; A7-R11 PolarHBondContact O-N 2.88Å; A7-V248 HydrophobicContact CB-CG1 4.12Å; A7-V248 HydrophobicContact CB-CG2 3.76Å; A7-D261 WeakPolarHBondContact CB-OD1 3.44Å; A7-D261 PolarHBondContact N-OD1 3.43Å; A7-D261 PolarHBondContact N-OD2 3.04Å; A7-L262 HydrophobicContact CB-CD1 4.12Å; A7-L262 HydrophobicContact CB-CD2 3.51Å; A7-L262 HydrophobicContact CB-CG 3.57Å
8A95.4Very high94.1Very high56 Ų5647.2 Ų47.246%0.46326%0.264SS..Hα-helixtrans-64.4-42.5175.300000112.7T6 Q12T6-A8 PolarHBondContact O-N 3.46Å; A8-Q12 PolarHBondContact O-N 3.45Å
9Q96.3Very high94.3Very high100 Ų10049 Ų4947%0.46727%0.272SS..Hα-helixtrans-67.3-40175.7-71170.8-3900111.7L5 T6 Q12 K13L5-Q9 HydrophobicContact CD2-CB 4.29Å; T6-Q9 PolarHBondContact O-N 3.37Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.43Å; T6-Q9 PolarHBondContact OG1-N 3.39Å; T6-Q9 PolarHBondContact OG1-OE1 3.08Å; Q9-Q12 PolarHBondContact O-N 3.22Å; Q9-K13 VanDerWaalsContact O-CB 3.28Å; Q9-K13 WeakPolarHBondContact O-CB 3.27Å; Q9-K13 PolarHBondContact O-N 3.02Å
10I97.3Very high94.4Very high0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-61.3-47.4176.7-68.8163.7000110.4L5 T6 A7 K13 F14 F126 L244 L247 V248 L251L5-I10 HydrophobicContact CB-CD1 4.11Å; L5-I10 HydrophobicContact CB-CG1 3.82Å; L5-I10 HydrophobicContact CD1-CG1 4.42Å; T6-I10 WeakPolarHBondContact O-CG1 3.45Å; T6-I10 PolarHBondContact O-N 3.44Å; A7-I10 PolarHBondContact O-N 3.43Å; I10-K13 PolarHBondContact O-N 3.44Å; I10-F14 PolarHBondContact O-N 3.13Å; I10-F14 VanDerWaalsContact O-N 3.08Å; I10-F126 HydrophobicContact CG2-CE1 4.04Å; I10-F126 HydrophobicContact CG2-CZ 4.11Å; I10-L244 HydrophobicContact CG2-CD1 4.11Å; I10-L247 HydrophobicContact CG2-CD2 3.4Å; I10-L247 VanDerWaalsContact CG2-CD2 3.4Å; I10-L247 HydrophobicContact CG2-CG 4.17Å; I10-V248 HydrophobicContact CB-CG2 4.43Å; I10-V248 HydrophobicContact CD1-CB 4.34Å; I10-V248 HydrophobicContact CD1-CG1 4.35Å; I10-V248 HydrophobicContact CD1-CG2 3.83Å; I10-V248 HydrophobicContact CG2-CG2 4.28Å; I10-L251 HydrophobicContact CD1-CB 4.08Å; I10-L251 HydrophobicContact CD1-CD1 3.77Å; I10-L251 HydrophobicContact CG1-CD1 3.84Å; I10-L251 HydrophobicContact CG2-CD1 3.95Å
11R97.4Very high94.5Very high29 Ų2953.8 Ų53.811%0.10928%0.282CS..Hα-helixtrans-57.2-50.1174.5-175.5-167-62.7111.11.7111.5A7 K13 F14 I15 T72 E99 L101 L244A7-R11 WeakPolarHBondContact O-CB 3.27Å; A7-R11 PolarHBondContact O-N 2.88Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.39Å; R11-F14 WeakPolarHBondContact O-CB 3.31Å; R11-F14 PolarHBondContact O-N 3.18Å; R11-I15 WeakPolarHBondContact O-CG1 3.48Å; R11-I15 PolarHBondContact O-N 3.34Å; R11-T72 HydrophobicContact CG-CG2 4.1Å; R11-E99 IonicContact CZ-OE1 2.76Å; R11-E99 IonicContact CZ-OE2 2.74Å; R11-E99 VanDerWaalsContact CZ-OE2 3.31Å; R11-E99 IonicContact NE-OE1 3.42Å; R11-E99 IonicContact NE-OE2 3.32Å; R11-E99 PolarHBondContact NE-OE2 3.26Å; R11-E99 VanDerWaalsContact NH2-CD 3.31Å; R11-E99 IonicContact NH2-OE1 3.99Å; R11-E99 PolarHBondContact NH2-OE1 3.13Å; R11-E99 IonicContact NH2-OE2 3.45Å; R11-E99 PolarHBondContact NH2-OE2 3.4Å; R11-E99 VanDerWaalsContact NH2-OE2 3.11Å; R11-L101 HydrophobicContact CG-CD2 4.1Å; R11-L244 HydrophobicContact CB-CD1 4.34Å
12Q96.6Very high95.3Very high100 Ų10056.9 Ų56.947%0.46730%0.295SS..Hα-helixtrans-63.5-40.7-179.1-169.960.448.500111.8A8 Q9 F14 I15 D16A8-Q12 PolarHBondContact O-N 3.45Å; Q9-Q12 PolarHBondContact O-N 3.22Å; Q12-F14 VanDerWaalsContact C-N 3.31Å; Q12-F14 PolarHBondContact O-N 3.05Å; Q12-I15 PolarHBondContact O-N 3.48Å; Q12-I15 VanDerWaalsContact O-N 3.15Å; Q12-D16 PolarHBondContact NE2-OD1 3.35Å; Q12-D16 WeakPolarHBondContact O-CB 3.36Å; Q12-D16 VanDerWaalsContact O-CG 3.24Å; Q12-D16 PolarHBondContact O-N 3.02Å
13K97.4Very high96Very high57 Ų5753.2 Ų53.225%0.24828%0.276CS..Hα-helixtrans-61.8-38.2178.1-164.1174.2-154.7-76.90112.4Q9 I10 R11 F17 E125 F126Q9-K13 VanDerWaalsContact O-CB 3.28Å; Q9-K13 WeakPolarHBondContact O-CB 3.27Å; Q9-K13 PolarHBondContact O-N 3.02Å; I10-K13 PolarHBondContact O-N 3.44Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.39Å; K13-F17 WeakPolarHBondContact O-CB 3.43Å; K13-F17 PolarHBondContact O-N 2.82Å; K13-E125 PolarHBondContact NZ-O 3.21Å; K13-E125 IonicContact NZ-OE2 2.66Å; K13-E125 PolarHBondContact NZ-OE2 3.29Å; K13-F126 HydrophobicContact CB-CE1 4.19Å; K13-F126 HydrophobicContact CD-CD1 4.12Å; K13-F126 HydrophobicContact CD-CE1 3.78Å; K13-F126 HydrophobicContact CG-CE1 4.21Å
14F98.2Very high96.5Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-60.2-50.2172175.3-83.1000111.2I10 R11 Q12 F17 F18 L101 L121 W215 M242I10-F14 PolarHBondContact O-N 3.13Å; I10-F14 VanDerWaalsContact O-N 3.08Å; R11-F14 WeakPolarHBondContact O-CB 3.31Å; R11-F14 PolarHBondContact O-N 3.18Å; Q12-F14 VanDerWaalsContact C-N 3.31Å; Q12-F14 PolarHBondContact O-N 3.05Å; F14-F17 WeakPolarHBondContact O-CB 3.26Å; F14-F17 PolarHBondContact O-N 2.7Å; F14-F18 HydrophobicContact CD1-CD2 4.09Å; F14-F18 HydrophobicContact CD1-CE2 4.49Å; F14-F18 HydrophobicContact CD2-CD2 4.3Å; F14-F18 AromaticContact CD2-CE2 3.97Å; F14-F18 HydrophobicContact CD2-CE2 3.97Å; F14-F18 AromaticContact CE1-CD2 3.74Å; F14-F18 HydrophobicContact CE1-CD2 3.74Å; F14-F18 AromaticContact CE1-CE2 3.99Å; F14-F18 HydrophobicContact CE1-CE2 3.99Å; F14-F18 AromaticContact CE2-CD2 3.97Å; F14-F18 HydrophobicContact CE2-CD2 3.97Å; F14-F18 AromaticContact CE2-CE2 3.4Å; F14-F18 HydrophobicContact CE2-CE2 3.4Å; F14-F18 VanDerWaalsContact CE2-CE2 3.4Å; F14-F18 HydrophobicContact CE2-CZ 4.43Å; F14-F18 HydrophobicContact CG-CD2 4.34Å; F14-F18 HydrophobicContact CG-CE2 4.46Å; F14-F18 AromaticContact CZ-CD2 3.65Å; F14-F18 HydrophobicContact CZ-CD2 3.65Å; F14-F18 AromaticContact CZ-CE2 3.39Å; F14-F18 HydrophobicContact CZ-CE2 3.39Å; F14-F18 HydrophobicContact CZ-CZ 4.39Å; F14-F18 WeakPolarHBondContact O-CD2 3.34Å; F14-F18 PolarHBondContact O-N 3.26Å; F14-L101 HydrophobicContact CB-CD1 4.12Å; F14-L101 HydrophobicContact CD1-CB 4.06Å; F14-L101 HydrophobicContact CD1-CD2 4.2Å; F14-L101 HydrophobicContact CD1-CG 4.5Å; F14-L101 HydrophobicContact CD2-CB 3.94Å; F14-L101 HydrophobicContact CD2-CD1 3.88Å; F14-L101 HydrophobicContact CD2-CG 4.46Å; F14-L101 HydrophobicContact CE1-CB 3.87Å; F14-L101 HydrophobicContact CE2-CB 3.73Å; F14-L101 HydrophobicContact CE2-CD1 4.46Å; F14-L101 HydrophobicContact CG-CB 4.13Å; F14-L101 HydrophobicContact CG-CD1 3.94Å; F14-L101 HydrophobicContact CG-CD2 4.38Å; F14-L101 HydrophobicContact CG-CG 4.39Å; F14-L101 HydrophobicContact CZ-CB 3.72Å; F14-L121 HydrophobicContact CD2-CD2 3.6Å; F14-L121 HydrophobicContact CE2-CD2 3.98Å; F14-W215 HydrophobicContact CE2-CH2 4.38Å; F14-W215 HydrophobicContact CE2-CZ2 4.09Å; F14-M242 HydrophobicContact CD2-SD 4.24Å; F14-M242 HydrophobicContact CE2-CE 4.42Å; F14-M242 HydrophobicContact CE2-SD 4.34Å
15I97.9Very high96.9Very high9 Ų955.9 Ų55.95%0.04627%0.266CS..Hα-helixtrans-63.1-47-179.1-61.5-62.6000111.1R11 Q12 F17 F18 I19 Y25R11-I15 WeakPolarHBondContact O-CG1 3.48Å; R11-I15 PolarHBondContact O-N 3.34Å; Q12-I15 PolarHBondContact O-N 3.48Å; Q12-I15 VanDerWaalsContact O-N 3.15Å; I15-F17 VanDerWaalsContact C-N 3.29Å; I15-F17 PolarHBondContact O-N 3.08Å; I15-F18 PolarHBondContact O-N 3.1Å; I15-I19 HydrophobicContact CG2-CD1 3.72Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.18Å; I15-I19 PolarHBondContact O-N 3.49Å; I15-Y25 HydrophobicContact CD1-CD2 4.05Å; I15-Y25 HydrophobicContact CD1-CE2 4.25Å; I15-Y25 HydrophobicContact CG2-CD2 3.91Å; I15-Y25 HydrophobicContact CG2-CG 4.4Å
16D98.1Very high96.9Very high72 Ų7255.6 Ų55.639%0.38527%0.266SS..Hα-helixtrans-62.7-35.3179.6-67.6-15.2000112.2Q12 R20Q12-D16 PolarHBondContact NE2-OD1 3.35Å; Q12-D16 WeakPolarHBondContact O-CB 3.36Å; Q12-D16 VanDerWaalsContact O-CG 3.24Å; Q12-D16 PolarHBondContact O-N 3.02Å; D16-R20 PolarHBondContact O-N 3.01Å
17F98.4Very high96.9Very high0 Ų056.7 Ų56.70%027%0.267CS..Hα-helixtrans-61.5-49.4173.1175-96.2000111.7K13 F14 I15 I19 R20 Y21 M117 E120 L121 E125K13-F17 WeakPolarHBondContact O-CB 3.43Å; K13-F17 PolarHBondContact O-N 2.82Å; F14-F17 WeakPolarHBondContact O-CB 3.26Å; F14-F17 PolarHBondContact O-N 2.7Å; I15-F17 VanDerWaalsContact C-N 3.29Å; I15-F17 PolarHBondContact O-N 3.08Å; F17-I19 PolarHBondContact O-N 3.15Å; F17-R20 WeakPolarHBondContact O-CB 3.35Å; F17-R20 PolarHBondContact O-N 3.28Å; F17-Y21 HydrophobicContact CD1-CD2 4.41Å; F17-Y21 HydrophobicContact CD2-CE2 4.45Å; F17-Y21 AromaticContact CE1-CD2 3.96Å; F17-Y21 HydrophobicContact CE1-CD2 3.96Å; F17-Y21 HydrophobicContact CE1-CE2 4.04Å; F17-Y21 HydrophobicContact CE2-CD2 4.2Å; F17-Y21 AromaticContact CE2-CE2 3.69Å; F17-Y21 HydrophobicContact CE2-CE2 3.69Å; F17-Y21 AromaticContact CZ-CD2 3.86Å; F17-Y21 HydrophobicContact CZ-CD2 3.86Å; F17-Y21 AromaticContact CZ-CE2 3.45Å; F17-Y21 HydrophobicContact CZ-CE2 3.45Å; F17-Y21 VanDerWaalsContact CZ-CE2 3.45Å; F17-Y21 PolarHBondContact O-N 2.87Å; F17-M117 HydrophobicContact CE1-CB 4.09Å; F17-M117 HydrophobicContact CZ-CB 4.29Å; F17-M117 WeakPolarHBondContact CZ-O 3.47Å; F17-E120 HydrophobicContact CE2-CB 4.45Å; F17-E120 HydrophobicContact CE2-CG 4.02Å; F17-E120 HydrophobicContact CZ-CB 4.22Å; F17-E120 HydrophobicContact CZ-CG 4.25Å; F17-L121 HydrophobicContact CB-CD1 3.89Å; F17-L121 HydrophobicContact CD1-CB 4.09Å; F17-L121 HydrophobicContact CD1-CD1 3.9Å; F17-L121 HydrophobicContact CD1-CD2 4.09Å; F17-L121 HydrophobicContact CD1-CG 4.24Å; F17-L121 HydrophobicContact CD2-CD1 4.12Å; F17-L121 HydrophobicContact CE1-CB 3.78Å; F17-L121 HydrophobicContact CE1-CD1 4.45Å; F17-L121 HydrophobicContact CE1-CD2 4.4Å; F17-L121 HydrophobicContact CE1-CG 4.43Å; F17-L121 HydrophobicContact CE2-CB 4.35Å; F17-L121 HydrophobicContact CG-CD1 3.7Å; F17-L121 HydrophobicContact CZ-CB 3.92Å; F17-E125 HydrophobicContact CD2-CG 3.66Å; F17-E125 HydrophobicContact CE2-CG 3.97Å
18F98.3Very high96.8Very high1 Ų157 Ų570%0.00427%0.269CS..Hα-helixtrans-71.6-29.5-179.3-80.6-72.6000113.4F14 I15 R20 Y21 E22 H23 A70 S103 M117 L121 W215F14-F18 HydrophobicContact CD1-CD2 4.09Å; F14-F18 HydrophobicContact CD1-CE2 4.49Å; F14-F18 HydrophobicContact CD2-CD2 4.3Å; F14-F18 AromaticContact CD2-CE2 3.97Å; F14-F18 HydrophobicContact CD2-CE2 3.97Å; F14-F18 AromaticContact CE1-CD2 3.74Å; F14-F18 HydrophobicContact CE1-CD2 3.74Å; F14-F18 AromaticContact CE1-CE2 3.99Å; F14-F18 HydrophobicContact CE1-CE2 3.99Å; F14-F18 AromaticContact CE2-CD2 3.97Å; F14-F18 HydrophobicContact CE2-CD2 3.97Å; F14-F18 AromaticContact CE2-CE2 3.4Å; F14-F18 HydrophobicContact CE2-CE2 3.4Å; F14-F18 VanDerWaalsContact CE2-CE2 3.4Å; F14-F18 HydrophobicContact CE2-CZ 4.43Å; F14-F18 HydrophobicContact CG-CD2 4.34Å; F14-F18 HydrophobicContact CG-CE2 4.46Å; F14-F18 AromaticContact CZ-CD2 3.65Å; F14-F18 HydrophobicContact CZ-CD2 3.65Å; F14-F18 AromaticContact CZ-CE2 3.39Å; F14-F18 HydrophobicContact CZ-CE2 3.39Å; F14-F18 HydrophobicContact CZ-CZ 4.39Å; F14-F18 WeakPolarHBondContact O-CD2 3.34Å; F14-F18 PolarHBondContact O-N 3.26Å; I15-F18 PolarHBondContact O-N 3.1Å; F18-R20 VanDerWaalsContact C-N 3.31Å; F18-R20 PolarHBondContact O-N 3.25Å; F18-Y21 CarbonylContact O-C 3.45Å; F18-Y21 VanDerWaalsContact O-C 3.27Å; F18-Y21 WeakPolarHBondContact O-CA 3.33Å; F18-Y21 WeakPolarHBondContact O-CB 3.24Å; F18-Y21 PolarHBondContact O-N 2.77Å; F18-E22 PolarHBondContact O-N 3.47Å; F18-H23 HydrophobicContact CB-CB 3.97Å; F18-H23 AromaticContact CD1-CE1 3.66Å; F18-H23 AromaticContact CD1-CG 3.99Å; F18-H23 AromaticContact CD1-ND1 3.76Å; F18-H23 AromaticContact CD1-NE2 3.84Å; F18-H23 VanDerWaalsContact O-CB 3.28Å; F18-H23 WeakPolarHBondContact O-CB 3.33Å; F18-H23 PolarHBondContact O-N 3.32Å; F18-H23 PolarHBondContact O-ND1 3.16Å; F18-H23 VanDerWaalsContact O-ND1 3.12Å; F18-A70 HydrophobicContact CB-CB 3.55Å; F18-A70 HydrophobicContact CG-CB 4.1Å; F18-S103 WeakPolarHBondContact CE1-OG 3.47Å; F18-S103 WeakPolarHBondContact CZ-OG 3.36Å; F18-M117 HydrophobicContact CD1-SD 4.44Å; F18-M117 HydrophobicContact CE1-CB 4.4Å; F18-M117 HydrophobicContact CE1-CE 4.1Å; F18-M117 HydrophobicContact CE1-SD 4.12Å; F18-L121 HydrophobicContact CE2-CD2 3.86Å; F18-W215 HydrophobicContact CE2-CH2 4.16Å; F18-W215 HydrophobicContact CE2-CZ2 4.24Å; F18-W215 AromaticContact CZ-CH2 3.89Å; F18-W215 HydrophobicContact CZ-CH2 3.89Å; F18-W215 AromaticContact CZ-CZ2 3.94Å; F18-W215 HydrophobicContact CZ-CZ2 3.94Å
19I97.7Very high96.6Very high81 Ų8156 Ų5642%0.41526%0.259SS..Hα-helixtrans-61.3-39.6170.5-71.3171000111.1I15 F17 Y21 E22I15-I19 HydrophobicContact CG2-CD1 3.72Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.18Å; I15-I19 PolarHBondContact O-N 3.49Å; F17-I19 PolarHBondContact O-N 3.15Å; I19-Y21 PolarHBondContact O-N 3Å; I19-E22 WeakPolarHBondContact O-CA 3.38Å; I19-E22 PolarHBondContact O-N 3.42Å
20R97.2Very high96.5Very high151 Ų15152.7 Ų52.757%0.5725%0.247SC*.Hα-helixtrans-61.8-27.1172.8-73.6-177.3-72.2166.8-8112.8D16 F17 F18 E22 E125D16-R20 PolarHBondContact O-N 3.01Å; F17-R20 WeakPolarHBondContact O-CB 3.35Å; F17-R20 PolarHBondContact O-N 3.28Å; F18-R20 VanDerWaalsContact C-N 3.31Å; F18-R20 PolarHBondContact O-N 3.25Å; R20-E22 VanDerWaalsContact C-N 3.27Å; R20-E22 PolarHBondContact O-N 3.5Å; R20-E125 IonicContact CZ-OE1 2.62Å; R20-E125 VanDerWaalsContact CZ-OE1 3.29Å; R20-E125 IonicContact NH1-OE1 2.65Å; R20-E125 PolarHBondContact NH1-OE1 3.12Å; R20-E125 IonicContact NH2-OE1 3.08Å; R20-E125 PolarHBondContact NH2-OE1 3.02Å; R20-E125 IonicContact NH2-OE2 3.13Å; R20-E125 PolarHBondContact NH2-OE2 2.9Å
21Y96.6Very high96.2Very high47 Ų4752.7 Ų52.718%0.18425%0.247CC..THydrogen-bonded Turntrans-89.723.9171.7-82-77.4000113.4F17 F18 I19 H23 R68 L113 M117 E120F17-Y21 HydrophobicContact CD1-CD2 4.41Å; F17-Y21 HydrophobicContact CD2-CE2 4.45Å; F17-Y21 AromaticContact CE1-CD2 3.96Å; F17-Y21 HydrophobicContact CE1-CD2 3.96Å; F17-Y21 HydrophobicContact CE1-CE2 4.04Å; F17-Y21 HydrophobicContact CE2-CD2 4.2Å; F17-Y21 AromaticContact CE2-CE2 3.69Å; F17-Y21 HydrophobicContact CE2-CE2 3.69Å; F17-Y21 AromaticContact CZ-CD2 3.86Å; F17-Y21 HydrophobicContact CZ-CD2 3.86Å; F17-Y21 AromaticContact CZ-CE2 3.45Å; F17-Y21 HydrophobicContact CZ-CE2 3.45Å; F17-Y21 VanDerWaalsContact CZ-CE2 3.45Å; F17-Y21 PolarHBondContact O-N 2.87Å; F18-Y21 CarbonylContact O-C 3.45Å; F18-Y21 VanDerWaalsContact O-C 3.27Å; F18-Y21 WeakPolarHBondContact O-CA 3.33Å; F18-Y21 WeakPolarHBondContact O-CB 3.24Å; F18-Y21 PolarHBondContact O-N 2.77Å; I19-Y21 PolarHBondContact O-N 3Å; Y21-H23 PolarHBondContact O-N 2.97Å; Y21-H23 PolarHBondContact O-ND1 2.77Å; Y21-H23 VanDerWaalsContact O-ND1 3.08Å; Y21-R68 PolarHBondContact O-NH1 2.88Å; Y21-L113 HydrophobicContact CE1-CD1 4.36Å; Y21-M117 HydrophobicContact CD1-CG 4.01Å; Y21-M117 HydrophobicContact CD1-SD 3.56Å; Y21-M117 VanDerWaalsContact CD1-SD 3.56Å; Y21-M117 HydrophobicContact CD2-CG 4.12Å; Y21-M117 HydrophobicContact CD2-SD 3.96Å; Y21-M117 HydrophobicContact CE1-CG 3.91Å; Y21-M117 HydrophobicContact CE1-SD 4.08Å; Y21-M117 HydrophobicContact CE2-CG 4.03Å; Y21-M117 HydrophobicContact CE2-SD 4.45Å; Y21-M117 HydrophobicContact CG-CG 4.12Å; Y21-M117 HydrophobicContact CG-SD 3.48Å; Y21-E120 VanDerWaalsContact OH-CD 3.23Å; Y21-E120 PolarHBondContact OH-OE1 3.4Å; Y21-E120 VanDerWaalsContact OH-OE1 3.05Å; Y21-E120 PolarHBondContact OH-OE2 3.49Å
22E96.8Very high95.7Very high154 Ų15452.7 Ų52.772%0.7225%0.248SC*.THydrogen-bonded Turntrans60.522.2176.8-53.1-179.9161.600114.5F18 I19 R20F18-E22 PolarHBondContact O-N 3.47Å; I19-E22 WeakPolarHBondContact O-CA 3.38Å; I19-E22 PolarHBondContact O-N 3.42Å; R20-E22 VanDerWaalsContact C-N 3.27Å; R20-E22 PolarHBondContact O-N 3.5Å
23H97.9Very high94.8Very high6 Ų648.9 Ų48.93%0.02823%0.232CC..PPolyproline II helixtrans-77136.4169.4-62.762.4000109.4F18 Y21 R68 A69 A70 Y109F18-H23 HydrophobicContact CB-CB 3.97Å; F18-H23 AromaticContact CD1-CE1 3.66Å; F18-H23 AromaticContact CD1-CG 3.99Å; F18-H23 AromaticContact CD1-ND1 3.76Å; F18-H23 AromaticContact CD1-NE2 3.84Å; F18-H23 VanDerWaalsContact O-CB 3.28Å; F18-H23 WeakPolarHBondContact O-CB 3.33Å; F18-H23 PolarHBondContact O-N 3.32Å; F18-H23 PolarHBondContact O-ND1 3.16Å; F18-H23 VanDerWaalsContact O-ND1 3.12Å; Y21-H23 PolarHBondContact O-N 2.97Å; Y21-H23 PolarHBondContact O-ND1 2.77Å; Y21-H23 VanDerWaalsContact O-ND1 3.08Å; H23-R68 HydrophobicContact CB-CB 4.21Å; H23-A69 PolarHBondContact CD2-O 2.96Å; H23-A70 HydrophobicContact CB-CB 3.91Å; H23-Y109 AromaticContact CE1-CE1 3.72Å; H23-Y109 AromaticContact NE2-CE1 3.4Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.24Å; H23-Y109 AromaticContact NE2-CZ 3.52Å; H23-Y109 PolarHBondContact NE2-OH 3.39Å
24Q96.9Very high93.2Very high124 Ų12451.2 Ų51.258%0.57925%0.247SC*.EExtended strand (participates in β ladder)trans-81.6131.9171.8-173.8173-10.900109.6V26 L66 R68 A69 A70Q24-V26 PolarHBondContact O-N 3.25Å; Q24-L66 HydrophobicContact CB-CD2 4.01Å; Q24-L66 HydrophobicContact CG-CD2 4.36Å; Q24-R68 PolarHBondContact N-O 3.12Å; Q24-R68 VanDerWaalsContact N-O 3.11Å; Q24-A69 CarbonylContact O-C 3.52Å; Q24-A69 VanDerWaalsContact O-CA 3.29Å; Q24-A69 WeakPolarHBondContact O-CA 3.48Å; Q24-A70 PolarHBondContact O-N 2.92Å
25Y96.1Very high91.2Very high97 Ų9758.5 Ų58.538%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-67.1125.4168.2174.3-110.1000109.8I15 H27 A70 N71I15-Y25 HydrophobicContact CD1-CD2 4.05Å; I15-Y25 HydrophobicContact CD1-CE2 4.25Å; I15-Y25 HydrophobicContact CG2-CD2 3.91Å; I15-Y25 HydrophobicContact CG2-CG 4.4Å; Y25-H27 HydrophobicContact CE1-CB 4.46Å; Y25-H27 PolarHBondContact OH-ND1 3.01Å; Y25-A70 WeakPolarHBondContact CA-O 3.45Å; Y25-A70 WeakPolarHBondContact CD2-O 3.35Å; Y25-N71 HydrophobicContact CE2-CB 4.31Å
26V94.6Very high89.7Confident24 Ų2459.2 Ų59.215%0.14529%0.29CS..  trans-119.2121.7175.4-179.80000107.6Q24 F49 L66 A69 A70 N71Q24-V26 PolarHBondContact O-N 3.25Å; V26-F49 HydrophobicContact CB-CE1 4.48Å; V26-F49 HydrophobicContact CB-CZ 4.15Å; V26-F49 HydrophobicContact CG1-CE1 4.13Å; V26-F49 HydrophobicContact CG1-CZ 4.09Å; V26-F49 HydrophobicContact CG2-CE1 4.42Å; V26-F49 HydrophobicContact CG2-CZ 4.4Å; V26-L66 HydrophobicContact CG2-CD1 4.11Å; V26-L66 HydrophobicContact CG2-CD2 4Å; V26-A69 HydrophobicContact CG2-CB 3.86Å; V26-A70 PolarHBondContact N-O 3.4Å; V26-N71 WeakPolarHBondContact O-CB 3.17Å; V26-N71 PolarHBondContact O-ND2 3.17Å
27H93.9Very high88Confident80 Ų8061.8 Ų61.837%0.3731%0.311SS..PPolyproline II helixtrans-61.1149.3-179.6-17158000111.6Y25 S29 A360 E363Y25-H27 HydrophobicContact CE1-CB 4.46Å; Y25-H27 PolarHBondContact OH-ND1 3.01Å; H27-S29 PolarHBondContact O-N 3.35Å; H27-A360 PolarHBondContact CE1-O 2.88Å; H27-E363 IonicContact NE2-OE2 2.82Å; H27-E363 PolarHBondContact NE2-OE2 3Å
28S94.1Very high86.5Confident9 Ų964.8 Ų64.86%0.06333%0.329CS..PPolyproline II helixtrans-56.1136.7-179.5-174.80000111.6T72 Q73 K74S28-T72 WeakPolarHBondContact CB-O 3.44Å; S28-Q73 VanDerWaalsContact OG-CD 3.23Å; S28-Q73 PolarHBondContact OG-NE2 3.13Å; S28-Q73 VanDerWaalsContact OG-NE2 3.12Å; S28-Q73 PolarHBondContact OG-OE1 3.36Å; S28-K74 WeakPolarHBondContact OG-CE 3.39Å; S28-K74 PolarHBondContact OG-N 3.11Å
29S91.9Very high85.4Confident36 Ų3665.5 Ų65.525%0.25233%0.332SS..PPolyproline II helixtrans-73.6166.8168.3750000111.6H27 Q73 K74H27-S29 PolarHBondContact O-N 3.35Å; S29-Q73 PolarHBondContact O-NE2 3.42Å; S29-Q73 PolarHBondContact OG-NE2 3.05Å; S29-K74 WeakPolarHBondContact O-CE 3.21Å
30S92.3Very high84.7Confident30 Ų3064.5 Ų64.521%0.2133%0.328CS..PPolyproline II helixtrans-54143.4168.1177.60000111.5I32 D311S30-I32 PolarHBondContact O-N 2.72Å; S30-I32 PolarHBondContact OG-N 2.91Å; S30-I32 PolarHBondContact OG-O 2.92Å; S30-D311 WeakPolarHBondContact OG-CB 3.45Å; S30-D311 PolarHBondContact OG-O 2.83Å
31T91.6Very high84.3Confident0 Ų057.6 Ų57.60%030%0.302CS..SBendtrans-67.5-11.9168.551.30000113P33 F41 A42 K74 I76 I307 D311T31-P33 WeakPolarHBondContact O-CD 3.45Å; T31-F41 CarbonylContact O-C 3.39Å; T31-F41 WeakPolarHBondContact O-CA 3.27Å; T31-F41 WeakPolarHBondContact O-CB 3.44Å; T31-A42 PolarHBondContact O-N 3.17Å; T31-K74 HydrophobicContact CG2-CB 3.49Å; T31-K74 VanDerWaalsContact CG2-CB 3.49Å; T31-K74 HydrophobicContact CG2-CD 4.47Å; T31-I76 HydrophobicContact CG2-CD1 3.94Å; T31-I76 HydrophobicContact CG2-CG1 4.04Å; T31-I307 HydrophobicContact CG2-CG2 3.61Å; T31-D311 WeakPolarHBondContact CB-OD2 3.48Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.38Å; T31-D311 PolarHBondContact N-OD2 3.11Å; T31-D311 PolarHBondContact OG1-OD2 3.23Å
32I86.4Confident84.1Confident29 Ų2955.5 Ų55.515%0.14929%0.294CS..SBendtrans-103.4101.4177.7-53.9-62.5000107.8S30 L34 F41 D311S30-I32 PolarHBondContact O-N 2.72Å; S30-I32 PolarHBondContact OG-N 2.91Å; S30-I32 PolarHBondContact OG-O 2.92Å; I32-L34 PolarHBondContact O-N 3.33Å; I32-F41 HydrophobicContact CD1-CD1 3.76Å; I32-F41 HydrophobicContact CD1-CE1 3.72Å; I32-D311 HydrophobicContact CG1-CB 4.32Å
33P79Confident83.8Confident20 Ų2048.9 Ų48.913%0.1326%0.264CS..  trans-62.2135.3-178.6-22.934.2000111.3T31 D36 L39 R320T31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-D36 HydrophobicContact CB-CB 3.99Å; P33-L39 HydrophobicContact CG-CB 4.15Å; P33-R320 PolarHBondContact O-NH1 3.33Å; P33-R320 VanDerWaalsContact O-NH1 3.12Å
34L63.7Low83.4Confident105 Ų10548.8 Ų48.855%0.5526%0.264SS..SBendtrans-82.4128.7171.9-172.973.9000109I32 D36 D687I32-L34 PolarHBondContact O-N 3.33Å; L34-D36 PolarHBondContact O-N 3.07Å; L34-D687 WeakPolarHBondContact CD2-O 3.24Å
35D55.8Low83.2Confident153 Ų15342.9 Ų42.982%0.81824%0.236SC*.SBendtrans5322.9173.7-62.5-28.7000116.8P37D35-P37 WeakPolarHBondContact O-CD 3.36Å
36D66.3Low82.9Confident24 Ų2438.2 Ų38.213%0.12822%0.218CC..  trans-106.5100.2171.4-162-27000110.8P33 L34 T38 K50P33-D36 HydrophobicContact CB-CB 3.99Å; L34-D36 PolarHBondContact O-N 3.07Å; D36-T38 PolarHBondContact O-N 2.97Å; D36-T38 VanDerWaalsContact OD1-CB 3.32Å; D36-T38 WeakPolarHBondContact OD1-CB 3.19Å; D36-T38 PolarHBondContact OD1-N 3.23Å; D36-T38 PolarHBondContact OD1-OG1 2.91Å; D36-K50 IonicContact OD1-NZ 3.93Å; D36-K50 PolarHBondContact OD1-NZ 2.91Å; D36-K50 IonicContact OD2-NZ 3.31Å; D36-K50 PolarHBondContact OD2-NZ 3.47Å
37P62.4Low82.7Confident127 Ų12738 Ų3883%0.82522%0.216SC*.THydrogen-bonded Turntrans-72.6-11178.731.2-35.5000112.9D35D35-P37 WeakPolarHBondContact O-CD 3.36Å
38T66.9Low82.4Confident63 Ų6335.7 Ų35.739%0.38721%0.205SC..THydrogen-bonded Turntrans-82.6-14.5-177.369.90000113D36 K50D36-T38 PolarHBondContact O-N 2.97Å; D36-T38 VanDerWaalsContact OD1-CB 3.32Å; D36-T38 WeakPolarHBondContact OD1-CB 3.19Å; D36-T38 PolarHBondContact OD1-N 3.23Å; D36-T38 PolarHBondContact OD1-OG1 2.91Å; T38-K50 PolarHBondContact OG1-NZ 2.99Å
39L76Confident82.3Confident15 Ų1535.2 Ų35.28%0.07920%0.202CC..  trans-129.3136.6-173.3-65.2172.4000113.1P33 N47 M178 R320P33-L39 HydrophobicContact CG-CB 4.15Å; L39-N47 WeakPolarHBondContact CD1-ND2 3.34Å; L39-M178 HydrophobicContact CD1-CE 3.87Å; L39-M178 HydrophobicContact CD1-CG 4.47Å; L39-M178 HydrophobicContact CD1-SD 3.9Å; L39-M178 HydrophobicContact CD2-CE 4.47Å; L39-M178 HydrophobicContact CG-CE 4.27Å; L39-R320 PolarHBondContact O-NH2 2.83Å
40L82.5Confident82.1Confident60 Ų6034.8 Ų34.831%0.31420%0.195SC..SBendtrans-77.8-42170.8-67-179.9000111.7R320 V323L40-R320 HydrophobicContact CB-CB 4.32Å; L40-R320 HydrophobicContact CD2-CB 4.31Å; L40-R320 PolarHBondContact O-NE 3.44Å; L40-V323 HydrophobicContact CD1-CG2 4.13Å
41F89.4Confident81.9Confident7 Ų735.7 Ų35.73%0.03120%0.201CC..SBendtrans-139.2159.9178.7-57.1-79.3000110.1T31 I32 N43 I76 R320 V323 L324T31-F41 CarbonylContact O-C 3.39Å; T31-F41 WeakPolarHBondContact O-CA 3.27Å; T31-F41 WeakPolarHBondContact O-CB 3.44Å; I32-F41 HydrophobicContact CD1-CD1 3.76Å; I32-F41 HydrophobicContact CD1-CE1 3.72Å; F41-N43 PolarHBondContact O-N 2.86Å; F41-N43 VanDerWaalsContact O-N 3.15Å; F41-I76 HydrophobicContact CB-CB 3.83Å; F41-I76 HydrophobicContact CB-CG2 4.16Å; F41-I76 HydrophobicContact CD1-CB 4.42Å; F41-I76 HydrophobicContact CD1-CD1 4.02Å; F41-I76 HydrophobicContact CD1-CG2 4.33Å; F41-I76 HydrophobicContact CD2-CG2 3.93Å; F41-I76 HydrophobicContact CE1-CD1 4.47Å; F41-I76 HydrophobicContact CE2-CG2 4.44Å; F41-I76 HydrophobicContact CG-CB 4.02Å; F41-I76 HydrophobicContact CG-CD1 4.48Å; F41-I76 HydrophobicContact CG-CG2 3.88Å; F41-R320 HydrophobicContact CE1-CB 4.09Å; F41-R320 HydrophobicContact CE2-CB 4.31Å; F41-R320 HydrophobicContact CZ-CB 3.83Å; F41-V323 HydrophobicContact CE2-CB 3.81Å; F41-V323 HydrophobicContact CE2-CG1 3.79Å; F41-V323 HydrophobicContact CE2-CG2 4.31Å; F41-V323 HydrophobicContact CZ-CB 4.07Å; F41-V323 HydrophobicContact CZ-CG1 4.27Å; F41-L324 HydrophobicContact CE1-CD1 4.39Å; F41-L324 HydrophobicContact CE1-CD2 3.66Å; F41-L324 HydrophobicContact CE1-CG 3.99Å; F41-L324 HydrophobicContact CZ-CD2 3.65Å; F41-L324 HydrophobicContact CZ-CG 3.86Å
42A91.2Very high81.8Confident2 Ų236.8 Ų36.82%0.01721%0.206CC..  trans-64.3111.6165.800000108.8T31 N47 C75 I76T31-A42 PolarHBondContact O-N 3.17Å; A42-N47 WeakPolarHBondContact CA-OD1 3.39Å; A42-N47 HydrophobicContact CB-CB 4.42Å; A42-C75 CarbonylContact O-C 3.3Å; A42-C75 VanDerWaalsContact O-CA 3.31Å; A42-C75 WeakPolarHBondContact O-CA 3.49Å; A42-I76 PolarHBondContact O-N 2.94Å
43N89.8Confident81.9Confident16 Ų1635.8 Ų35.89%0.08620%0.201CC..  trans-102.7-10-175.364.5-8.9000113F41 N47 M178F41-N43 PolarHBondContact O-N 2.86Å; F41-N43 VanDerWaalsContact O-N 3.15Å; N43-N47 PolarHBondContact N-OD1 3.46Å; N43-N47 PolarHBondContact OD1-ND2 3.08Å; N43-N47 PolarHBondContact OD1-OD1 3.29Å; N43-N47 VanDerWaalsContact OD1-OD1 3.09Å; N43-M178 PolarHBondContact ND2-O 3.12Å
44A91.1Very high82.1Confident3 Ų336.1 Ų36.13%0.02520%0.201CC..SBendtrans-148.1157.1-178.300000112.1M46 N47 M100 W176A44-M46 HydrophobicContact CB-CG 4.19Å; A44-M46 PolarHBondContact O-N 2.82Å; A44-N47 PolarHBondContact N-OD1 2.85Å; A44-N47 PolarHBondContact O-N 2.85Å; A44-N47 PolarHBondContact O-OD1 3.29Å; A44-M100 HydrophobicContact CB-CE 4.38Å; A44-M100 HydrophobicContact CB-SD 4.37Å; A44-W176 HydrophobicContact CB-CH2 4.09Å; A44-W176 HydrophobicContact CB-CZ2 3.84Å
45G91.1Very high83Confident0 Ų035.1 Ų35.10%020%0.197CC..G310 helixtrans-59.7-32.8177.400000114N47 M100 W104G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 3.07Å; G45-M100 PolarHBondContact N-SD 3.06Å; G45-W104 VanDerWaalsContact C-CZ2 3.42Å
46M91.1Very high84.1Confident0 Ų030.7 Ų30.70%018%0.175CC..G310 helixtrans-71.3-17.5-176.877.781.573.900114.7A44 Q48 F49 K50 F53 W176 M178 P183 I220 D239A44-M46 HydrophobicContact CB-CG 4.19Å; A44-M46 PolarHBondContact O-N 2.82Å; M46-Q48 VanDerWaalsContact C-N 3.28Å; M46-Q48 PolarHBondContact O-N 3.36Å; M46-F49 CarbonylContact O-C 3.41Å; M46-F49 WeakPolarHBondContact O-CA 3.34Å; M46-F49 PolarHBondContact O-N 2.94Å; M46-K50 PolarHBondContact O-N 3.16Å; M46-K50 VanDerWaalsContact O-N 3.15Å; M46-F53 HydrophobicContact CB-CE2 3.88Å; M46-F53 HydrophobicContact CE-CD2 3.67Å; M46-F53 HydrophobicContact CE-CE2 3.86Å; M46-W176 HydrophobicContact CE-CZ3 4.28Å; M46-W176 HydrophobicContact CG-CH2 3.63Å; M46-W176 HydrophobicContact CG-CZ3 4.03Å; M46-W176 HydrophobicContact SD-CH2 4.24Å; M46-W176 HydrophobicContact SD-CZ3 4.43Å; M46-M178 HydrophobicContact SD-CB 4.32Å; M46-M178 HydrophobicContact SD-CG 3.99Å; M46-M178 HydrophobicContact SD-SD 3.58Å; M46-P183 HydrophobicContact CE-CB 3.82Å; M46-P183 HydrophobicContact CE-CG 3.98Å; M46-I220 HydrophobicContact CE-CD1 3.89Å; M46-D239 HydrophobicContact CB-CB 4.39Å; M46-D239 WeakPolarHBondContact CB-OD2 3.49Å; M46-D239 WeakPolarHBondContact CG-OD2 3.43Å
47N89.9Confident84.8Confident18 Ų1830.7 Ų30.710%0.09618%0.175CC..G310 helixtrans-56.3-42.1-172.1-64.5129.2000112L39 A42 N43 A44 G45 F49 K50 M178L39-N47 WeakPolarHBondContact CD1-ND2 3.34Å; A42-N47 WeakPolarHBondContact CA-OD1 3.39Å; A42-N47 HydrophobicContact CB-CB 4.42Å; N43-N47 PolarHBondContact N-OD1 3.46Å; N43-N47 PolarHBondContact OD1-ND2 3.08Å; N43-N47 PolarHBondContact OD1-OD1 3.29Å; N43-N47 VanDerWaalsContact OD1-OD1 3.09Å; A44-N47 PolarHBondContact N-OD1 2.85Å; A44-N47 PolarHBondContact O-N 2.85Å; A44-N47 PolarHBondContact O-OD1 3.29Å; G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 3.07Å; N47-F49 PolarHBondContact O-N 2.82Å; N47-K50 WeakPolarHBondContact O-CB 3.37Å; N47-K50 PolarHBondContact O-N 3.09Å; N47-M178 WeakPolarHBondContact ND2-CG 3.2Å; N47-M178 PolarHBondContact ND2-SD 3.17Å
48Q88.9Confident85.2Confident32 Ų3228.9 Ų28.915%0.1516%0.159CC..G310 helixtrans-65.8-20.2178.569.6-176-25.800113.6M46 M63 N71M46-Q48 VanDerWaalsContact C-N 3.28Å; M46-Q48 PolarHBondContact O-N 3.36Å; Q48-M63 VanDerWaalsContact O-CE 3.32Å; Q48-M63 WeakPolarHBondContact O-CE 3.4Å; Q48-N71 PolarHBondContact NE2-ND2 3.4Å
49F91.6Very high85.6Confident0 Ų030.7 Ų30.70%017%0.171CC..G310 helixtrans-104.82.6-178.6-55.1-63.7000113.3V26 M46 N47 P51 I52 F53 M63 L66 A69 W104 F106V26-F49 HydrophobicContact CB-CE1 4.48Å; V26-F49 HydrophobicContact CB-CZ 4.15Å; V26-F49 HydrophobicContact CG1-CE1 4.13Å; V26-F49 HydrophobicContact CG1-CZ 4.09Å; V26-F49 HydrophobicContact CG2-CE1 4.42Å; V26-F49 HydrophobicContact CG2-CZ 4.4Å; M46-F49 CarbonylContact O-C 3.41Å; M46-F49 WeakPolarHBondContact O-CA 3.34Å; M46-F49 PolarHBondContact O-N 2.94Å; N47-F49 PolarHBondContact O-N 2.82Å; F49-P51 VanDerWaalsContact C-CD 3.45Å; F49-P51 VanDerWaalsContact C-N 3.29Å; F49-I52 HydrophobicContact CB-CD1 4.37Å; F49-I52 HydrophobicContact CD1-CD1 3.81Å; F49-I52 WeakPolarHBondContact O-CA 3.35Å; F49-I52 WeakPolarHBondContact O-CB 3.42Å; F49-I52 PolarHBondContact O-N 3.1Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.7Å; F49-F53 HydrophobicContact CB-CZ 4.32Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 PolarHBondContact O-N 3.49Å; F49-F53 VanDerWaalsContact O-N 3.15Å; F49-M63 HydrophobicContact CD1-CE 3.41Å; F49-M63 VanDerWaalsContact CD1-CE 3.41Å; F49-M63 HydrophobicContact CE1-CE 3.68Å; F49-L66 HydrophobicContact CE1-CD1 4.29Å; F49-A69 HydrophobicContact CE1-CB 4.17Å; F49-A69 HydrophobicContact CE2-CB 4.48Å; F49-A69 HydrophobicContact CZ-CB 3.85Å; F49-W104 AromaticContact CD2-CD2 3.64Å; F49-W104 HydrophobicContact CD2-CD2 3.64Å; F49-W104 AromaticContact CD2-CE2 3.9Å; F49-W104 HydrophobicContact CD2-CE3 4.03Å; F49-W104 AromaticContact CD2-CG 3.88Å; F49-W104 HydrophobicContact CD2-CG 3.88Å; F49-W104 AromaticContact CE2-CD2 3.39Å; F49-W104 HydrophobicContact CE2-CD2 3.39Å; F49-W104 AromaticContact CE2-CE2 3.84Å; F49-W104 AromaticContact CE2-CE3 3.27Å; F49-W104 HydrophobicContact CE2-CE3 3.27Å; F49-W104 HydrophobicContact CE2-CG 4.04Å; F49-W104 HydrophobicContact CE2-CH2 4.11Å; F49-W104 HydrophobicContact CE2-CZ2 4.22Å; F49-W104 AromaticContact CE2-CZ3 3.64Å; F49-W104 HydrophobicContact CE2-CZ3 3.64Å; F49-W104 HydrophobicContact CZ-CD2 4.41Å; F49-W104 AromaticContact CZ-CE3 3.97Å; F49-W104 HydrophobicContact CZ-CE3 3.97Å; F49-W104 HydrophobicContact CZ-CZ3 4.32Å; F49-F106 HydrophobicContact CB-CE1 3.72Å; F49-F106 HydrophobicContact CB-CZ 3.77Å; F49-F106 HydrophobicContact CD1-CE1 4.42Å; F49-F106 HydrophobicContact CD1-CE2 4.35Å; F49-F106 AromaticContact CD1-CZ 3.62Å; F49-F106 HydrophobicContact CD1-CZ 3.62Å; F49-F106 HydrophobicContact CD2-CZ 4.14Å; F49-F106 HydrophobicContact CE1-CZ 4.23Å; F49-F106 HydrophobicContact CG-CE1 4.07Å; F49-F106 AromaticContact CG-CZ 3.58Å; F49-F106 HydrophobicContact CG-CZ 3.58Å
50K87.5Confident85.4Confident26 Ų2632.2 Ų32.211%0.11318%0.183CC..Hα-helixtrans-47.9-44.7178.4179.9177.4174.2-176.10112.9D36 T38 M46 N47 I52 F53 L54 M178D36-K50 IonicContact OD1-NZ 3.93Å; D36-K50 PolarHBondContact OD1-NZ 2.91Å; D36-K50 IonicContact OD2-NZ 3.31Å; D36-K50 PolarHBondContact OD2-NZ 3.47Å; T38-K50 PolarHBondContact OG1-NZ 2.99Å; M46-K50 PolarHBondContact O-N 3.16Å; M46-K50 VanDerWaalsContact O-N 3.15Å; N47-K50 WeakPolarHBondContact O-CB 3.37Å; N47-K50 PolarHBondContact O-N 3.09Å; K50-I52 VanDerWaalsContact C-N 3.25Å; K50-I52 PolarHBondContact O-N 3.44Å; K50-F53 PolarHBondContact O-N 3.01Å; K50-L54 HydrophobicContact CD-CD1 4.45Å; K50-L54 HydrophobicContact CG-CD1 3.7Å; K50-L54 HydrophobicContact CG-CG 4.33Å; K50-L54 WeakPolarHBondContact O-CB 3.36Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.5Å; K50-M178 HydrophobicContact CD-CE 4.06Å; K50-M178 HydrophobicContact CD-SD 4.14Å
51P86.9Confident85Confident50 Ų5031.2 Ų31.233%0.32518%0.177SC..Hα-helixtrans-63.2-26.7176.7-24.636.6000114.8F49 N55 T56 I57F49-P51 VanDerWaalsContact C-CD 3.45Å; F49-P51 VanDerWaalsContact C-N 3.29Å; P51-N55 PolarHBondContact O-N 2.99Å; P51-N55 VanDerWaalsContact O-N 3.08Å; P51-T56 WeakPolarHBondContact CA-OG1 3.37Å; P51-T56 PolarHBondContact O-N 2.95Å; P51-T56 PolarHBondContact O-OG1 3.29Å; P51-I57 HydrophobicContact CB-CB 3.86Å; P51-I57 HydrophobicContact CB-CG1 4.35Å; P51-I57 PolarHBondContact O-N 3.37Å; P51-I57 VanDerWaalsContact O-N 3.15Å
52I89.8Confident84.5Confident22 Ų2235.2 Ų35.211%0.11320%0.203CC..Hα-helixtrans-75-47.3176.2-51.1179.2000109.9F49 K50 L54 N55 I57 M63 L66 F106F49-I52 HydrophobicContact CB-CD1 4.37Å; F49-I52 HydrophobicContact CD1-CD1 3.81Å; F49-I52 WeakPolarHBondContact O-CA 3.35Å; F49-I52 WeakPolarHBondContact O-CB 3.42Å; F49-I52 PolarHBondContact O-N 3.1Å; K50-I52 VanDerWaalsContact C-N 3.25Å; K50-I52 PolarHBondContact O-N 3.44Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.42Å; I52-N55 PolarHBondContact O-N 3.23Å; I52-N55 VanDerWaalsContact O-N 3.08Å; I52-I57 HydrophobicContact CG1-CD1 3.95Å; I52-M63 HydrophobicContact CD1-CB 4.14Å; I52-M63 HydrophobicContact CD1-CE 4.01Å; I52-M63 WeakPolarHBondContact CD1-O 3.24Å; I52-L66 HydrophobicContact CD1-CB 4.41Å; I52-L66 HydrophobicContact CD1-CD1 4.31Å; I52-F106 HydrophobicContact CB-CD1 4.05Å; I52-F106 HydrophobicContact CB-CE1 4.16Å; I52-F106 HydrophobicContact CD1-CD2 4.4Å; I52-F106 HydrophobicContact CD1-CE1 4.21Å; I52-F106 HydrophobicContact CD1-CE2 4.03Å; I52-F106 HydrophobicContact CD1-CZ 3.94Å; I52-F106 HydrophobicContact CG2-CB 3.88Å; I52-F106 HydrophobicContact CG2-CD1 3.5Å; I52-F106 HydrophobicContact CG2-CD2 4.2Å; I52-F106 HydrophobicContact CG2-CE1 4.07Å; I52-F106 HydrophobicContact CG2-CG 3.58Å
53F88.9Confident84.1Confident9 Ų937.1 Ų37.14%0.03921%0.213CC..Hα-helixtrans-60.2-38.8176.9-64.6-58.8000112.2M46 F49 K50 N55 W104 F106 P183 I220 D239M46-F53 HydrophobicContact CB-CE2 3.88Å; M46-F53 HydrophobicContact CE-CD2 3.67Å; M46-F53 HydrophobicContact CE-CE2 3.86Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.7Å; F49-F53 HydrophobicContact CB-CZ 4.32Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 PolarHBondContact O-N 3.49Å; F49-F53 VanDerWaalsContact O-N 3.15Å; K50-F53 PolarHBondContact O-N 3.01Å; F53-N55 VanDerWaalsContact C-N 3.3Å; F53-W104 AromaticContact CZ-CD1 3.75Å; F53-W104 HydrophobicContact CZ-CG 4.48Å; F53-F106 HydrophobicContact CD1-CD1 4.09Å; F53-F106 HydrophobicContact CD1-CE1 4.26Å; F53-F106 AromaticContact CE1-CD1 3.69Å; F53-F106 HydrophobicContact CE1-CD1 3.69Å; F53-F106 AromaticContact CE1-CE1 3.62Å; F53-F106 HydrophobicContact CE1-CE1 3.62Å; F53-F106 HydrophobicContact CE2-CE1 4.15Å; F53-F106 HydrophobicContact CZ-CD1 4.14Å; F53-F106 AromaticContact CZ-CE1 3.57Å; F53-F106 HydrophobicContact CZ-CE1 3.57Å; F53-P183 HydrophobicContact CB-CB 4.03Å; F53-P183 HydrophobicContact CB-CG 3.7Å; F53-P183 HydrophobicContact CG-CG 4.47Å; F53-I220 HydrophobicContact CD1-CD1 4.07Å; F53-I220 HydrophobicContact CD1-CG2 4.26Å; F53-I220 HydrophobicContact CD2-CD1 4.3Å; F53-I220 HydrophobicContact CE1-CD1 3.87Å; F53-I220 HydrophobicContact CE2-CD1 4.12Å; F53-I220 HydrophobicContact CG-CD1 4.28Å; F53-I220 HydrophobicContact CZ-CD1 3.89Å; F53-D239 HydrophobicContact CZ-CB 4.44Å
54L84.1Confident83.9Confident26 Ų2638.1 Ų38.114%0.13622%0.223CC..THydrogen-bonded Turntrans-82.7-5.6178.4-63.8177.9000113.5K50 I52 T56 P183 N223K50-L54 HydrophobicContact CD-CD1 4.45Å; K50-L54 HydrophobicContact CG-CD1 3.7Å; K50-L54 HydrophobicContact CG-CG 4.33Å; K50-L54 WeakPolarHBondContact O-CB 3.36Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.5Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.42Å; L54-T56 HydrophobicContact CB-CG2 3.95Å; L54-T56 PolarHBondContact O-N 3.48Å; L54-T56 VanDerWaalsContact O-N 3.15Å; L54-P183 HydrophobicContact CD2-CG 3.66Å; L54-P183 HydrophobicContact CG-CG 3.84Å; L54-N223 HydrophobicContact CD2-CB 4.5Å; L54-N223 VanDerWaalsContact CD2-OD1 3.26Å; L54-N223 WeakPolarHBondContact CD2-OD1 3.32Å
55N80.8Confident83.7Confident85 Ų8546 Ų4646%0.45526%0.257SS..THydrogen-bonded Turntrans54.929-176.2-162.944.3000113.7P51 I52 F53 R474P51-N55 PolarHBondContact O-N 2.99Å; P51-N55 VanDerWaalsContact O-N 3.08Å; I52-N55 PolarHBondContact O-N 3.23Å; I52-N55 VanDerWaalsContact O-N 3.08Å; F53-N55 VanDerWaalsContact C-N 3.3Å; N55-R474 PolarHBondContact O-NH1 3.06Å
56T79.1Confident83.7Confident60 Ų6046.8 Ų46.837%0.36826%0.261SS..  trans-97.6-7.6178.854.70000112.7P51 L54 I467P51-T56 WeakPolarHBondContact CA-OG1 3.37Å; P51-T56 PolarHBondContact O-N 2.95Å; P51-T56 PolarHBondContact O-OG1 3.29Å; L54-T56 HydrophobicContact CB-CG2 3.95Å; L54-T56 PolarHBondContact O-N 3.48Å; L54-T56 VanDerWaalsContact O-N 3.15Å; T56-I467 HydrophobicContact CG2-CG1 4.33Å
57I81.1Confident83.8Confident24 Ų2454.8 Ų54.812%0.12329%0.291CS..SBendtrans-63140.9176.9-162.2163.4000111.6P51 I52 H61 M63 A64P51-I57 HydrophobicContact CB-CB 3.86Å; P51-I57 HydrophobicContact CB-CG1 4.35Å; P51-I57 PolarHBondContact O-N 3.37Å; P51-I57 VanDerWaalsContact O-N 3.15Å; I52-I57 HydrophobicContact CG1-CD1 3.95Å; I57-H61 HydrophobicContact CD1-CB 4.23Å; I57-H61 HydrophobicContact CG1-CB 3.95Å; I57-M63 HydrophobicContact CD1-CB 3.66Å; I57-A64 HydrophobicContact CG1-CB 4.5Å; I57-A64 HydrophobicContact CG2-CB 3.86Å
58D71.8Confident84.2Confident89 Ų8956 Ų5648%0.47629%0.294SS..  trans-61.5128.8173.8-172.8-48.9000110.1S60 H61 A64D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 PolarHBondContact O-N 2.94Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.13Å; D58-H61 HydrophobicContact CB-CB 4.29Å; D58-H61 WeakPolarHBondContact O-CB 3.43Å; D58-H61 PolarHBondContact O-N 3.48Å; D58-A64 WeakPolarHBondContact O-CB 3.47Å
59P75.8Confident84.6Confident100 Ų10054.4 Ų54.465%0.64929%0.287SS*.THydrogen-bonded Turntrans-58.1-24.7179.2-25.634.9000115.3H61P59-H61 VanDerWaalsContact C-N 3.33Å
60S71.4Confident84.9Confident48 Ų4854.5 Ų54.534%0.33629%0.287SS..THydrogen-bonded Turntrans-77-20.5175.869.90000112.9D58D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 PolarHBondContact O-N 2.94Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.13Å
61H73.9Confident85.3Confident38 Ų3853.2 Ų53.218%0.17628%0.282CS..SBendtrans-65.3134.8-177.4-168.1-76.8000111.1I57 D58 P59 M63 A64 T689I57-H61 HydrophobicContact CD1-CB 4.23Å; I57-H61 HydrophobicContact CG1-CB 3.95Å; D58-H61 HydrophobicContact CB-CB 4.29Å; D58-H61 WeakPolarHBondContact O-CB 3.43Å; D58-H61 PolarHBondContact O-N 3.48Å; P59-H61 VanDerWaalsContact C-N 3.33Å; H61-M63 WeakPolarHBondContact ND1-CB 3.49Å; H61-M63 PolarHBondContact ND1-N 3.49Å; H61-M63 VanDerWaalsContact ND1-N 3.11Å; H61-M63 PolarHBondContact O-N 3.35Å; H61-M63 VanDerWaalsContact O-N 3.13Å; H61-A64 VanDerWaalsContact O-CB 3.24Å; H61-A64 WeakPolarHBondContact O-CB 3.41Å; H61-A64 PolarHBondContact O-N 3.01Å; H61-T689 WeakPolarHBondContact CD2-CG2 3.41Å; H61-T689 WeakPolarHBondContact NE2-CG2 3.35Å
62P78.5Confident85.8Confident91 Ų9151 Ų5159%0.59127%0.267SS*.G310 helixtrans-53.8-39.4-178.2-28.735000114A64 K65P62-A64 PolarHBondContact O-N 2.99Å; P62-K65 PolarHBondContact O-N 3.11Å
63M83.9Confident86.1Confident43 Ų4350 Ų5021%0.21226%0.262CS..G310 helixtrans-65-19.9177.4-65.7175.661.800114.4Q48 F49 I52 I57 H61 K65 L66Q48-M63 VanDerWaalsContact O-CE 3.32Å; Q48-M63 WeakPolarHBondContact O-CE 3.4Å; F49-M63 HydrophobicContact CD1-CE 3.41Å; F49-M63 VanDerWaalsContact CD1-CE 3.41Å; F49-M63 HydrophobicContact CE1-CE 3.68Å; I52-M63 HydrophobicContact CD1-CB 4.14Å; I52-M63 HydrophobicContact CD1-CE 4.01Å; I52-M63 WeakPolarHBondContact CD1-O 3.24Å; I57-M63 HydrophobicContact CD1-CB 3.66Å; H61-M63 WeakPolarHBondContact ND1-CB 3.49Å; H61-M63 PolarHBondContact ND1-N 3.49Å; H61-M63 VanDerWaalsContact ND1-N 3.11Å; H61-M63 PolarHBondContact O-N 3.35Å; H61-M63 VanDerWaalsContact O-N 3.13Å; M63-K65 PolarHBondContact O-N 3.08Å; M63-K65 VanDerWaalsContact O-N 3.16Å; M63-L66 HydrophobicContact CB-CD1 3.78Å; M63-L66 HydrophobicContact CE-CD1 4.49Å; M63-L66 HydrophobicContact CG-CD1 3.78Å; M63-L66 WeakPolarHBondContact O-CB 3.43Å; M63-L66 PolarHBondContact O-N 2.96Å; M63-L66 VanDerWaalsContact O-N 3.08Å
64A84.1Confident86.5Confident36 Ų3649.6 Ų49.630%0.29826%0.26SS..G310 helixtrans-64.6-19.5177.800000112.8I57 D58 H61 P62I57-A64 HydrophobicContact CG1-CB 4.5Å; I57-A64 HydrophobicContact CG2-CB 3.86Å; D58-A64 WeakPolarHBondContact O-CB 3.47Å; H61-A64 VanDerWaalsContact O-CB 3.24Å; H61-A64 WeakPolarHBondContact O-CB 3.41Å; H61-A64 PolarHBondContact O-N 3.01Å; P62-A64 PolarHBondContact O-N 2.99Å
65K86.4Confident87Confident170 Ų17048.4 Ų48.474%0.73925%0.254SS*.G310 helixtrans-91.5-5177.4-59179.4-171173.70113.4P62 M63 R67P62-K65 PolarHBondContact O-N 3.11Å; M63-K65 PolarHBondContact O-N 3.08Å; M63-K65 VanDerWaalsContact O-N 3.16Å; K65-R67 PolarHBondContact O-N 3.02Å
66L91.4Very high87.7Confident16 Ų1644.4 Ų44.48%0.08423%0.233CC..  trans-67.5127.7178.7-78.8161.8000110.3Q24 V26 F49 I52 M63 F106Q24-L66 HydrophobicContact CB-CD2 4.01Å; Q24-L66 HydrophobicContact CG-CD2 4.36Å; V26-L66 HydrophobicContact CG2-CD1 4.11Å; V26-L66 HydrophobicContact CG2-CD2 4Å; F49-L66 HydrophobicContact CE1-CD1 4.29Å; I52-L66 HydrophobicContact CD1-CB 4.41Å; I52-L66 HydrophobicContact CD1-CD1 4.31Å; M63-L66 HydrophobicContact CB-CD1 3.78Å; M63-L66 HydrophobicContact CE-CD1 4.49Å; M63-L66 HydrophobicContact CG-CD1 3.78Å; M63-L66 WeakPolarHBondContact O-CB 3.43Å; M63-L66 PolarHBondContact O-N 2.96Å; M63-L66 VanDerWaalsContact O-N 3.08Å; L66-F106 HydrophobicContact CB-CD2 4.05Å; L66-F106 HydrophobicContact CB-CE2 4Å; L66-F106 WeakPolarHBondContact O-CD2 3.24Å
67R94.5Very high88.2Confident167 Ų16744.4 Ų44.463%0.6323%0.226SC*.SBendtrans-102.7-37.2171.5-68.5-18067.2177.55.1112.4K65 F106 D108K65-R67 PolarHBondContact O-N 3.02Å; R67-F106 PolarHBondContact O-N 2.88Å; R67-D108 IonicContact CZ-OD1 2.95Å; R67-D108 IonicContact NE-OD1 3.19Å; R67-D108 PolarHBondContact NE-OD1 2.99Å; R67-D108 VanDerWaalsContact NE-OD1 3.08Å; R67-D108 IonicContact NH2-OD1 3.45Å; R67-D108 PolarHBondContact NH2-OD1 3.1Å
68R97.2Very high88.1Confident43 Ų4343.3 Ų43.316%0.16222%0.221CC..EExtended strand (participates in β ladder)trans-140.5137.3-179.8-63.9-176.3-174.9173.55.9109.4Y21 H23 Q24 W104 D108 Y109Y21-R68 PolarHBondContact O-NH1 2.88Å; H23-R68 HydrophobicContact CB-CB 4.21Å; Q24-R68 PolarHBondContact N-O 3.12Å; Q24-R68 VanDerWaalsContact N-O 3.11Å; R68-W104 VanDerWaalsContact CA-O 3.27Å; R68-W104 WeakPolarHBondContact CA-O 3.42Å; R68-D108 HydrophobicContact CG-CB 4.45Å; R68-D108 IonicContact CZ-OD2 3.89Å; R68-D108 IonicContact NE-OD2 3.43Å; R68-D108 PolarHBondContact NE-OD2 2.82Å; R68-D108 IonicContact NH2-OD2 3.37Å; R68-D108 PolarHBondContact NH2-OD2 2.95Å; R68-Y109 HydrophobicContact CG-CD1 4.31Å; R68-Y109 HydrophobicContact CG-CE1 4.01Å
69A97.4Very high87.9Confident0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-137149.2177.800000111.2H23 Q24 V26 F49 S103 W104 F106H23-A69 PolarHBondContact CD2-O 2.96Å; Q24-A69 CarbonylContact O-C 3.52Å; Q24-A69 VanDerWaalsContact O-CA 3.29Å; Q24-A69 WeakPolarHBondContact O-CA 3.48Å; V26-A69 HydrophobicContact CG2-CB 3.86Å; F49-A69 HydrophobicContact CE1-CB 4.17Å; F49-A69 HydrophobicContact CE2-CB 4.48Å; F49-A69 HydrophobicContact CZ-CB 3.85Å; A69-S103 CarbonylContact O-C 3.5Å; A69-S103 WeakPolarHBondContact O-CA 3.32Å; A69-W104 HydrophobicContact CB-CB 4.44Å; A69-W104 HydrophobicContact CB-CE3 4.07Å; A69-W104 PolarHBondContact N-O 2.86Å; A69-W104 PolarHBondContact O-N 3.05Å; A69-F106 HydrophobicContact CB-CE2 4.07Å; A69-F106 HydrophobicContact CB-CZ 4.49Å
70A97.8Very high87.4Confident1 Ų138.5 Ų38.51%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-140.9142.517000000110.5F18 H23 Q24 Y25 V26 G102F18-A70 HydrophobicContact CB-CB 3.55Å; F18-A70 HydrophobicContact CG-CB 4.1Å; H23-A70 HydrophobicContact CB-CB 3.91Å; Q24-A70 PolarHBondContact O-N 2.92Å; Y25-A70 WeakPolarHBondContact CA-O 3.45Å; Y25-A70 WeakPolarHBondContact CD2-O 3.35Å; V26-A70 PolarHBondContact N-O 3.4Å; A70-G102 VanDerWaalsContact CA-O 3.25Å; A70-G102 WeakPolarHBondContact CA-O 3.47Å
71N96.8Very high86.9Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-158.7178.8177.489.2-10.4000113.8Y25 V26 Q48 Q73 L101 G102 W104Y25-N71 HydrophobicContact CE2-CB 4.31Å; V26-N71 WeakPolarHBondContact O-CB 3.17Å; V26-N71 PolarHBondContact O-ND2 3.17Å; Q48-N71 PolarHBondContact NE2-ND2 3.4Å; N71-Q73 PolarHBondContact ND2-OE1 3.17Å; N71-Q73 PolarHBondContact OD1-N 3.23Å; N71-L101 WeakPolarHBondContact O-CA 3.26Å; N71-G102 PolarHBondContact N-O 2.83Å; N71-G102 PolarHBondContact O-N 3.25Å; N71-W104 HydrophobicContact CB-CZ3 4.22Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.47Å; N71-W104 VanDerWaalsContact OD1-CZ3 3.29Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.34Å
72T96.9Very high86.6Confident3 Ų342.6 Ų42.62%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-105.6112.2156176.20000107.8R11 S28 E99 F361R11-T72 HydrophobicContact CG-CG2 4.1Å; S28-T72 WeakPolarHBondContact CB-O 3.44Å; T72-E99 WeakPolarHBondContact OG1-CB 3.37Å; T72-E99 PolarHBondContact OG1-OE2 3.09Å; T72-F361 HydrophobicContact CG2-CE1 4.27Å; T72-F361 HydrophobicContact CG2-CZ 4.23Å
73Q96.3Very high86.6Confident0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-94.5132.8179.1-179.959.440.600110.3S28 S29 N71 C75 M100S28-Q73 VanDerWaalsContact OG-CD 3.23Å; S28-Q73 PolarHBondContact OG-NE2 3.13Å; S28-Q73 VanDerWaalsContact OG-NE2 3.12Å; S28-Q73 PolarHBondContact OG-OE1 3.36Å; S29-Q73 PolarHBondContact O-NE2 3.42Å; S29-Q73 PolarHBondContact OG-NE2 3.05Å; N71-Q73 PolarHBondContact ND2-OE1 3.17Å; N71-Q73 PolarHBondContact OD1-N 3.23Å; Q73-C75 PolarHBondContact O-N 3.39Å; Q73-M100 PolarHBondContact N-O 3.33Å; Q73-M100 PolarHBondContact O-N 2.89Å
74K96.5Very high86.6Confident2 Ų239.9 Ų39.91%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-66.4118.4166.6-64.5174.7-64.1-178.70109.6S28 S29 T31 F97 I307 D311 F361 E363S28-K74 WeakPolarHBondContact OG-CE 3.39Å; S28-K74 PolarHBondContact OG-N 3.11Å; S29-K74 WeakPolarHBondContact O-CE 3.21Å; T31-K74 HydrophobicContact CG2-CB 3.49Å; T31-K74 VanDerWaalsContact CG2-CB 3.49Å; T31-K74 HydrophobicContact CG2-CD 4.47Å; K74-F97 HydrophobicContact CB-CE2 3.81Å; K74-F97 HydrophobicContact CG-CE2 4.08Å; K74-F97 HydrophobicContact CG-CZ 4.37Å; K74-I307 HydrophobicContact CD-CG2 3.84Å; K74-I307 HydrophobicContact CG-CG2 4.48Å; K74-D311 VanDerWaalsContact NZ-CG 3.26Å; K74-D311 IonicContact NZ-OD1 3.09Å; K74-D311 PolarHBondContact NZ-OD1 3.1Å; K74-D311 IonicContact NZ-OD2 2.67Å; K74-D311 PolarHBondContact NZ-OD2 3.17Å; K74-F361 HydrophobicContact CD-CD1 3.7Å; K74-F361 HydrophobicContact CD-CD2 4.29Å; K74-F361 HydrophobicContact CD-CE1 3.94Å; K74-F361 HydrophobicContact CD-CE2 4.5Å; K74-F361 HydrophobicContact CD-CG 3.92Å; K74-F361 HydrophobicContact CD-CZ 4.34Å; K74-F361 HydrophobicContact CG-CD1 3.78Å; K74-F361 HydrophobicContact CG-CD2 4.24Å; K74-F361 HydrophobicContact CG-CE1 3.45Å; K74-F361 VanDerWaalsContact CG-CE1 3.45Å; K74-F361 HydrophobicContact CG-CE2 3.94Å; K74-F361 HydrophobicContact CG-CG 4.19Å; K74-F361 HydrophobicContact CG-CZ 3.55Å; K74-E363 WeakPolarHBondContact CE-OE1 3.5Å; K74-E363 IonicContact NZ-OE1 3.57Å; K74-E363 PolarHBondContact NZ-OE1 3.12Å
75C95.4Very high86.6Confident0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-121.8136.3178.3-67.50000111.4A42 Q73 F97 F98A42-C75 CarbonylContact O-C 3.3Å; A42-C75 VanDerWaalsContact O-CA 3.31Å; A42-C75 WeakPolarHBondContact O-CA 3.49Å; Q73-C75 PolarHBondContact O-N 3.39Å; C75-F97 WeakPolarHBondContact O-CA 3.28Å; C75-F97 WeakPolarHBondContact O-CD2 3.47Å; C75-F98 HydrophobicContact CB-CD1 4.38Å; C75-F98 HydrophobicContact CB-CD2 4.44Å; C75-F98 HydrophobicContact CB-CE1 3.91Å; C75-F98 HydrophobicContact CB-CE2 4Å; C75-F98 HydrophobicContact CB-CZ 3.7Å; C75-F98 PolarHBondContact N-O 3.28Å; C75-F98 PolarHBondContact O-N 2.77Å; C75-F98 VanDerWaalsContact O-N 3.09Å
76I94.5Very high86.2Confident2 Ų233.3 Ų33.31%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-117.8124.9172.3-63.1177.2000109.4T31 F41 A42 A78 T96 F97 T304T31-I76 HydrophobicContact CG2-CD1 3.94Å; T31-I76 HydrophobicContact CG2-CG1 4.04Å; F41-I76 HydrophobicContact CB-CB 3.83Å; F41-I76 HydrophobicContact CB-CG2 4.16Å; F41-I76 HydrophobicContact CD1-CB 4.42Å; F41-I76 HydrophobicContact CD1-CD1 4.02Å; F41-I76 HydrophobicContact CD1-CG2 4.33Å; F41-I76 HydrophobicContact CD2-CG2 3.93Å; F41-I76 HydrophobicContact CE1-CD1 4.47Å; F41-I76 HydrophobicContact CE2-CG2 4.44Å; F41-I76 HydrophobicContact CG-CB 4.02Å; F41-I76 HydrophobicContact CG-CD1 4.48Å; F41-I76 HydrophobicContact CG-CG2 3.88Å; A42-I76 PolarHBondContact O-N 2.94Å; I76-A78 HydrophobicContact CG2-CB 3.99Å; I76-T96 CarbonylContact C-O 3.6Å; I76-T96 VanDerWaalsContact CA-O 3.22Å; I76-T96 WeakPolarHBondContact CA-O 3.26Å; I76-F97 HydrophobicContact CG1-CD2 4.25Å; I76-T304 HydrophobicContact CD1-CG2 3.99Å; I76-T304 HydrophobicContact CG1-CG2 4.2Å; I76-T304 HydrophobicContact CG2-CG2 4.21Å
77R90.6Very high85.9Confident60 Ų6035.8 Ų35.823%0.22619%0.185CC..  trans-113.878.5172.2-75.1-178.1-174.7-177.71.2109.9H82 D84 T96 F98R77-H82 HydrophobicContact CG-CB 4.2Å; R77-D84 HydrophobicContact CB-CB 4.45Å; R77-D84 WeakPolarHBondContact CD-OD2 3.48Å; R77-D84 PolarHBondContact O-N 2.87Å; R77-D84 VanDerWaalsContact O-N 3.12Å; R77-T96 PolarHBondContact N-O 3.27Å; R77-F98 HydrophobicContact CB-CE1 4.41Å; R77-F98 HydrophobicContact CG-CE1 3.8Å; R77-F98 HydrophobicContact CG-CZ 4.45Å
78A79.8Confident85.6Confident1 Ų127.8 Ų27.81%0.00816%0.155CC..  trans-142.5114.4175.300000109.4I76 L85 T96 V323 I327I76-A78 HydrophobicContact CG2-CB 3.99Å; A78-L85 HydrophobicContact CB-CB 4.44Å; A78-T96 HydrophobicContact CB-CG2 4.49Å; A78-V323 HydrophobicContact CB-CG1 3.67Å; A78-V323 WeakPolarHBondContact O-CG1 3.19Å; A78-I327 HydrophobicContact CB-CD1 3.72Å
79G67.1Low85.1Confident23 Ų2325.8 Ų25.824%0.23715%0.147CC..SBendtrans80.6161.4-173.400000114.8N83G79-N83 PolarHBondContact N-OD1 3.08Å
80G64.4Low84.6Confident65 Ų6530.2 Ų30.267%0.6717%0.166SC*.SBendtrans78.3-156.5-175.100000113.5
81K61.9Low84.2Confident118 Ų11831.4 Ų31.451%0.51317%0.173SC..SBendtrans-64.7-37.2179.9-174.8-178.8-179.6-176.40113.1E177K81-E177 IonicContact NZ-OE2 3.49Å; K81-E177 PolarHBondContact NZ-OE2 3.41Å
82H66.8Low83.9Confident54 Ų5432.7 Ų32.725%0.2518%0.18CC..SBendtrans-107.798.7179.2-59.6-73000109.5R77R77-H82 HydrophobicContact CG-CB 4.2Å
83N77.9Confident83.4Confident51 Ų5134.2 Ų34.227%0.27319%0.186SC..  trans-134.3101.6-172.4176.639.1000111.7G79 L85G79-N83 PolarHBondContact N-OD1 3.08Å; N83-L85 WeakPolarHBondContact OD1-CB 3.4Å; N83-L85 PolarHBondContact OD1-N 2.68Å
84D85.4Confident83.2Confident25 Ų2535.7 Ų35.713%0.13419%0.193CC..  trans-98.51.2-177.4-56.8-18.4000111.7R77 D86 D87 V88 H94R77-D84 HydrophobicContact CB-CB 4.45Å; R77-D84 WeakPolarHBondContact CD-OD2 3.48Å; R77-D84 PolarHBondContact O-N 2.87Å; R77-D84 VanDerWaalsContact O-N 3.12Å; D84-D86 PolarHBondContact O-N 2.84Å; D84-D86 VanDerWaalsContact O-N 3.17Å; D84-D87 PolarHBondContact O-N 3.23Å; D84-V88 WeakPolarHBondContact O-CG2 3.49Å; D84-V88 PolarHBondContact O-N 2.91Å; D84-V88 VanDerWaalsContact O-N 3.07Å; D84-H94 HydrophobicContact CB-CB 4.45Å
85L84.2Confident83.1Confident0 Ų036 Ų360%019%0.194CC..THydrogen-bonded Turntrans-55.4-39.4-173176.756.7000112.8A78 N83 D87 T96 R326 I327 R330A78-L85 HydrophobicContact CB-CB 4.44Å; N83-L85 WeakPolarHBondContact OD1-CB 3.4Å; N83-L85 PolarHBondContact OD1-N 2.68Å; L85-D87 VanDerWaalsContact C-N 3.33Å; L85-T96 HydrophobicContact CB-CG2 4.2Å; L85-T96 HydrophobicContact CD1-CG2 3.67Å; L85-R326 HydrophobicContact CD2-CG 4.15Å; L85-I327 HydrophobicContact CD1-CG1 3.88Å; L85-I327 HydrophobicContact CD2-CG1 4.16Å; L85-R330 VanDerWaalsContact O-CZ 3.24Å; L85-R330 PolarHBondContact O-NH1 2.83Å; L85-R330 PolarHBondContact O-NH2 2.88Å
86D77.6Confident83Confident68 Ų6836 Ų3636%0.36419%0.194SC..THydrogen-bonded Turntrans-78.4-19.7-176-68.8-52.9000113D84 K90 R326D84-D86 PolarHBondContact O-N 2.84Å; D84-D86 VanDerWaalsContact O-N 3.17Å; D86-K90 WeakPolarHBondContact O-CD 3.49Å; D86-K90 WeakPolarHBondContact O-CE 3.37Å; D86-R326 VanDerWaalsContact CG-NH2 3.31Å; D86-R326 IonicContact OD1-CZ 3.63Å; D86-R326 IonicContact OD1-NH2 2.75Å; D86-R326 PolarHBondContact OD1-NH2 2.84Å; D86-R326 IonicContact OD2-CZ 2.72Å; D86-R326 IonicContact OD2-NH1 3.91Å; D86-R326 IonicContact OD2-NH2 3.51Å; D86-R326 PolarHBondContact OD2-NH2 3.42Å; D86-R326 VanDerWaalsContact OD2-NH2 3.09Å
87D84.9Confident83.1Confident68 Ų6835.9 Ų35.936%0.36419%0.194SC..THydrogen-bonded Turntrans-89.1-31.2178.8-59.6-51.5000112.5D84 L85 G89 K90 H94D84-D87 PolarHBondContact O-N 3.23Å; L85-D87 VanDerWaalsContact C-N 3.33Å; D87-G89 PolarHBondContact O-N 3.46Å; D87-G89 VanDerWaalsContact O-N 3.15Å; D87-K90 WeakPolarHBondContact O-CB 3.42Å; D87-K90 PolarHBondContact O-N 3.42Å; D87-H94 HydrophobicContact CB-CB 4.19Å
88V89.3Confident83.4Confident0 Ų034 Ų340%019%0.187CC..THydrogen-bonded Turntrans-51.7124.8177.4171.30000111.5D84 K90 T96 D300 R330D84-V88 WeakPolarHBondContact O-CG2 3.49Å; D84-V88 PolarHBondContact O-N 2.91Å; D84-V88 VanDerWaalsContact O-N 3.07Å; V88-K90 VanDerWaalsContact C-N 3.35Å; V88-T96 HydrophobicContact CB-CG2 4.48Å; V88-T96 HydrophobicContact CG2-CG2 3.78Å; V88-D300 HydrophobicContact CG1-CB 3.88Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.25Å; V88-R330 PolarHBondContact O-NH1 3.28Å; V88-R330 PolarHBondContact O-NH2 2.99Å
89G85.8Confident84.2Confident0 Ų034 Ų340%019%0.187CC..THydrogen-bonded Turntrans92.7-24.8-178.500000114.6D87 M293 R296D87-G89 PolarHBondContact O-N 3.46Å; D87-G89 VanDerWaalsContact O-N 3.15Å; G89-M293 WeakPolarHBondContact O-CG 3.35Å; G89-R296 PolarHBondContact O-NE 2.72Å; G89-R296 PolarHBondContact O-NH2 2.8Å
90K87Confident85.7Confident94 Ų9433.6 Ų33.641%0.40918%0.179SC..THydrogen-bonded Turntrans-78.3-36.8178.4-63.2-175177.3-1750111.6D86 D87 V88 M293 E430D86-K90 WeakPolarHBondContact O-CD 3.49Å; D86-K90 WeakPolarHBondContact O-CE 3.37Å; D87-K90 WeakPolarHBondContact O-CB 3.42Å; D87-K90 PolarHBondContact O-N 3.42Å; V88-K90 VanDerWaalsContact C-N 3.35Å; K90-M293 HydrophobicContact CG-SD 4.39Å; K90-E430 IonicContact NZ-OE1 2.73Å; K90-E430 IonicContact NZ-OE2 2.99Å
91D89Confident87.3Confident26 Ų2630.5 Ų30.514%0.13915%0.147CC..SBendtrans-112.1-168.4173.765.361.5000112.7Y93 H94 R296D91-Y93 HydrophobicContact CB-CD1 4.3Å; D91-Y93 HydrophobicContact CB-CE1 4.01Å; D91-Y93 PolarHBondContact OD1-N 3.28Å; D91-H94 VanDerWaalsContact CG-ND1 3.31Å; D91-H94 IonicContact OD1-CG 3.68Å; D91-H94 PolarHBondContact OD1-N 2.79Å; D91-H94 IonicContact OD1-ND1 3.97Å; D91-H94 IonicContact OD2-CE1 3.9Å; D91-H94 IonicContact OD2-CG 2.87Å; D91-H94 IonicContact OD2-ND1 2.9Å; D91-H94 PolarHBondContact OD2-ND1 3.31Å; D91-R296 WeakPolarHBondContact O-CD 3.46Å; D91-R296 PolarHBondContact O-NE 3.09Å
92V90.3Very high88.9Confident27 Ų2724.9 Ų24.916%0.16412%0.123CC..SBendtrans-111.74.7-170.7-62.30000113.8S256 N257 Y258 V283V92-S256 WeakPolarHBondContact CB-OG 3.45Å; V92-S256 PolarHBondContact O-OG 3.46Å; V92-N257 PolarHBondContact O-N 3.34Å; V92-Y258 WeakPolarHBondContact O-CD2 3.49Å; V92-V283 HydrophobicContact CG1-CG1 3.7Å
93Y87.8Confident90.4Very high34 Ų3422.4 Ų22.413%0.13311%0.112CC..SBendtrans-143.5-17.7-169.460-92.8000116.9D91 H95 D207 P209 N257D91-Y93 HydrophobicContact CB-CD1 4.3Å; D91-Y93 HydrophobicContact CB-CE1 4.01Å; D91-Y93 PolarHBondContact OD1-N 3.28Å; Y93-H95 PolarHBondContact O-CD2 3Å; Y93-D207 PolarHBondContact OH-O 3.47Å; Y93-P209 HydrophobicContact CE1-CB 4.29Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.5Å; Y93-N257 PolarHBondContact O-ND2 3.4Å
94H90.9Very high91.3Very high32 Ų3220 Ų2015%0.14810%0.099CC..  trans-81.1145.8173-70.8109.3000112.1D84 D87 D91 Y258D84-H94 HydrophobicContact CB-CB 4.45Å; D87-H94 HydrophobicContact CB-CB 4.19Å; D91-H94 VanDerWaalsContact CG-ND1 3.31Å; D91-H94 IonicContact OD1-CG 3.68Å; D91-H94 PolarHBondContact OD1-N 2.79Å; D91-H94 IonicContact OD1-ND1 3.97Å; D91-H94 IonicContact OD2-CE1 3.9Å; D91-H94 IonicContact OD2-CG 2.87Å; D91-H94 IonicContact OD2-ND1 2.9Å; D91-H94 PolarHBondContact OD2-ND1 3.31Å; H94-Y258 PolarHBondContact O-OH 3.37Å
95H94.3Very high91.9Very high7 Ų718.8 Ų18.83%0.0329%0.092CC..  trans-141.6146.3-178.3-57.3-65.3000109.9Y93 F97 F98 N257 Y258 F263 D300Y93-H95 PolarHBondContact O-CD2 3Å; H95-F97 VanDerWaalsContact CB-O 3.26Å; H95-F97 WeakPolarHBondContact CB-O 3.46Å; H95-F98 HydrophobicContact CB-CB 4.33Å; H95-N257 WeakPolarHBondContact NE2-CB 3.09Å; H95-N257 PolarHBondContact NE2-ND2 3.38Å; H95-Y258 AromaticContact CE1-CE1 3.78Å; H95-Y258 AromaticContact CE1-CE2 3.86Å; H95-Y258 AromaticContact CE1-CZ 3.53Å; H95-Y258 AromaticContact ND1-CE1 3.82Å; H95-Y258 AromaticContact ND1-CZ 3.55Å; H95-Y258 PolarHBondContact ND1-OH 2.92Å; H95-F263 AromaticContact CE1-CE2 3.64Å; H95-F263 AromaticContact CE1-CZ 3.26Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.43Å; H95-F263 AromaticContact ND1-CZ 3.52Å; H95-D300 VanDerWaalsContact CA-OD1 3.29Å; H95-D300 WeakPolarHBondContact CA-OD1 3.23Å; H95-D300 WeakPolarHBondContact CB-OD1 3.49Å; H95-D300 IonicContact ND1-OD1 3.39Å
96T94.4Very high92.4Very high0 Ų019.6 Ų19.60%010%0.096CC..SBendtrans-78.8-31.1170.2570000110.9I76 R77 A78 L85 V88 D300 T304I76-T96 CarbonylContact C-O 3.6Å; I76-T96 VanDerWaalsContact CA-O 3.22Å; I76-T96 WeakPolarHBondContact CA-O 3.26Å; R77-T96 PolarHBondContact N-O 3.27Å; A78-T96 HydrophobicContact CB-CG2 4.49Å; L85-T96 HydrophobicContact CB-CG2 4.2Å; L85-T96 HydrophobicContact CD1-CG2 3.67Å; V88-T96 HydrophobicContact CB-CG2 4.48Å; V88-T96 HydrophobicContact CG2-CG2 3.78Å; T96-D300 WeakPolarHBondContact CB-OD2 3.43Å; T96-D300 PolarHBondContact N-OD1 3.49Å; T96-D300 PolarHBondContact N-OD2 2.93Å; T96-D300 PolarHBondContact OG1-OD2 3.06Å; T96-T304 WeakPolarHBondContact OG1-CB 3.49Å; T96-T304 PolarHBondContact OG1-OG1 3.38Å
97F96.2Very high93.1Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-121.9132.8172167-97.6000110.2K74 C75 I76 H95 E99 D300 R303 T304 I307 L357 F361K74-F97 HydrophobicContact CB-CE2 3.81Å; K74-F97 HydrophobicContact CG-CE2 4.08Å; K74-F97 HydrophobicContact CG-CZ 4.37Å; C75-F97 WeakPolarHBondContact O-CA 3.28Å; C75-F97 WeakPolarHBondContact O-CD2 3.47Å; I76-F97 HydrophobicContact CG1-CD2 4.25Å; H95-F97 VanDerWaalsContact CB-O 3.26Å; H95-F97 WeakPolarHBondContact CB-O 3.46Å; F97-E99 HydrophobicContact CZ-CG 4.07Å; F97-D300 PolarHBondContact N-OD1 3.1Å; F97-R303 HydrophobicContact CD1-CB 3.77Å; F97-R303 HydrophobicContact CE1-CB 4.45Å; F97-T304 HydrophobicContact CB-CG2 4.16Å; F97-T304 WeakPolarHBondContact CB-OG1 3.45Å; F97-T304 PolarHBondContact N-OG1 3.13Å; F97-I307 HydrophobicContact CD1-CD1 3.78Å; F97-I307 HydrophobicContact CD2-CD1 3.76Å; F97-I307 HydrophobicContact CD2-CG2 4.45Å; F97-I307 HydrophobicContact CE1-CD1 3.28Å; F97-I307 HydrophobicContact CE2-CD1 3.27Å; F97-I307 HydrophobicContact CE2-CG2 4.28Å; F97-I307 HydrophobicContact CG-CD1 4.01Å; F97-I307 HydrophobicContact CZ-CD1 3.02Å; F97-I307 HydrophobicContact CZ-CG1 4.49Å; F97-L357 HydrophobicContact CE1-CD1 3.97Å; F97-F361 HydrophobicContact CZ-CE2 4.43Å
98F96.2Very high93.6Very high22 Ų2217.1 Ų17.110%0.0969%0.092CC..EExtended strand (participates in β ladder)trans-147.4163.1172.966.7-83.6000110.5C75 R77 H95 M100 E245C75-F98 HydrophobicContact CB-CD1 4.38Å; C75-F98 HydrophobicContact CB-CD2 4.44Å; C75-F98 HydrophobicContact CB-CE1 3.91Å; C75-F98 HydrophobicContact CB-CE2 4Å; C75-F98 HydrophobicContact CB-CZ 3.7Å; C75-F98 PolarHBondContact N-O 3.28Å; C75-F98 PolarHBondContact O-N 2.77Å; C75-F98 VanDerWaalsContact O-N 3.09Å; R77-F98 HydrophobicContact CB-CE1 4.41Å; R77-F98 HydrophobicContact CG-CE1 3.8Å; R77-F98 HydrophobicContact CG-CZ 4.45Å; H95-F98 HydrophobicContact CB-CB 4.33Å; F98-M100 HydrophobicContact CE2-CB 4.06Å; F98-M100 HydrophobicContact CE2-CE 3.64Å; F98-M100 HydrophobicContact CZ-CE 3.8Å; F98-E245 WeakPolarHBondContact CB-OE2 3.39Å
99E97.6Very high93.9Very high0 Ų018 Ų180%010%0.095CC..EExtended strand (participates in β ladder)trans-94.5121.1174.7-75.8-179.2-10600109.9R11 T72 F97 L244 E245 F361R11-E99 IonicContact CZ-OE1 2.76Å; R11-E99 IonicContact CZ-OE2 2.74Å; R11-E99 VanDerWaalsContact CZ-OE2 3.31Å; R11-E99 IonicContact NE-OE1 3.42Å; R11-E99 IonicContact NE-OE2 3.32Å; R11-E99 PolarHBondContact NE-OE2 3.26Å; R11-E99 VanDerWaalsContact NH2-CD 3.31Å; R11-E99 IonicContact NH2-OE1 3.99Å; R11-E99 PolarHBondContact NH2-OE1 3.13Å; R11-E99 IonicContact NH2-OE2 3.45Å; R11-E99 PolarHBondContact NH2-OE2 3.4Å; R11-E99 VanDerWaalsContact NH2-OE2 3.11Å; T72-E99 WeakPolarHBondContact OG1-CB 3.37Å; T72-E99 PolarHBondContact OG1-OE2 3.09Å; F97-E99 HydrophobicContact CZ-CG 4.07Å; E99-L244 HydrophobicContact CB-CB 3.82Å; E99-L244 HydrophobicContact CB-CD2 3.88Å; E99-L244 HydrophobicContact CG-CD2 4.32Å; E99-L244 PolarHBondContact O-N 3.09Å; E99-L244 WeakPolarHBondContact OE1-CD2 3.31Å; E99-E245 PolarHBondContact N-OE1 3.3Å; E99-E245 PolarHBondContact N-OE2 2.97Å; E99-E245 VanDerWaalsContact N-OE2 3.14Å; E99-F361 HydrophobicContact CG-CE2 4Å; E99-F361 HydrophobicContact CG-CZ 3.92Å
100M97Very high94.4Very high15 Ų1519.8 Ų19.87%0.07410%0.103CC..EExtended strand (participates in β ladder)trans-96104.4172.9-169.8174.9-66.300109.3A44 G45 Q73 F98 G102A44-M100 HydrophobicContact CB-CE 4.38Å; A44-M100 HydrophobicContact CB-SD 4.37Å; G45-M100 PolarHBondContact N-SD 3.06Å; Q73-M100 PolarHBondContact N-O 3.33Å; Q73-M100 PolarHBondContact O-N 2.89Å; F98-M100 HydrophobicContact CE2-CB 4.06Å; F98-M100 HydrophobicContact CE2-CE 3.64Å; F98-M100 HydrophobicContact CZ-CE 3.8Å; M100-G102 PolarHBondContact O-N 3Å
101L98.2Very high94.9Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-68.9124.6166.8-58.4178.1000108.2R11 F14 N71 M242 L244 L247R11-L101 HydrophobicContact CG-CD2 4.1Å; F14-L101 HydrophobicContact CB-CD1 4.12Å; F14-L101 HydrophobicContact CD1-CB 4.06Å; F14-L101 HydrophobicContact CD1-CD2 4.2Å; F14-L101 HydrophobicContact CD1-CG 4.5Å; F14-L101 HydrophobicContact CD2-CB 3.94Å; F14-L101 HydrophobicContact CD2-CD1 3.88Å; F14-L101 HydrophobicContact CD2-CG 4.46Å; F14-L101 HydrophobicContact CE1-CB 3.87Å; F14-L101 HydrophobicContact CE2-CB 3.73Å; F14-L101 HydrophobicContact CE2-CD1 4.46Å; F14-L101 HydrophobicContact CG-CB 4.13Å; F14-L101 HydrophobicContact CG-CD1 3.94Å; F14-L101 HydrophobicContact CG-CD2 4.38Å; F14-L101 HydrophobicContact CG-CG 4.39Å; F14-L101 HydrophobicContact CZ-CB 3.72Å; N71-L101 WeakPolarHBondContact O-CA 3.26Å; L101-M242 HydrophobicContact CB-CB 4.13Å; L101-M242 HydrophobicContact CD1-CG 4.46Å; L101-M242 HydrophobicContact CD1-SD 3.95Å; L101-M242 PolarHBondContact N-O 3.14Å; L101-M242 PolarHBondContact O-N 2.95Å; L101-L244 HydrophobicContact CD1-CB 4.37Å; L101-L244 HydrophobicContact CD1-CD1 3.84Å; L101-L244 HydrophobicContact CD2-CD1 4.38Å; L101-L244 HydrophobicContact CG-CB 4.14Å; L101-L244 HydrophobicContact CG-CD1 4.3Å; L101-L247 HydrophobicContact CD1-CD2 4.26Å
102G96.6Very high95.4Very high0 Ų019.4 Ų19.40%010%0.102CC..EExtended strand (participates in β ladder)trans-141.5153.6-176.500000113.8A70 N71 M100 W104 T240A70-G102 VanDerWaalsContact CA-O 3.25Å; A70-G102 WeakPolarHBondContact CA-O 3.47Å; N71-G102 PolarHBondContact N-O 2.83Å; N71-G102 PolarHBondContact O-N 3.25Å; M100-G102 PolarHBondContact O-N 3Å; G102-W104 VanDerWaalsContact C-CZ3 3.49Å; G102-W104 VanDerWaalsContact CA-CH2 3.43Å; G102-W104 VanDerWaalsContact O-CZ3 3.29Å; G102-W104 WeakPolarHBondContact O-CZ3 3.34Å; G102-T240 WeakPolarHBondContact CA-O 3.22Å
103S97.3Very high95.7Very high2 Ų220.4 Ų20.41%0.01411%0.106CC..EExtended strand (participates in β ladder)trans-132.5129.517467.30000109.4F18 A69 T240F18-S103 WeakPolarHBondContact CE1-OG 3.47Å; F18-S103 WeakPolarHBondContact CZ-OG 3.36Å; A69-S103 CarbonylContact O-C 3.5Å; A69-S103 WeakPolarHBondContact O-CA 3.32Å; S103-T240 PolarHBondContact N-OG1 3.36Å; S103-T240 PolarHBondContact O-N 2.96Å; S103-T240 PolarHBondContact O-OG1 3.12Å; S103-T240 WeakPolarHBondContact OG-CG2 3.46Å; S103-T240 PolarHBondContact OG-OG1 2.66Å
104W97.6Very high96.2Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-119.9144.8-176.1-60.5-78.7000112.2G45 F49 F53 R68 A69 N71 G102 F106 I238 D239G45-W104 VanDerWaalsContact C-CZ2 3.42Å; F49-W104 AromaticContact CD2-CD2 3.64Å; F49-W104 HydrophobicContact CD2-CD2 3.64Å; F49-W104 AromaticContact CD2-CE2 3.9Å; F49-W104 HydrophobicContact CD2-CE3 4.03Å; F49-W104 AromaticContact CD2-CG 3.88Å; F49-W104 HydrophobicContact CD2-CG 3.88Å; F49-W104 AromaticContact CE2-CD2 3.39Å; F49-W104 HydrophobicContact CE2-CD2 3.39Å; F49-W104 AromaticContact CE2-CE2 3.84Å; F49-W104 AromaticContact CE2-CE3 3.27Å; F49-W104 HydrophobicContact CE2-CE3 3.27Å; F49-W104 HydrophobicContact CE2-CG 4.04Å; F49-W104 HydrophobicContact CE2-CH2 4.11Å; F49-W104 HydrophobicContact CE2-CZ2 4.22Å; F49-W104 AromaticContact CE2-CZ3 3.64Å; F49-W104 HydrophobicContact CE2-CZ3 3.64Å; F49-W104 HydrophobicContact CZ-CD2 4.41Å; F49-W104 AromaticContact CZ-CE3 3.97Å; F49-W104 HydrophobicContact CZ-CE3 3.97Å; F49-W104 HydrophobicContact CZ-CZ3 4.32Å; F53-W104 AromaticContact CZ-CD1 3.75Å; F53-W104 HydrophobicContact CZ-CG 4.48Å; R68-W104 VanDerWaalsContact CA-O 3.27Å; R68-W104 WeakPolarHBondContact CA-O 3.42Å; A69-W104 HydrophobicContact CB-CB 4.44Å; A69-W104 HydrophobicContact CB-CE3 4.07Å; A69-W104 PolarHBondContact N-O 2.86Å; A69-W104 PolarHBondContact O-N 3.05Å; N71-W104 HydrophobicContact CB-CZ3 4.22Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.47Å; N71-W104 VanDerWaalsContact OD1-CZ3 3.29Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.34Å; G102-W104 VanDerWaalsContact C-CZ3 3.49Å; G102-W104 VanDerWaalsContact CA-CH2 3.43Å; G102-W104 VanDerWaalsContact O-CZ3 3.29Å; G102-W104 WeakPolarHBondContact O-CZ3 3.34Å; W104-F106 HydrophobicContact CB-CE1 3.99Å; W104-F106 HydrophobicContact CB-CE2 4.16Å; W104-F106 HydrophobicContact CB-CZ 3.6Å; W104-F106 HydrophobicContact CG-CZ 4.28Å; W104-I238 VanDerWaalsContact CA-O 3.28Å; W104-I238 WeakPolarHBondContact CA-O 3.49Å; W104-D239 PolarHBondContact NE1-OD1 3.34Å
105S96.9Very high96.5Very high0 Ų017.5 Ų17.50%09%0.094CC..EExtended strand (participates in β ladder)trans-123.2128.6169.8172.60000108.9D108 Y109 S237 I238S105-D108 PolarHBondContact OG-N 2.9Å; S105-Y109 WeakPolarHBondContact CB-O 3.26Å; S105-Y109 PolarHBondContact OG-N 3.4Å; S105-Y109 PolarHBondContact OG-O 3.31Å; S105-S237 VanDerWaalsContact O-CA 3.26Å; S105-S237 WeakPolarHBondContact O-CA 3.28Å; S105-S237 WeakPolarHBondContact O-CB 3.37Å; S105-S237 PolarHBondContact O-OG 3.18Å; S105-I238 PolarHBondContact N-O 2.89Å; S105-I238 PolarHBondContact O-N 3.23Å
106F95.6Very high96.7Very high17 Ų1721.8 Ų21.88%0.07511%0.113CC..SBendtrans-10975.3179.3-52.7-63.5000110.2F49 I52 F53 L66 R67 A69 W104 D108F49-F106 HydrophobicContact CB-CE1 3.72Å; F49-F106 HydrophobicContact CB-CZ 3.77Å; F49-F106 HydrophobicContact CD1-CE1 4.42Å; F49-F106 HydrophobicContact CD1-CE2 4.35Å; F49-F106 AromaticContact CD1-CZ 3.62Å; F49-F106 HydrophobicContact CD1-CZ 3.62Å; F49-F106 HydrophobicContact CD2-CZ 4.14Å; F49-F106 HydrophobicContact CE1-CZ 4.23Å; F49-F106 HydrophobicContact CG-CE1 4.07Å; F49-F106 AromaticContact CG-CZ 3.58Å; F49-F106 HydrophobicContact CG-CZ 3.58Å; I52-F106 HydrophobicContact CB-CD1 4.05Å; I52-F106 HydrophobicContact CB-CE1 4.16Å; I52-F106 HydrophobicContact CD1-CD2 4.4Å; I52-F106 HydrophobicContact CD1-CE1 4.21Å; I52-F106 HydrophobicContact CD1-CE2 4.03Å; I52-F106 HydrophobicContact CD1-CZ 3.94Å; I52-F106 HydrophobicContact CG2-CB 3.88Å; I52-F106 HydrophobicContact CG2-CD1 3.5Å; I52-F106 HydrophobicContact CG2-CD2 4.2Å; I52-F106 HydrophobicContact CG2-CE1 4.07Å; I52-F106 HydrophobicContact CG2-CG 3.58Å; F53-F106 HydrophobicContact CD1-CD1 4.09Å; F53-F106 HydrophobicContact CD1-CE1 4.26Å; F53-F106 AromaticContact CE1-CD1 3.69Å; F53-F106 HydrophobicContact CE1-CD1 3.69Å; F53-F106 AromaticContact CE1-CE1 3.62Å; F53-F106 HydrophobicContact CE1-CE1 3.62Å; F53-F106 HydrophobicContact CE2-CE1 4.15Å; F53-F106 HydrophobicContact CZ-CD1 4.14Å; F53-F106 AromaticContact CZ-CE1 3.57Å; F53-F106 HydrophobicContact CZ-CE1 3.57Å; L66-F106 HydrophobicContact CB-CD2 4.05Å; L66-F106 HydrophobicContact CB-CE2 4Å; L66-F106 WeakPolarHBondContact O-CD2 3.24Å; R67-F106 PolarHBondContact O-N 2.88Å; A69-F106 HydrophobicContact CB-CE2 4.07Å; A69-F106 HydrophobicContact CB-CZ 4.49Å; W104-F106 HydrophobicContact CB-CE1 3.99Å; W104-F106 HydrophobicContact CB-CE2 4.16Å; W104-F106 HydrophobicContact CB-CZ 3.6Å; W104-F106 HydrophobicContact CG-CZ 4.28Å; F106-D108 VanDerWaalsContact C-N 3.34Å
107G91.9Very high96.9Very high40 Ų4021.9 Ų21.941%0.41211%0.113SC..SBendtrans72.322.6-177.300000115K236G107-K236 VanDerWaalsContact CA-O 3.31Å; G107-K236 WeakPolarHBondContact CA-O 3.44Å; G107-K236 PolarHBondContact N-O 3.35Å
108D95.1Very high97Very high43 Ų4321.9 Ų21.923%0.2311%0.114CC..SBendtrans-104.3-60.1-174.8-175.683000113.4R67 R68 S105 F106R67-D108 IonicContact CZ-OD1 2.95Å; R67-D108 IonicContact NE-OD1 3.19Å; R67-D108 PolarHBondContact NE-OD1 2.99Å; R67-D108 VanDerWaalsContact NE-OD1 3.08Å; R67-D108 IonicContact NH2-OD1 3.45Å; R67-D108 PolarHBondContact NH2-OD1 3.1Å; R68-D108 HydrophobicContact CG-CB 4.45Å; R68-D108 IonicContact CZ-OD2 3.89Å; R68-D108 IonicContact NE-OD2 3.43Å; R68-D108 PolarHBondContact NE-OD2 2.82Å; R68-D108 IonicContact NH2-OD2 3.37Å; R68-D108 PolarHBondContact NH2-OD2 2.95Å; S105-D108 PolarHBondContact OG-N 2.9Å; F106-D108 VanDerWaalsContact C-N 3.34Å
109Y96.6Very high97.1Very high19 Ų1921.6 Ų21.68%0.07511%0.113CC..  trans-125.6166.3170.170.5-96.2000111.4H23 R68 S105 L113 A114 M117 I238H23-Y109 AromaticContact CE1-CE1 3.72Å; H23-Y109 AromaticContact NE2-CE1 3.4Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.24Å; H23-Y109 AromaticContact NE2-CZ 3.52Å; H23-Y109 PolarHBondContact NE2-OH 3.39Å; R68-Y109 HydrophobicContact CG-CD1 4.31Å; R68-Y109 HydrophobicContact CG-CE1 4.01Å; S105-Y109 WeakPolarHBondContact CB-O 3.26Å; S105-Y109 PolarHBondContact OG-N 3.4Å; S105-Y109 PolarHBondContact OG-O 3.31Å; Y109-L113 HydrophobicContact CD1-CD2 4.09Å; Y109-L113 HydrophobicContact CD2-CB 3.96Å; Y109-L113 HydrophobicContact CD2-CD2 4.27Å; Y109-L113 HydrophobicContact CD2-CG 4.28Å; Y109-L113 HydrophobicContact CG-CB 4.18Å; Y109-L113 HydrophobicContact CG-CD2 3.78Å; Y109-L113 HydrophobicContact CG-CG 4.29Å; Y109-A114 HydrophobicContact CD2-CB 4.44Å; Y109-A114 HydrophobicContact CE2-CB 4.05Å; Y109-M117 HydrophobicContact CD2-CE 4.25Å; Y109-M117 HydrophobicContact CE1-CE 4.08Å; Y109-M117 HydrophobicContact CE2-CE 3.53Å; Y109-M117 VanDerWaalsContact CZ-CE 3.43Å; Y109-M117 WeakPolarHBondContact OH-CE 3.3Å; Y109-I238 HydrophobicContact CD2-CG1 4.02Å; Y109-I238 HydrophobicContact CE2-CB 4.06Å; Y109-I238 HydrophobicContact CE2-CG1 3.81Å; Y109-I238 HydrophobicContact CE2-CG2 4.22Å
110F96.8Very high97.1Very high37 Ų3723.3 Ų23.316%0.16212%0.121CC..  trans-136.1-149.7-179.7-157.8-129.2000111.8Q112 L113 A114 F219 K236 S237 I238F110-Q112 PolarHBondContact O-N 2.82Å; F110-L113 PolarHBondContact O-N 3.45Å; F110-A114 PolarHBondContact O-N 3.37Å; F110-A114 VanDerWaalsContact O-N 3.13Å; F110-F219 HydrophobicContact CE2-CB 3.83Å; F110-F219 HydrophobicContact CZ-CB 3.63Å; F110-F219 HydrophobicContact CZ-CG 4.46Å; F110-K236 HydrophobicContact CD1-CD 4.21Å; F110-K236 HydrophobicContact CD2-CB 3.86Å; F110-K236 HydrophobicContact CE1-CB 4.5Å; F110-K236 HydrophobicContact CE1-CD 3.77Å; F110-K236 HydrophobicContact CE2-CB 3.72Å; F110-K236 HydrophobicContact CE2-CD 4.4Å; F110-K236 HydrophobicContact CE2-CG 4.46Å; F110-K236 HydrophobicContact CG-CB 4.32Å; F110-K236 HydrophobicContact CZ-CB 4.05Å; F110-K236 HydrophobicContact CZ-CD 3.87Å; F110-K236 HydrophobicContact CZ-CG 4.31Å; F110-S237 WeakPolarHBondContact CE2-O 3.17Å; F110-I238 HydrophobicContact CD2-CD1 3.6Å; F110-I238 HydrophobicContact CD2-CG1 4.12Å; F110-I238 HydrophobicContact CE2-CD1 4.07Å; F110-I238 HydrophobicContact CG-CD1 4.31Å
111K97.7Very high97.1Very high9 Ų922.6 Ų22.64%0.03912%0.117CC..Hα-helixtrans-45.2-52-168.9-66.7171.7-178.8176.40115.7L113 A114 C115 D149 E151 I155 F219K111-L113 PolarHBondContact O-N 3.16Å; K111-A114 PolarHBondContact O-N 3.5Å; K111-C115 PolarHBondContact O-N 3.49Å; K111-C115 PolarHBondContact O-SG 3.23Å; K111-D149 WeakPolarHBondContact CE-OD2 3.43Å; K111-D149 IonicContact NZ-OD1 3.88Å; K111-D149 PolarHBondContact NZ-OD1 2.8Å; K111-D149 IonicContact NZ-OD2 2.89Å; K111-D149 PolarHBondContact NZ-OD2 3.37Å; K111-E151 HydrophobicContact CD-CG 4.21Å; K111-E151 WeakPolarHBondContact CD-OE2 3.23Å; K111-E151 IonicContact NZ-OE2 2.82Å; K111-E151 PolarHBondContact NZ-OE2 3.1Å; K111-I155 HydrophobicContact CB-CD1 3.55Å; K111-F219 HydrophobicContact CB-CE1 4.21Å; K111-F219 HydrophobicContact CB-CZ 4.48Å; K111-F219 HydrophobicContact CD-CD2 4.25Å; K111-F219 HydrophobicContact CD-CE2 4.36Å; K111-F219 HydrophobicContact CD-CG 4.38Å; K111-F219 HydrophobicContact CG-CD1 3.57Å; K111-F219 HydrophobicContact CG-CD2 4.01Å; K111-F219 HydrophobicContact CG-CE1 3.64Å; K111-F219 HydrophobicContact CG-CE2 4.07Å; K111-F219 HydrophobicContact CG-CG 3.76Å; K111-F219 HydrophobicContact CG-CZ 3.9Å
112Q97.6Very high97.1Very high104 Ų10422.6 Ų22.649%0.48612%0.117SC..Hα-helixtrans-56.5-51.5-173.7-174.278.237.900112.1F110 K116 I155F110-Q112 PolarHBondContact O-N 2.82Å; Q112-K116 WeakPolarHBondContact O-CB 3.43Å; Q112-K116 PolarHBondContact O-N 3.31Å; Q112-K116 VanDerWaalsContact O-N 3.14Å; Q112-I155 HydrophobicContact CB-CD1 4.44Å
113L97.6Very high97.1Very high47 Ų4724.1 Ų24.125%0.24613%0.127CC..Hα-helixtrans-73.7-36.2-177.7-173.758.2000111Y21 Y109 F110 K111 K116 M117Y21-L113 HydrophobicContact CE1-CD1 4.36Å; Y109-L113 HydrophobicContact CD1-CD2 4.09Å; Y109-L113 HydrophobicContact CD2-CB 3.96Å; Y109-L113 HydrophobicContact CD2-CD2 4.27Å; Y109-L113 HydrophobicContact CD2-CG 4.28Å; Y109-L113 HydrophobicContact CG-CB 4.18Å; Y109-L113 HydrophobicContact CG-CD2 3.78Å; Y109-L113 HydrophobicContact CG-CG 4.29Å; F110-L113 PolarHBondContact O-N 3.45Å; K111-L113 PolarHBondContact O-N 3.16Å; L113-K116 PolarHBondContact O-N 2.93Å; L113-M117 HydrophobicContact CD1-CG 4.09Å; L113-M117 HydrophobicContact CD1-SD 4.38Å; L113-M117 HydrophobicContact CG-CE 3.96Å; L113-M117 HydrophobicContact CG-CG 4.3Å; L113-M117 HydrophobicContact CG-SD 4.14Å; L113-M117 WeakPolarHBondContact O-CB 3.14Å; L113-M117 WeakPolarHBondContact O-CG 3.43Å; L113-M117 PolarHBondContact O-N 3.26Å
114A97.9Very high97Very high5 Ų530.8 Ų30.84%0.04116%0.158CC..Hα-helixtrans-59.2-51.1175.900000112Y109 F110 K111 K116 M117 A118 I238Y109-A114 HydrophobicContact CD2-CB 4.44Å; Y109-A114 HydrophobicContact CE2-CB 4.05Å; F110-A114 PolarHBondContact O-N 3.37Å; F110-A114 VanDerWaalsContact O-N 3.13Å; K111-A114 PolarHBondContact O-N 3.5Å; A114-K116 PolarHBondContact O-N 3.27Å; A114-M117 PolarHBondContact O-N 2.93Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.47Å; A114-I238 HydrophobicContact CB-CD1 3.96Å; A114-I238 HydrophobicContact CB-CG1 4.15Å; A114-I238 HydrophobicContact CB-CG2 4.11Å
115C98.4Very high96.9Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-65.2-39.8179.6-59.10000111.5K111 A118 L119 I155 W156 L159K111-C115 PolarHBondContact O-N 3.49Å; K111-C115 PolarHBondContact O-SG 3.23Å; C115-A118 PolarHBondContact O-N 3.19Å; C115-L119 PolarHBondContact O-N 3.11Å; C115-I155 HydrophobicContact CB-CG2 3.67Å; C115-W156 HydrophobicContact CB-CD2 4.38Å; C115-W156 HydrophobicContact CB-CE3 4.38Å; C115-W156 HydrophobicContact CB-CH2 3.87Å; C115-W156 HydrophobicContact CB-CZ2 3.86Å; C115-W156 HydrophobicContact CB-CZ3 4.14Å; C115-L159 HydrophobicContact CB-CD1 3.65Å
116K98.3Very high96.9Very high97 Ų9733.4 Ų33.442%0.42217%0.17SC..Hα-helixtrans-60-53.4176-176.8-172.6171.9-168.80111.5Q112 L113 A114 A118 L119 E120 L159Q112-K116 WeakPolarHBondContact O-CB 3.43Å; Q112-K116 PolarHBondContact O-N 3.31Å; Q112-K116 VanDerWaalsContact O-N 3.14Å; L113-K116 PolarHBondContact O-N 2.93Å; A114-K116 PolarHBondContact O-N 3.27Å; K116-A118 VanDerWaalsContact C-N 3.26Å; K116-A118 PolarHBondContact O-N 2.92Å; K116-L119 PolarHBondContact O-N 2.9Å; K116-E120 WeakPolarHBondContact O-CB 3.35Å; K116-E120 PolarHBondContact O-N 3.07Å; K116-L159 HydrophobicContact CB-CD1 4.45Å; K116-L159 HydrophobicContact CB-CD2 3.97Å; K116-L159 HydrophobicContact CG-CD2 4.09Å
117M98.4Very high96.9Very high2 Ų234 Ų341%0.0118%0.181CC..Hα-helixtrans-61-38.1179.7-72.8-174.4-56.100111.4F17 F18 Y21 Y109 L113 A114 L121F17-M117 HydrophobicContact CE1-CB 4.09Å; F17-M117 HydrophobicContact CZ-CB 4.29Å; F17-M117 WeakPolarHBondContact CZ-O 3.47Å; F18-M117 HydrophobicContact CD1-SD 4.44Å; F18-M117 HydrophobicContact CE1-CB 4.4Å; F18-M117 HydrophobicContact CE1-CE 4.1Å; F18-M117 HydrophobicContact CE1-SD 4.12Å; Y21-M117 HydrophobicContact CD1-CG 4.01Å; Y21-M117 HydrophobicContact CD1-SD 3.56Å; Y21-M117 VanDerWaalsContact CD1-SD 3.56Å; Y21-M117 HydrophobicContact CD2-CG 4.12Å; Y21-M117 HydrophobicContact CD2-SD 3.96Å; Y21-M117 HydrophobicContact CE1-CG 3.91Å; Y21-M117 HydrophobicContact CE1-SD 4.08Å; Y21-M117 HydrophobicContact CE2-CG 4.03Å; Y21-M117 HydrophobicContact CE2-SD 4.45Å; Y21-M117 HydrophobicContact CG-CG 4.12Å; Y21-M117 HydrophobicContact CG-SD 3.48Å; Y109-M117 HydrophobicContact CD2-CE 4.25Å; Y109-M117 HydrophobicContact CE1-CE 4.08Å; Y109-M117 HydrophobicContact CE2-CE 3.53Å; Y109-M117 VanDerWaalsContact CZ-CE 3.43Å; Y109-M117 WeakPolarHBondContact OH-CE 3.3Å; L113-M117 HydrophobicContact CD1-CG 4.09Å; L113-M117 HydrophobicContact CD1-SD 4.38Å; L113-M117 HydrophobicContact CG-CE 3.96Å; L113-M117 HydrophobicContact CG-CG 4.3Å; L113-M117 HydrophobicContact CG-SD 4.14Å; L113-M117 WeakPolarHBondContact O-CB 3.14Å; L113-M117 WeakPolarHBondContact O-CG 3.43Å; L113-M117 PolarHBondContact O-N 3.26Å; A114-M117 PolarHBondContact O-N 2.93Å; M117-L121 VanDerWaalsContact O-CB 3.29Å; M117-L121 WeakPolarHBondContact O-CB 3.49Å; M117-L121 PolarHBondContact O-N 3.43Å
118A97.9Very high97.1Very high1 Ų132.2 Ų32.21%0.00816%0.162CC..Hα-helixtrans-63.4-46.1177.700000112.1A114 C115 K116 L122 I190 W215 L217A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.47Å; C115-A118 PolarHBondContact O-N 3.19Å; K116-A118 VanDerWaalsContact C-N 3.26Å; K116-A118 PolarHBondContact O-N 2.92Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.28Å; A118-L122 VanDerWaalsContact O-N 3.12Å; A118-I190 HydrophobicContact CB-CD1 3.92Å; A118-W215 HydrophobicContact CB-CD2 4.44Å; A118-W215 HydrophobicContact CB-CE3 3.79Å; A118-W215 HydrophobicContact CB-CH2 3.94Å; A118-W215 HydrophobicContact CB-CZ3 3.55Å; A118-L217 HydrophobicContact CB-CD1 3.85Å; A118-L217 HydrophobicContact CB-CD2 4.13Å
119L97.9Very high97.1Very high16 Ų1632.4 Ų32.48%0.08417%0.166CC..Hα-helixtrans-65.9-45178.1-167.162.8000112.1C115 K116 L121 L122 T123 I130 L133 W156 L159 V161C115-L119 PolarHBondContact O-N 3.11Å; K116-L119 PolarHBondContact O-N 2.9Å; L119-L121 PolarHBondContact O-N 3.04Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-T123 HydrophobicContact CD1-CG2 3.76Å; L119-T123 HydrophobicContact CG-CG2 4.24Å; L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.5Å; L119-T123 PolarHBondContact O-N 3.17Å; L119-T123 PolarHBondContact O-OG1 3.19Å; L119-I130 HydrophobicContact CD1-CD1 3.98Å; L119-I130 HydrophobicContact CD1-CG1 4.16Å; L119-I130 HydrophobicContact CD2-CD1 4.09Å; L119-I130 HydrophobicContact CG-CD1 4.46Å; L119-L133 HydrophobicContact CD1-CD1 4.22Å; L119-W156 HydrophobicContact CB-CZ3 4.14Å; L119-W156 HydrophobicContact CD1-CZ3 4.4Å; L119-L159 HydrophobicContact CD2-CB 3.82Å; L119-L159 WeakPolarHBondContact CD2-O 3.43Å; L119-V161 HydrophobicContact CD1-CG2 4.47Å
120E97.9Very high97Very high35 Ų3534.6 Ų34.616%0.16418%0.178CC..Hα-helixtrans-59.8-45.5178.5-173.8179.2141.300111.2F17 Y21 K116 E124 E125F17-E120 HydrophobicContact CE2-CB 4.45Å; F17-E120 HydrophobicContact CE2-CG 4.02Å; F17-E120 HydrophobicContact CZ-CB 4.22Å; F17-E120 HydrophobicContact CZ-CG 4.25Å; Y21-E120 VanDerWaalsContact OH-CD 3.23Å; Y21-E120 PolarHBondContact OH-OE1 3.4Å; Y21-E120 VanDerWaalsContact OH-OE1 3.05Å; Y21-E120 PolarHBondContact OH-OE2 3.49Å; K116-E120 WeakPolarHBondContact O-CB 3.35Å; K116-E120 PolarHBondContact O-N 3.07Å; E120-E124 HydrophobicContact CG-CB 4.4Å; E120-E124 HydrophobicContact CG-CG 4.34Å; E120-E124 WeakPolarHBondContact O-CA 3.43Å; E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.31Å; E120-E124 PolarHBondContact O-N 3.45Å; E120-E125 PolarHBondContact O-N 3.04Å; E120-E125 VanDerWaalsContact O-N 3.14Å
121L97.8Very high96.9Very high0 Ų037.1 Ų37.10%019%0.193CC..Iπ-helixtrans-62.2-46.6177.4-178.758.5000112.1F14 F17 F18 M117 L119 E125 F126 W215 M242F14-L121 HydrophobicContact CD2-CD2 3.6Å; F14-L121 HydrophobicContact CE2-CD2 3.98Å; F17-L121 HydrophobicContact CB-CD1 3.89Å; F17-L121 HydrophobicContact CD1-CB 4.09Å; F17-L121 HydrophobicContact CD1-CD1 3.9Å; F17-L121 HydrophobicContact CD1-CD2 4.09Å; F17-L121 HydrophobicContact CD1-CG 4.24Å; F17-L121 HydrophobicContact CD2-CD1 4.12Å; F17-L121 HydrophobicContact CE1-CB 3.78Å; F17-L121 HydrophobicContact CE1-CD1 4.45Å; F17-L121 HydrophobicContact CE1-CD2 4.4Å; F17-L121 HydrophobicContact CE1-CG 4.43Å; F17-L121 HydrophobicContact CE2-CB 4.35Å; F17-L121 HydrophobicContact CG-CD1 3.7Å; F17-L121 HydrophobicContact CZ-CB 3.92Å; F18-L121 HydrophobicContact CE2-CD2 3.86Å; M117-L121 VanDerWaalsContact O-CB 3.29Å; M117-L121 WeakPolarHBondContact O-CB 3.49Å; M117-L121 PolarHBondContact O-N 3.43Å; L119-L121 PolarHBondContact O-N 3.04Å; L121-E125 HydrophobicContact CD1-CB 3.85Å; L121-E125 HydrophobicContact CD1-CG 4.24Å; L121-E125 WeakPolarHBondContact O-CB 3.06Å; L121-F126 HydrophobicContact CD1-CD2 3.94Å; L121-F126 HydrophobicContact CD1-CE2 3.51Å; L121-F126 HydrophobicContact CD1-CZ 4.11Å; L121-F126 HydrophobicContact CD2-CE2 4.1Å; L121-F126 HydrophobicContact CG-CD2 3.89Å; L121-F126 HydrophobicContact CG-CE2 3.6Å; L121-F126 WeakPolarHBondContact O-CD2 3.1Å; L121-F126 PolarHBondContact O-N 2.86Å; L121-W215 HydrophobicContact CB-CH2 4.45Å; L121-W215 HydrophobicContact CB-CZ3 4.3Å; L121-W215 HydrophobicContact CD2-CH2 3.59Å; L121-W215 HydrophobicContact CD2-CZ3 3.9Å; L121-W215 HydrophobicContact CG-CZ3 4.49Å; L121-M242 HydrophobicContact CD2-CE 4.45Å
122L97.6Very high96.8Very high0 Ų038.6 Ų38.60%020%0.199CC..Iπ-helixtrans-69.9-44.9-178.2-66.5176.2000111.7A118 L119 G127 I128 L133 I190 I214 W215 M242 L247A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.28Å; A118-L122 VanDerWaalsContact O-N 3.12Å; L119-L122 PolarHBondContact O-N 3.4Å; L122-G127 PolarHBondContact O-N 2.77Å; L122-I128 HydrophobicContact CB-CD1 4.31Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.24Å; L122-I128 WeakPolarHBondContact O-CB 3.42Å; L122-I128 WeakPolarHBondContact O-CG1 3.15Å; L122-I128 PolarHBondContact O-N 3.11Å; L122-L133 HydrophobicContact CB-CD1 4.43Å; L122-L133 HydrophobicContact CD1-CD1 4.29Å; L122-I190 HydrophobicContact CD1-CD1 3.96Å; L122-I190 HydrophobicContact CD1-CG2 3.79Å; L122-I214 HydrophobicContact CD1-CD1 4.06Å; L122-I214 HydrophobicContact CD2-CD1 3.95Å; L122-W215 HydrophobicContact CD1-CE3 4.08Å; L122-W215 HydrophobicContact CD2-CE3 4.35Å; L122-W215 HydrophobicContact CG-CE3 4.14Å; L122-W215 HydrophobicContact CG-CZ3 4.21Å; L122-M242 HydrophobicContact CD2-CE 4Å; L122-L247 HydrophobicContact CD2-CD1 4.31Å
123T96.8Very high96.8Very high32 Ų3233.8 Ų33.820%0.19618%0.176CC..Iπ-helixtrans-91.1-43.9-169.262.90000113.6L119 G127 I128 I130 L133L119-T123 HydrophobicContact CD1-CG2 3.76Å; L119-T123 HydrophobicContact CG-CG2 4.24Å; L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.5Å; L119-T123 PolarHBondContact O-N 3.17Å; L119-T123 PolarHBondContact O-OG1 3.19Å; T123-G127 WeakPolarHBondContact O-CA 3.24Å; T123-G127 PolarHBondContact O-N 2.9Å; T123-I128 WeakPolarHBondContact CA-O 3.31Å; T123-I130 HydrophobicContact CG2-CB 4Å; T123-I130 HydrophobicContact CG2-CG1 4.37Å; T123-L133 HydrophobicContact CG2-CD1 4.06Å
124E95.8Very high96.8Very high143 Ų14331.6 Ų31.667%0.66817%0.165SC*.Iπ-helixtrans-88-47.9-176.8-56-172.7-168.300111E120E120-E124 HydrophobicContact CG-CB 4.4Å; E120-E124 HydrophobicContact CG-CG 4.34Å; E120-E124 WeakPolarHBondContact O-CA 3.43Å; E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.31Å; E120-E124 PolarHBondContact O-N 3.45Å
125E95.4Very high96.8Very high48 Ų4831.5 Ų31.522%0.22416%0.163CC..Iπ-helixtrans-78.3-49.9-176.2-69-72165.300111.8K13 F17 R20 E120 L121K13-E125 PolarHBondContact NZ-O 3.21Å; K13-E125 IonicContact NZ-OE2 2.66Å; K13-E125 PolarHBondContact NZ-OE2 3.29Å; F17-E125 HydrophobicContact CD2-CG 3.66Å; F17-E125 HydrophobicContact CE2-CG 3.97Å; R20-E125 IonicContact CZ-OE1 2.62Å; R20-E125 VanDerWaalsContact CZ-OE1 3.29Å; R20-E125 IonicContact NH1-OE1 2.65Å; R20-E125 PolarHBondContact NH1-OE1 3.12Å; R20-E125 IonicContact NH2-OE1 3.08Å; R20-E125 PolarHBondContact NH2-OE1 3.02Å; R20-E125 IonicContact NH2-OE2 3.13Å; R20-E125 PolarHBondContact NH2-OE2 2.9Å; E120-E125 PolarHBondContact O-N 3.04Å; E120-E125 VanDerWaalsContact O-N 3.14Å; L121-E125 HydrophobicContact CD1-CB 3.85Å; L121-E125 HydrophobicContact CD1-CG 4.24Å; L121-E125 WeakPolarHBondContact O-CB 3.06Å
126F96.4Very high96.8Very high6 Ų631.6 Ų31.63%0.02616%0.164CC..SBendtrans-89.1-12.1179.1-68.3-54.1000113.7M1 I10 K13 L121 I128 L247 L251M1-F126 WeakPolarHBondContact CA-O 3.2Å; I10-F126 HydrophobicContact CG2-CE1 4.04Å; I10-F126 HydrophobicContact CG2-CZ 4.11Å; K13-F126 HydrophobicContact CB-CE1 4.19Å; K13-F126 HydrophobicContact CD-CD1 4.12Å; K13-F126 HydrophobicContact CD-CE1 3.78Å; K13-F126 HydrophobicContact CG-CE1 4.21Å; L121-F126 HydrophobicContact CD1-CD2 3.94Å; L121-F126 HydrophobicContact CD1-CE2 3.51Å; L121-F126 HydrophobicContact CD1-CZ 4.11Å; L121-F126 HydrophobicContact CD2-CE2 4.1Å; L121-F126 HydrophobicContact CG-CD2 3.89Å; L121-F126 HydrophobicContact CG-CE2 3.6Å; L121-F126 WeakPolarHBondContact O-CD2 3.1Å; L121-F126 PolarHBondContact O-N 2.86Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 HydrophobicContact CB-CD1 4.42Å; F126-I128 HydrophobicContact CB-CG1 4.24Å; F126-I128 PolarHBondContact O-N 3.16Å; F126-L247 HydrophobicContact CD2-CD2 4.44Å; F126-L247 HydrophobicContact CE2-CD2 3.85Å; F126-L247 HydrophobicContact CZ-CD2 3.94Å; F126-L251 HydrophobicContact CB-CD1 4.3Å; F126-L251 HydrophobicContact CB-CD2 3.81Å; F126-L251 HydrophobicContact CD1-CD1 3.52Å; F126-L251 HydrophobicContact CE1-CD1 3.91Å; F126-L251 HydrophobicContact CG-CD1 3.91Å; F126-L251 HydrophobicContact CG-CD2 4.33Å
127G95.7Very high96.8Very high30 Ų3028.3 Ų28.331%0.30915%0.149SC..  trans69.926.1176.600000113.4M1 L122 T123M1-G127 WeakPolarHBondContact CG-O 3.48Å; M1-G127 PolarHBondContact N-O 3.11Å; L122-G127 PolarHBondContact O-N 2.77Å; T123-G127 WeakPolarHBondContact O-CA 3.24Å; T123-G127 PolarHBondContact O-N 2.9Å
128I95.8Very high96.7Very high2 Ų228.4 Ų28.41%0.0115%0.149CC..  trans-73.4126.3175-61.4175.1000108.2M1 L122 T123 F126 I130 L133 Y192 L247 V250 L251M1-I128 HydrophobicContact CG-CG1 4.14Å; M1-I128 HydrophobicContact SD-CG1 3.99Å; L122-I128 HydrophobicContact CB-CD1 4.31Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.24Å; L122-I128 WeakPolarHBondContact O-CB 3.42Å; L122-I128 WeakPolarHBondContact O-CG1 3.15Å; L122-I128 PolarHBondContact O-N 3.11Å; T123-I128 WeakPolarHBondContact CA-O 3.31Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 HydrophobicContact CB-CD1 4.42Å; F126-I128 HydrophobicContact CB-CG1 4.24Å; F126-I128 PolarHBondContact O-N 3.16Å; I128-I130 PolarHBondContact O-N 3.04Å; I128-L133 HydrophobicContact CG2-CD2 3.98Å; I128-L133 HydrophobicContact CG2-CG 4.37Å; I128-Y192 HydrophobicContact CG2-CD2 3.76Å; I128-Y192 HydrophobicContact CG2-CE2 3.63Å; I128-L247 HydrophobicContact CD1-CD1 4.31Å; I128-V250 HydrophobicContact CD1-CG1 4.27Å; I128-L251 HydrophobicContact CD1-CD2 4Å; I128-L251 HydrophobicContact CG1-CD2 3.87Å
129P94.6Very high96.6Very high48 Ų4829.7 Ų29.731%0.31216%0.163SC..  trans-63.1128179-21.432.8000111.9D131 R132P129-D131 WeakPolarHBondContact CB-OD1 3.22Å; P129-D131 PolarHBondContact O-N 2.98Å; P129-R132 HydrophobicContact CB-CG 4.12Å; P129-R132 WeakPolarHBondContact O-CB 3.34Å; P129-R132 PolarHBondContact O-N 3Å
130I95.3Very high96.5Very high65 Ų6529.9 Ų29.933%0.33317%0.169SC..G310 helixtrans-61.5-31.2-178.6-167.9169.7000112.5L119 T123 I128 R132 L133 V161L119-I130 HydrophobicContact CD1-CD1 3.98Å; L119-I130 HydrophobicContact CD1-CG1 4.16Å; L119-I130 HydrophobicContact CD2-CD1 4.09Å; L119-I130 HydrophobicContact CG-CD1 4.46Å; T123-I130 HydrophobicContact CG2-CB 4Å; T123-I130 HydrophobicContact CG2-CG1 4.37Å; I128-I130 PolarHBondContact O-N 3.04Å; I130-R132 PolarHBondContact O-N 3.38Å; I130-R132 VanDerWaalsContact O-N 3.14Å; I130-L133 PolarHBondContact O-N 2.97Å; I130-L133 VanDerWaalsContact O-N 3.09Å; I130-V161 HydrophobicContact CD1-CG2 4.46Å
131D94.5Very high96.2Very high90 Ų9030.3 Ų30.348%0.48117%0.172SC..G310 helixtrans-71.3-2176.968.4-52.1000113.5P129 R165P129-D131 WeakPolarHBondContact CB-OD1 3.22Å; P129-D131 PolarHBondContact O-N 2.98Å; D131-R165 PolarHBondContact O-NH1 3.45Å; D131-R165 PolarHBondContact O-NH2 3.44Å; D131-R165 VanDerWaalsContact O-NH2 3.09Å
132R95.2Very high95.8Very high40 Ų4035 Ų3515%0.15121%0.211CC..G310 helixtrans-105-3.9172.4-62-17467.5166.32.6113.2P129 I130 Y192 D193 R194P129-R132 HydrophobicContact CB-CG 4.12Å; P129-R132 WeakPolarHBondContact O-CB 3.34Å; P129-R132 PolarHBondContact O-N 3Å; I130-R132 PolarHBondContact O-N 3.38Å; I130-R132 VanDerWaalsContact O-N 3.14Å; R132-Y192 HydrophobicContact CB-CD2 4Å; R132-Y192 HydrophobicContact CB-CE2 3.7Å; R132-Y192 PolarHBondContact NE-OH 3.25Å; R132-Y192 PolarHBondContact NH1-OH 3.36Å; R132-Y192 VanDerWaalsContact NH1-OH 3.08Å; R132-Y192 PolarHBondContact NH2-OH 3.33Å; R132-D193 VanDerWaalsContact CZ-O 3.25Å; R132-D193 PolarHBondContact NE-O 3.3Å; R132-D193 PolarHBondContact NH2-O 3.22Å; R132-D193 PolarHBondContact O-N 3Å; R132-R194 PolarHBondContact NH2-O 2.89Å
133L97.2Very high95.2Very high2 Ų243 Ų431%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-91.8141.6178.8-60.2177.8000110.6L119 L122 T123 I128 I130 R165 I190 H191 Y192 I214L119-L133 HydrophobicContact CD1-CD1 4.22Å; L122-L133 HydrophobicContact CB-CD1 4.43Å; L122-L133 HydrophobicContact CD1-CD1 4.29Å; T123-L133 HydrophobicContact CG2-CD1 4.06Å; I128-L133 HydrophobicContact CG2-CD2 3.98Å; I128-L133 HydrophobicContact CG2-CG 4.37Å; I130-L133 PolarHBondContact O-N 2.97Å; I130-L133 VanDerWaalsContact O-N 3.09Å; L133-R165 WeakPolarHBondContact O-CD 3.46Å; L133-I190 HydrophobicContact CD2-CG2 4.06Å; L133-H191 CarbonylContact C-O 3.35Å; L133-H191 VanDerWaalsContact CA-O 3.3Å; L133-H191 WeakPolarHBondContact CA-O 3.5Å; L133-Y192 HydrophobicContact CD2-CD2 4.14Å; L133-I214 HydrophobicContact CD2-CD1 4.34Å
134Y98.1Very high94.5Very high2 Ų243.6 Ų43.61%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-121.1138.7164.5-70.1-96000107.4R165 L167 H191 D193 R198 A200 V204Y134-R165 HydrophobicContact CD1-CB 3.91Å; Y134-R165 HydrophobicContact CD1-CG 4.01Å; Y134-R165 HydrophobicContact CE1-CB 4.2Å; Y134-R165 HydrophobicContact CE1-CG 3.78Å; Y134-R165 PolarHBondContact OH-NH1 2.8Å; Y134-L167 HydrophobicContact CD1-CD1 4.25Å; Y134-H191 PolarHBondContact N-O 3.42Å; Y134-H191 PolarHBondContact O-N 3.16Å; Y134-D193 HydrophobicContact CE2-CB 4.18Å; Y134-R198 PolarHBondContact OH-O 3.2Å; Y134-A200 HydrophobicContact CE2-CB 3.87Å; Y134-A200 PolarHBondContact OH-N 2.85Å; Y134-V204 HydrophobicContact CD1-CG2 4.25Å; Y134-V204 HydrophobicContact CG-CG2 3.96Å
135V98.1Very high94.1Very high2 Ų239.9 Ų39.91%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-123.3144.3178.7-59.50000109.7W156 V161 R165 I166 L167 E189 I190V135-W156 HydrophobicContact CB-CD2 4.19Å; V135-W156 HydrophobicContact CB-CG 4.36Å; V135-W156 HydrophobicContact CB-CZ2 4.42Å; V135-W156 HydrophobicContact CG1-CD2 4.17Å; V135-W156 HydrophobicContact CG1-CE3 4.29Å; V135-W156 HydrophobicContact CG1-CH2 4.25Å; V135-W156 HydrophobicContact CG1-CZ2 4.11Å; V135-W156 HydrophobicContact CG1-CZ3 4.33Å; V135-W156 HydrophobicContact CG2-CB 4.05Å; V135-W156 HydrophobicContact CG2-CD2 3.87Å; V135-W156 HydrophobicContact CG2-CG 3.64Å; V135-V161 HydrophobicContact CG2-CG1 4.02Å; V135-R165 PolarHBondContact N-O 2.75Å; V135-I166 HydrophobicContact CG2-CB 4.21Å; V135-I166 HydrophobicContact CG2-CG1 3.74Å; V135-I166 HydrophobicContact CG2-CG2 4.18Å; V135-I166 CarbonylContact O-C 3.58Å; V135-I166 WeakPolarHBondContact O-CA 3.42Å; V135-L167 PolarHBondContact O-N 3.09Å; V135-E189 CarbonylContact C-O 3.47Å; V135-E189 WeakPolarHBondContact CA-O 3.5Å; V135-I190 HydrophobicContact CG1-CG1 4.2Å; V135-I190 HydrophobicContact CG1-CG2 4.32Å
136T98.1Very high93.9Very high2 Ų238.5 Ų38.51%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-108.8157.4178.159.90000111.8L167 N174 S188 E189 V204T136-L167 CarbonylContact C-O 3.48Å; T136-L167 WeakPolarHBondContact CA-O 3.43Å; T136-L167 HydrophobicContact CG2-CB 4.44Å; T136-N174 WeakPolarHBondContact CB-OD1 3.47Å; T136-N174 PolarHBondContact OG1-ND2 3.33Å; T136-N174 PolarHBondContact OG1-OD1 3.4Å; T136-S188 WeakPolarHBondContact O-CA 3.49Å; T136-S188 WeakPolarHBondContact O-CB 3.22Å; T136-S188 PolarHBondContact O-OG 2.81Å; T136-E189 PolarHBondContact N-O 2.8Å; T136-E189 WeakPolarHBondContact OG1-CB 3.27Å; T136-E189 PolarHBondContact OG1-N 2.87Å; T136-E189 PolarHBondContact OG1-O 3.28Å; T136-V204 HydrophobicContact CG2-CG1 3.68Å
137Y97.8Very high93.7Very high28 Ų2845.7 Ų45.711%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-133.8154.1167.371.5-83.4000109.8G139 D149 L150 K153 I166 L167 P168 G169Y137-G139 PolarHBondContact O-N 3.14Å; Y137-D149 WeakPolarHBondContact CD2-O 3.45Å; Y137-L150 HydrophobicContact CE2-CD2 4.14Å; Y137-K153 HydrophobicContact CD1-CB 4Å; Y137-K153 HydrophobicContact CD1-CG 4.3Å; Y137-K153 HydrophobicContact CD2-CB 4.28Å; Y137-K153 HydrophobicContact CE1-CB 4.17Å; Y137-K153 HydrophobicContact CE1-CD 3.91Å; Y137-K153 HydrophobicContact CE1-CG 4.13Å; Y137-K153 HydrophobicContact CE2-CB 4.46Å; Y137-K153 HydrophobicContact CG-CB 4.04Å; Y137-I166 HydrophobicContact CD1-CG2 3.9Å; Y137-I166 HydrophobicContact CE1-CG2 4.33Å; Y137-L167 VanDerWaalsContact CD1-O 3.32Å; Y137-L167 WeakPolarHBondContact CD1-O 3.18Å; Y137-L167 PolarHBondContact N-O 3.27Å; Y137-P168 HydrophobicContact CE1-CB 4.02Å; Y137-P168 HydrophobicContact CE2-CB 4.31Å; Y137-P168 WeakPolarHBondContact O-CA 3.35Å; Y137-G169 PolarHBondContact O-N 3.48Å
138F97.7Very high93.8Very high4 Ų446.9 Ų46.92%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-65118.2-179.8178.9-118.5000111.7G140 N141 L146 E147 P148 D149 M171 N174 F175 P186F138-G140 VanDerWaalsContact C-N 3.27Å; F138-G140 VanDerWaalsContact CE1-CA 3.45Å; F138-G140 PolarHBondContact O-N 3.27Å; F138-N141 HydrophobicContact CZ-CB 4.22Å; F138-L146 HydrophobicContact CE1-CB 3.82Å; F138-L146 HydrophobicContact CE1-CD1 4.46Å; F138-L146 HydrophobicContact CZ-CB 4Å; F138-L146 HydrophobicContact CZ-CD1 4.15Å; F138-E147 WeakPolarHBondContact CE1-O 3.16Å; F138-P148 CarbonylContact O-C 3.43Å; F138-P148 WeakPolarHBondContact O-CA 3.16Å; F138-D149 HydrophobicContact CB-CB 4.03Å; F138-D149 PolarHBondContact O-N 3.48Å; F138-M171 HydrophobicContact CE2-CB 4.16Å; F138-M171 HydrophobicContact CE2-CG 4.47Å; F138-N174 HydrophobicContact CB-CB 4Å; F138-N174 HydrophobicContact CD2-CB 4.06Å; F138-N174 VanDerWaalsContact CD2-O 3.32Å; F138-N174 WeakPolarHBondContact CD2-O 3.35Å; F138-F175 HydrophobicContact CD2-CB 4.29Å; F138-F175 HydrophobicContact CE2-CB 4.01Å; F138-F175 HydrophobicContact CE2-CD2 4.34Å; F138-F175 HydrophobicContact CZ-CD2 4.2Å; F138-P186 HydrophobicContact CB-CB 3.67Å; F138-P186 HydrophobicContact CD1-CB 3.91Å; F138-P186 HydrophobicContact CG-CB 3.88Å
139G96.2Very high93.8Very high29 Ų2947.3 Ų47.330%0.29929%0.294SS..  trans-78-1.2-176.300000115.5Y137 P148 G169Y137-G139 PolarHBondContact O-N 3.14Å; G139-P148 WeakPolarHBondContact O-CG 3.32Å; G139-G169 WeakPolarHBondContact CA-O 3.47Å; G139-G169 PolarHBondContact N-O 3.22Å
140G93.8Very high94Very high20 Ų2050.2 Ų50.221%0.20631%0.307CS..  trans89.2163.6-175.800000113.4F138 L146F138-G140 VanDerWaalsContact C-N 3.27Å; F138-G140 VanDerWaalsContact CE1-CA 3.45Å; F138-G140 PolarHBondContact O-N 3.27Å; G140-L146 CarbonylContact C-O 3.59Å; G140-L146 WeakPolarHBondContact CA-O 3.42Å
141N93.2Very high94.1Very high43 Ų4352.1 Ų52.123%0.2331%0.314CS..BIsolated β-bridgetrans-148.8107.1170.9-173.1-61.4000109.7F138 D143 A144 G145 L146 M171F138-N141 HydrophobicContact CZ-CB 4.22Å; N141-D143 PolarHBondContact O-N 2.92Å; N141-D143 PolarHBondContact OD1-N 3.09Å; N141-D143 VanDerWaalsContact OD1-N 3.13Å; N141-A144 HydrophobicContact CB-CB 4.17Å; N141-A144 PolarHBondContact O-N 3.32Å; N141-A144 WeakPolarHBondContact OD1-CB 3.42Å; N141-A144 PolarHBondContact OD1-N 3.08Å; N141-G145 PolarHBondContact O-N 3.25Å; N141-L146 CarbonylContact C-O 3.55Å; N141-L146 PolarHBondContact N-O 2.97Å; N141-L146 PolarHBondContact O-N 3.46Å; N141-M171 HydrophobicContact CB-CB 4.25Å; N141-M171 HydrophobicContact CB-SD 3.91Å; N141-M171 PolarHBondContact ND2-SD 3.33Å; N141-M171 VanDerWaalsContact ND2-SD 3.38Å
142A89.4Confident94.2Very high98 Ų9847.9 Ų47.981%0.8129%0.291SS*.THydrogen-bonded Turntrans-66-36.7-176.500000113A144 G145A142-A144 VanDerWaalsContact C-N 3.28Å; A142-A144 PolarHBondContact O-N 3.43Å; A142-G145 PolarHBondContact O-N 3.02Å; A142-G145 VanDerWaalsContact O-N 3.1Å
143D84.5Confident94.4Very high168 Ų16848.2 Ų48.290%0.89829%0.294SS*.THydrogen-bonded Turntrans-66.8-32.1-179.5-64-27000111.9N141N141-D143 PolarHBondContact O-N 2.92Å; N141-D143 PolarHBondContact OD1-N 3.09Å; N141-D143 VanDerWaalsContact OD1-N 3.13Å
144A82.3Confident94.4Very high46 Ų4652.7 Ų52.738%0.3832%0.315SS..THydrogen-bonded Turntrans-89.5-0.1174.500000113.6N141 A142 L146 M171N141-A144 HydrophobicContact CB-CB 4.17Å; N141-A144 PolarHBondContact O-N 3.32Å; N141-A144 WeakPolarHBondContact OD1-CB 3.42Å; N141-A144 PolarHBondContact OD1-N 3.08Å; A142-A144 VanDerWaalsContact C-N 3.28Å; A142-A144 PolarHBondContact O-N 3.43Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 HydrophobicContact CB-CD1 4.02Å; A144-L146 HydrophobicContact CB-CG 4.16Å; A144-L146 PolarHBondContact O-N 3.13Å; A144-M171 HydrophobicContact CB-CE 4.13Å; A144-M171 HydrophobicContact CB-SD 4.12Å
145G86.5Confident94.4Very high64 Ų6452.9 Ų52.966%0.6632%0.316SS*.THydrogen-bonded Turntrans66.729.2-177.800000114.4N141 A142N141-G145 PolarHBondContact O-N 3.25Å; A142-G145 PolarHBondContact O-N 3.02Å; A142-G145 VanDerWaalsContact O-N 3.1Å
146L90.6Very high94.4Very high19 Ų1952.8 Ų52.810%0.09932%0.315CS..BIsolated β-bridgetrans-109124.2-176.5-64.2172.4000111.4F138 G140 N141 A144 M171 F175 F222 L230F138-L146 HydrophobicContact CE1-CB 3.82Å; F138-L146 HydrophobicContact CE1-CD1 4.46Å; F138-L146 HydrophobicContact CZ-CB 4Å; F138-L146 HydrophobicContact CZ-CD1 4.15Å; G140-L146 CarbonylContact C-O 3.59Å; G140-L146 WeakPolarHBondContact CA-O 3.42Å; N141-L146 CarbonylContact C-O 3.55Å; N141-L146 PolarHBondContact N-O 2.97Å; N141-L146 PolarHBondContact O-N 3.46Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 HydrophobicContact CB-CD1 4.02Å; A144-L146 HydrophobicContact CB-CG 4.16Å; A144-L146 PolarHBondContact O-N 3.13Å; L146-M171 HydrophobicContact CD1-CE 4.33Å; L146-F175 HydrophobicContact CD1-CD2 3.83Å; L146-F175 HydrophobicContact CD1-CE2 3.47Å; L146-F175 VanDerWaalsContact CD1-CE2 3.47Å; L146-F175 HydrophobicContact CD1-CZ 4.04Å; L146-F175 HydrophobicContact CD2-CE2 4.41Å; L146-F222 HydrophobicContact CD2-CE2 4.07Å; L146-F222 HydrophobicContact CD2-CZ 4.21Å; L146-L230 HydrophobicContact CD1-CD1 4.1Å; L146-L230 HydrophobicContact CD2-CD1 4.2Å
147E94.3Very high94.4Very high158 Ų15855.2 Ų55.274%0.73833%0.328SS*.  trans-78.8155.7178.7-66.8-60.8143.700112.9F138F138-E147 WeakPolarHBondContact CE1-O 3.16Å
148P96.2Very high94.4Very high54 Ų5458.9 Ų58.935%0.35135%0.349SS..  trans-62.5141.6172.5-16.328.1000112.8F138 G139 L150F138-P148 CarbonylContact O-C 3.43Å; F138-P148 WeakPolarHBondContact O-CA 3.16Å; G139-P148 WeakPolarHBondContact O-CG 3.32Å; P148-L150 VanDerWaalsContact C-N 3.3Å; P148-L150 HydrophobicContact CB-CD2 4.33Å; P148-L150 HydrophobicContact CB-CG 4.37Å; P148-L150 PolarHBondContact O-N 3.32Å
149D96.7Very high94.4Very high12 Ų1260.7 Ų60.76%0.06436%0.359CS..  trans-83.768.2179-164.7-12.9000112.3K111 Y137 F138 E151 C152 K153K111-D149 WeakPolarHBondContact CE-OD2 3.43Å; K111-D149 IonicContact NZ-OD1 3.88Å; K111-D149 PolarHBondContact NZ-OD1 2.8Å; K111-D149 IonicContact NZ-OD2 2.89Å; K111-D149 PolarHBondContact NZ-OD2 3.37Å; Y137-D149 WeakPolarHBondContact CD2-O 3.45Å; F138-D149 HydrophobicContact CB-CB 4.03Å; F138-D149 PolarHBondContact O-N 3.48Å; D149-E151 PolarHBondContact O-N 2.63Å; D149-C152 HydrophobicContact CB-CB 4.31Å; D149-C152 PolarHBondContact O-N 3.33Å; D149-C152 WeakPolarHBondContact OD1-CB 3.49Å; D149-C152 PolarHBondContact OD1-N 3.33Å; D149-K153 PolarHBondContact O-N 3.08Å
150L97.7Very high94.3Very high109 Ų10961.9 Ų61.957%0.57137%0.371SS*.Hα-helixtrans-67.7-21.1178.9-59.7-178.3000113.2Y137 P148 K153 Q154Y137-L150 HydrophobicContact CE2-CD2 4.14Å; P148-L150 VanDerWaalsContact C-N 3.3Å; P148-L150 HydrophobicContact CB-CD2 4.33Å; P148-L150 HydrophobicContact CB-CG 4.37Å; P148-L150 PolarHBondContact O-N 3.32Å; L150-K153 PolarHBondContact O-N 2.98Å; L150-Q154 PolarHBondContact O-N 2.94Å; L150-Q154 VanDerWaalsContact O-N 3.07Å
151E97.3Very high94.5Very high105 Ų10561.3 Ų61.349%0.49136%0.364SS..Hα-helixtrans-62.7-49.3172.2-179.4-170.8-166.900110.1K111 D149 K153 Q154 I155K111-E151 HydrophobicContact CD-CG 4.21Å; K111-E151 WeakPolarHBondContact CD-OE2 3.23Å; K111-E151 IonicContact NZ-OE2 2.82Å; K111-E151 PolarHBondContact NZ-OE2 3.1Å; D149-E151 PolarHBondContact O-N 2.63Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 2.72Å; E151-Q154 PolarHBondContact O-N 2.83Å; E151-I155 HydrophobicContact CG-CD1 4.04Å; E151-I155 VanDerWaalsContact O-CG1 3.24Å; E151-I155 WeakPolarHBondContact O-CG1 3.43Å; E151-I155 PolarHBondContact O-N 3.2Å
152C97.8Very high94.6Very high0 Ų061.1 Ų61.10%037%0.368CS..Hα-helixtrans-60.8-41.9176.8-1790000112.1D149 Q154 I155 W156 F219D149-C152 HydrophobicContact CB-CB 4.31Å; D149-C152 PolarHBondContact O-N 3.33Å; D149-C152 WeakPolarHBondContact OD1-CB 3.49Å; D149-C152 PolarHBondContact OD1-N 3.33Å; C152-Q154 VanDerWaalsContact C-N 3.35Å; C152-Q154 PolarHBondContact O-N 3.4Å; C152-I155 PolarHBondContact O-N 3.34Å; C152-W156 VanDerWaalsContact O-CD1 3.29Å; C152-W156 PolarHBondContact O-N 3.47Å; C152-F219 HydrophobicContact CB-CE2 4.03Å
153K98.1Very high94.9Very high48 Ų4861.8 Ų61.821%0.20935%0.354CS..Hα-helixtrans-55.1-49.8174.3-179.7-179.4176.2-176.70111.3Y137 D149 L150 E151 I155 W156 I157 E163 I166Y137-K153 HydrophobicContact CD1-CB 4Å; Y137-K153 HydrophobicContact CD1-CG 4.3Å; Y137-K153 HydrophobicContact CD2-CB 4.28Å; Y137-K153 HydrophobicContact CE1-CB 4.17Å; Y137-K153 HydrophobicContact CE1-CD 3.91Å; Y137-K153 HydrophobicContact CE1-CG 4.13Å; Y137-K153 HydrophobicContact CE2-CB 4.46Å; Y137-K153 HydrophobicContact CG-CB 4.04Å; D149-K153 PolarHBondContact O-N 3.08Å; L150-K153 PolarHBondContact O-N 2.98Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 2.72Å; K153-I155 VanDerWaalsContact C-N 3.34Å; K153-I155 PolarHBondContact O-N 3.06Å; K153-W156 PolarHBondContact O-N 2.82Å; K153-I157 HydrophobicContact CG-CD1 4.25Å; K153-I157 WeakPolarHBondContact O-CG1 3.43Å; K153-I157 PolarHBondContact O-N 2.95Å; K153-E163 WeakPolarHBondContact CE-OE1 3.47Å; K153-E163 IonicContact NZ-OE1 3.1Å; K153-E163 PolarHBondContact NZ-OE1 3.49Å; K153-I166 HydrophobicContact CB-CG2 4.47Å; K153-I166 HydrophobicContact CG-CG2 3.94Å
154Q98.4Very high95.4Very high95 Ų9560.3 Ų60.344%0.44434%0.342SS..Hα-helixtrans-64.7-38.9-178.1-171.660.15200112L150 E151 C152 W156 I157 D158L150-Q154 PolarHBondContact O-N 2.94Å; L150-Q154 VanDerWaalsContact O-N 3.07Å; E151-Q154 PolarHBondContact O-N 2.83Å; C152-Q154 VanDerWaalsContact C-N 3.35Å; C152-Q154 PolarHBondContact O-N 3.4Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 3.43Å; Q154-I157 WeakPolarHBondContact O-CB 3.43Å; Q154-I157 PolarHBondContact O-N 3.39Å; Q154-D158 PolarHBondContact NE2-OD1 3.34Å; Q154-D158 VanDerWaalsContact O-CG 3.25Å; Q154-D158 PolarHBondContact O-N 3.36Å
155I98.5Very high96Very high6 Ų659.9 Ų59.93%0.03133%0.33CS..Hα-helixtrans-57.8-44.6176.7-68.4167.6000111K111 Q112 C115 E151 C152 K153 D158 L159K111-I155 HydrophobicContact CB-CD1 3.55Å; Q112-I155 HydrophobicContact CB-CD1 4.44Å; C115-I155 HydrophobicContact CB-CG2 3.67Å; E151-I155 HydrophobicContact CG-CD1 4.04Å; E151-I155 VanDerWaalsContact O-CG1 3.24Å; E151-I155 WeakPolarHBondContact O-CG1 3.43Å; E151-I155 PolarHBondContact O-N 3.2Å; C152-I155 PolarHBondContact O-N 3.34Å; K153-I155 VanDerWaalsContact C-N 3.34Å; K153-I155 PolarHBondContact O-N 3.06Å; I155-D158 PolarHBondContact O-N 3.4Å; I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CB 3.44Å; I155-L159 VanDerWaalsContact O-CG 3.24Å; I155-L159 WeakPolarHBondContact O-CG 3.23Å; I155-L159 PolarHBondContact O-N 2.65Å
156W98.3Very high96.6Very high0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-65.9-37.2178.5-75.6124.6000113.3C115 L119 V135 C152 K153 Q154 L159 G160 V161 I166 S188 I190 L217C115-W156 HydrophobicContact CB-CD2 4.38Å; C115-W156 HydrophobicContact CB-CE3 4.38Å; C115-W156 HydrophobicContact CB-CH2 3.87Å; C115-W156 HydrophobicContact CB-CZ2 3.86Å; C115-W156 HydrophobicContact CB-CZ3 4.14Å; L119-W156 HydrophobicContact CB-CZ3 4.14Å; L119-W156 HydrophobicContact CD1-CZ3 4.4Å; V135-W156 HydrophobicContact CB-CD2 4.19Å; V135-W156 HydrophobicContact CB-CG 4.36Å; V135-W156 HydrophobicContact CB-CZ2 4.42Å; V135-W156 HydrophobicContact CG1-CD2 4.17Å; V135-W156 HydrophobicContact CG1-CE3 4.29Å; V135-W156 HydrophobicContact CG1-CH2 4.25Å; V135-W156 HydrophobicContact CG1-CZ2 4.11Å; V135-W156 HydrophobicContact CG1-CZ3 4.33Å; V135-W156 HydrophobicContact CG2-CB 4.05Å; V135-W156 HydrophobicContact CG2-CD2 3.87Å; V135-W156 HydrophobicContact CG2-CG 3.64Å; C152-W156 VanDerWaalsContact O-CD1 3.29Å; C152-W156 PolarHBondContact O-N 3.47Å; K153-W156 PolarHBondContact O-N 2.82Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 3.43Å; W156-L159 HydrophobicContact CE3-CD1 4.07Å; W156-L159 HydrophobicContact CZ3-CD1 4.21Å; W156-L159 PolarHBondContact O-N 3.13Å; W156-G160 PolarHBondContact O-N 2.8Å; W156-V161 HydrophobicContact CB-CB 4.46Å; W156-V161 HydrophobicContact CE3-CG2 3.76Å; W156-V161 HydrophobicContact CZ3-CG2 4.41Å; W156-V161 WeakPolarHBondContact O-CB 3.33Å; W156-V161 PolarHBondContact O-N 2.94Å; W156-I166 HydrophobicContact CB-CD1 3.69Å; W156-I166 HydrophobicContact CB-CG1 4.12Å; W156-I166 HydrophobicContact CB-CG2 4.49Å; W156-S188 PolarHBondContact NE1-OG 2.9Å; W156-I190 HydrophobicContact CH2-CD1 3.93Å; W156-I190 HydrophobicContact CH2-CG1 4.44Å; W156-I190 HydrophobicContact CZ2-CD1 4.27Å; W156-I190 HydrophobicContact CZ2-CG1 4.38Å; W156-L217 HydrophobicContact CH2-CD1 4.36Å; W156-L217 HydrophobicContact CZ2-CD1 3.95Å
157I97.8Very high96.9Very high53 Ų5357.9 Ų57.927%0.27230%0.304SS..Hα-helixtrans-61-48.5173.1-66.3170.7000110K153 Q154 L159 G160 I166K153-I157 HydrophobicContact CG-CD1 4.25Å; K153-I157 WeakPolarHBondContact O-CG1 3.43Å; K153-I157 PolarHBondContact O-N 2.95Å; Q154-I157 WeakPolarHBondContact O-CB 3.43Å; Q154-I157 PolarHBondContact O-N 3.39Å; I157-L159 PolarHBondContact O-N 3.35Å; I157-G160 PolarHBondContact O-N 2.82Å; I157-I166 HydrophobicContact CB-CD1 4.43Å; I157-I166 HydrophobicContact CG1-CD1 3.49Å; I157-I166 VanDerWaalsContact CG1-CD1 3.49Å
158D97.9Very high97.1Very high106 Ų10654.3 Ų54.357%0.56730%0.295SS*.Hα-helixtrans-65.6-28.9-177.9-66-11.9000112.4Q154 I155 G160Q154-D158 PolarHBondContact NE2-OD1 3.34Å; Q154-D158 VanDerWaalsContact O-CG 3.25Å; Q154-D158 PolarHBondContact O-N 3.36Å; I155-D158 PolarHBondContact O-N 3.4Å; D158-G160 VanDerWaalsContact C-N 3.27Å
159L97.3Very high97Very high42 Ų4252.2 Ų52.222%0.2228%0.283CS..THydrogen-bonded Turntrans-79.2-5.7174.2-69.4172.8000113.6C115 K116 L119 I155 W156 I157C115-L159 HydrophobicContact CB-CD1 3.65Å; K116-L159 HydrophobicContact CB-CD1 4.45Å; K116-L159 HydrophobicContact CB-CD2 3.97Å; K116-L159 HydrophobicContact CG-CD2 4.09Å; L119-L159 HydrophobicContact CD2-CB 3.82Å; L119-L159 WeakPolarHBondContact CD2-O 3.43Å; I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CB 3.44Å; I155-L159 VanDerWaalsContact O-CG 3.24Å; I155-L159 WeakPolarHBondContact O-CG 3.23Å; I155-L159 PolarHBondContact O-N 2.65Å; W156-L159 HydrophobicContact CE3-CD1 4.07Å; W156-L159 HydrophobicContact CZ3-CD1 4.21Å; W156-L159 PolarHBondContact O-N 3.13Å; I157-L159 PolarHBondContact O-N 3.35Å
160G94.8Very high96.9Very high53 Ų5354.1 Ų54.155%0.54630%0.298SS..THydrogen-bonded Turntrans94.416.517300000115.5W156 I157 D158W156-G160 PolarHBondContact O-N 2.8Å; I157-G160 PolarHBondContact O-N 2.82Å; D158-G160 VanDerWaalsContact C-N 3.27Å
161V96.4Very high96.5Very high9 Ų951.3 Ų51.36%0.05528%0.282CS..  trans-75.8132.6169.3-174.70000109L119 I130 V135 W156 R165 I166L119-V161 HydrophobicContact CD1-CG2 4.47Å; I130-V161 HydrophobicContact CD1-CG2 4.46Å; V135-V161 HydrophobicContact CG2-CG1 4.02Å; W156-V161 HydrophobicContact CB-CB 4.46Å; W156-V161 HydrophobicContact CE3-CG2 3.76Å; W156-V161 HydrophobicContact CZ3-CG2 4.41Å; W156-V161 WeakPolarHBondContact O-CB 3.33Å; W156-V161 PolarHBondContact O-N 2.94Å; V161-R165 HydrophobicContact CG1-CB 4.19Å; V161-I166 HydrophobicContact CB-CD1 4.17Å; V161-I166 HydrophobicContact CB-CG1 4.17Å; V161-I166 HydrophobicContact CG1-CD1 4.33Å; V161-I166 HydrophobicContact CG1-CG1 3.8Å
162A95.4Very high96.2Very high38 Ų3855 Ų5531%0.31430%0.297SS..  trans-62.4136.7178.800000111E164 R165A162-E164 VanDerWaalsContact C-N 3.27Å; A162-E164 HydrophobicContact CB-CG 4.48Å; A162-E164 PolarHBondContact O-N 3.47Å; A162-R165 HydrophobicContact CB-CG 4.43Å; A162-R165 WeakPolarHBondContact O-CA 3.47Å; A162-R165 WeakPolarHBondContact O-CB 3.33Å; A162-R165 PolarHBondContact O-N 3.03Å
163E95.8Very high95.8Very high113 Ų11357 Ų5753%0.52831%0.307SS..G310 helixtrans-60.2-36-171.8-173.3172.7-171.500112.5K153 R165 I166K153-E163 WeakPolarHBondContact CE-OE1 3.47Å; K153-E163 IonicContact NZ-OE1 3.1Å; K153-E163 PolarHBondContact NZ-OE1 3.49Å; E163-R165 PolarHBondContact O-N 2.91Å; E163-R165 VanDerWaalsContact O-N 3.11Å; E163-I166 PolarHBondContact O-N 3.07Å
164E94.9Very high95.7Very high136 Ų13654.7 Ų54.764%0.63630%0.297SS*.G310 helixtrans-65.1-10.5175.465.9-88.6-15700114.3A162A162-E164 VanDerWaalsContact C-N 3.27Å; A162-E164 HydrophobicContact CB-CG 4.48Å; A162-E164 PolarHBondContact O-N 3.47Å
165R96.4Very high95.5Very high38 Ų3850.8 Ų50.814%0.14328%0.279CS..G310 helixtrans-105.12.6175.9-61.8177172.9-85.1-8.1112.9D131 L133 Y134 V135 V161 A162 E163D131-R165 PolarHBondContact O-NH1 3.45Å; D131-R165 PolarHBondContact O-NH2 3.44Å; D131-R165 VanDerWaalsContact O-NH2 3.09Å; L133-R165 WeakPolarHBondContact O-CD 3.46Å; Y134-R165 HydrophobicContact CD1-CB 3.91Å; Y134-R165 HydrophobicContact CD1-CG 4.01Å; Y134-R165 HydrophobicContact CE1-CB 4.2Å; Y134-R165 HydrophobicContact CE1-CG 3.78Å; Y134-R165 PolarHBondContact OH-NH1 2.8Å; V135-R165 PolarHBondContact N-O 2.75Å; V161-R165 HydrophobicContact CG1-CB 4.19Å; A162-R165 HydrophobicContact CB-CG 4.43Å; A162-R165 WeakPolarHBondContact O-CA 3.47Å; A162-R165 WeakPolarHBondContact O-CB 3.33Å; A162-R165 PolarHBondContact O-N 3.03Å; E163-R165 PolarHBondContact O-N 2.91Å; E163-R165 VanDerWaalsContact O-N 3.11Å
166I97.9Very high95.2Very high8 Ų852.3 Ų52.34%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-105.9101.5177-54.2170.2000108.4V135 Y137 K153 W156 I157 V161 E163V135-I166 HydrophobicContact CG2-CB 4.21Å; V135-I166 HydrophobicContact CG2-CG1 3.74Å; V135-I166 HydrophobicContact CG2-CG2 4.18Å; V135-I166 CarbonylContact O-C 3.58Å; V135-I166 WeakPolarHBondContact O-CA 3.42Å; Y137-I166 HydrophobicContact CD1-CG2 3.9Å; Y137-I166 HydrophobicContact CE1-CG2 4.33Å; K153-I166 HydrophobicContact CB-CG2 4.47Å; K153-I166 HydrophobicContact CG-CG2 3.94Å; W156-I166 HydrophobicContact CB-CD1 3.69Å; W156-I166 HydrophobicContact CB-CG1 4.12Å; W156-I166 HydrophobicContact CB-CG2 4.49Å; I157-I166 HydrophobicContact CB-CD1 4.43Å; I157-I166 HydrophobicContact CG1-CD1 3.49Å; I157-I166 VanDerWaalsContact CG1-CD1 3.49Å; V161-I166 HydrophobicContact CB-CD1 4.17Å; V161-I166 HydrophobicContact CB-CG1 4.17Å; V161-I166 HydrophobicContact CG1-CD1 4.33Å; V161-I166 HydrophobicContact CG1-CG1 3.8Å; E163-I166 PolarHBondContact O-N 3.07Å
167L97.9Very high94.7Very high32 Ų3254.1 Ų54.117%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-107.4140.9-167.4-54.2177000111.8Y134 V135 T136 Y137 V204Y134-L167 HydrophobicContact CD1-CD1 4.25Å; V135-L167 PolarHBondContact O-N 3.09Å; T136-L167 CarbonylContact C-O 3.48Å; T136-L167 WeakPolarHBondContact CA-O 3.43Å; T136-L167 HydrophobicContact CG2-CB 4.44Å; Y137-L167 VanDerWaalsContact CD1-O 3.32Å; Y137-L167 WeakPolarHBondContact CD1-O 3.18Å; Y137-L167 PolarHBondContact N-O 3.27Å; L167-V204 HydrophobicContact CD1-CB 3.83Å; L167-V204 HydrophobicContact CD1-CG1 4.13Å; L167-V204 HydrophobicContact CD1-CG2 3.73Å
168P97.1Very high93.6Very high83 Ų8351.7 Ų51.754%0.53928%0.28SS..EExtended strand (participates in β ladder)trans-72.9133.7168.530.2-31.6000109.4Y137Y137-P168 HydrophobicContact CE1-CB 4.02Å; Y137-P168 HydrophobicContact CE2-CB 4.31Å; Y137-P168 WeakPolarHBondContact O-CA 3.35Å
169G94.8Very high92.5Very high11 Ų1147 Ų4711%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-115.8167.716800000113.3Y137 G139 N174Y137-G169 PolarHBondContact O-N 3.48Å; G139-G169 WeakPolarHBondContact CA-O 3.47Å; G139-G169 PolarHBondContact N-O 3.22Å; G169-N174 WeakPolarHBondContact CA-OD1 3.43Å; G169-N174 PolarHBondContact N-OD1 3.33Å
170S93.9Very high91.2Very high52 Ų5250.6 Ų50.636%0.36428%0.276SS..  trans-80.9178-170.777.90000112.2K172 D173 N174S170-K172 PolarHBondContact O-N 2.94Å; S170-K172 WeakPolarHBondContact OG-CB 3.26Å; S170-K172 PolarHBondContact OG-N 3.45Å; S170-K172 VanDerWaalsContact OG-N 3.1Å; S170-D173 WeakPolarHBondContact CB-OD2 3.46Å; S170-D173 PolarHBondContact N-OD2 3.31Å; S170-D173 PolarHBondContact O-N 2.64Å; S170-D173 VanDerWaalsContact OG-CG 3.3Å; S170-D173 PolarHBondContact OG-N 3.39Å; S170-D173 PolarHBondContact OG-OD2 2.73Å; S170-N174 PolarHBondContact O-N 3.08Å
171M90.9Very high90.5Very high50 Ų5050.6 Ų50.625%0.24627%0.266CS..Hα-helixtrans-64.9-25.9168.4-171.5176.4-178.900113F138 N141 A144 L146 D173 F175F138-M171 HydrophobicContact CE2-CB 4.16Å; F138-M171 HydrophobicContact CE2-CG 4.47Å; N141-M171 HydrophobicContact CB-CB 4.25Å; N141-M171 HydrophobicContact CB-SD 3.91Å; N141-M171 PolarHBondContact ND2-SD 3.33Å; N141-M171 VanDerWaalsContact ND2-SD 3.38Å; A144-M171 HydrophobicContact CB-CE 4.13Å; A144-M171 HydrophobicContact CB-SD 4.12Å; L146-M171 HydrophobicContact CD1-CE 4.33Å; M171-D173 VanDerWaalsContact C-N 3.35Å; M171-F175 HydrophobicContact CE-CD1 4.32Å; M171-F175 HydrophobicContact CG-CB 3.88Å; M171-F175 HydrophobicContact CG-CG 4.33Å; M171-F175 WeakPolarHBondContact O-CB 3.37Å
172K90.1Very high90Very high183 Ų18350.4 Ų50.480%0.79627%0.266SS*.Hα-helixtrans-69.7-37.1176.3-175.4-170.1169.6-157.80111.4S170S170-K172 PolarHBondContact O-N 2.94Å; S170-K172 WeakPolarHBondContact OG-CB 3.26Å; S170-K172 PolarHBondContact OG-N 3.45Å; S170-K172 VanDerWaalsContact OG-N 3.1Å
173D89.9Confident89.7Confident41 Ų4148.6 Ų48.622%0.21925%0.251CS..Hα-helixtrans-97.8-45.8-170.8-37.8-52.3000111.1S170 M171 E189 N205S170-D173 WeakPolarHBondContact CB-OD2 3.46Å; S170-D173 PolarHBondContact N-OD2 3.31Å; S170-D173 PolarHBondContact O-N 2.64Å; S170-D173 VanDerWaalsContact OG-CG 3.3Å; S170-D173 PolarHBondContact OG-N 3.39Å; S170-D173 PolarHBondContact OG-OD2 2.73Å; M171-D173 VanDerWaalsContact C-N 3.35Å; D173-E189 VanDerWaalsContact O-OE1 3.1Å; D173-N205 WeakPolarHBondContact CB-ND2 3.43Å
174N95.4Very high89.6Confident0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-107.521.2-172.9-74.2116.2000115.2T136 F138 G169 S170 P186 C187T136-N174 WeakPolarHBondContact CB-OD1 3.47Å; T136-N174 PolarHBondContact OG1-ND2 3.33Å; T136-N174 PolarHBondContact OG1-OD1 3.4Å; F138-N174 HydrophobicContact CB-CB 4Å; F138-N174 HydrophobicContact CD2-CB 4.06Å; F138-N174 VanDerWaalsContact CD2-O 3.32Å; F138-N174 WeakPolarHBondContact CD2-O 3.35Å; G169-N174 WeakPolarHBondContact CA-OD1 3.43Å; G169-N174 PolarHBondContact N-OD1 3.33Å; S170-N174 PolarHBondContact O-N 3.08Å; N174-P186 CarbonylContact O-C 3.56Å; N174-P186 WeakPolarHBondContact O-CA 3.49Å; N174-C187 VanDerWaalsContact C-SG 3.57Å; N174-C187 VanDerWaalsContact CA-SG 3.53Å; N174-C187 PolarHBondContact ND2-O 3.36Å; N174-C187 PolarHBondContact O-N 3.15Å
175F93.9Very high89.6Confident12 Ų1236.8 Ų36.85%0.05320%0.196CC..EExtended strand (participates in β ladder)trans-129.2108.2167.1-165.9-84.6000109.5F138 L146 M171 C184 F222 L230F138-F175 HydrophobicContact CD2-CB 4.29Å; F138-F175 HydrophobicContact CE2-CB 4.01Å; F138-F175 HydrophobicContact CE2-CD2 4.34Å; F138-F175 HydrophobicContact CZ-CD2 4.2Å; L146-F175 HydrophobicContact CD1-CD2 3.83Å; L146-F175 HydrophobicContact CD1-CE2 3.47Å; L146-F175 VanDerWaalsContact CD1-CE2 3.47Å; L146-F175 HydrophobicContact CD1-CZ 4.04Å; L146-F175 HydrophobicContact CD2-CE2 4.41Å; M171-F175 HydrophobicContact CE-CD1 4.32Å; M171-F175 HydrophobicContact CG-CB 3.88Å; M171-F175 HydrophobicContact CG-CG 4.33Å; M171-F175 WeakPolarHBondContact O-CB 3.37Å; F175-C184 HydrophobicContact CE1-CB 4.25Å; F175-F222 HydrophobicContact CE2-CD2 4.26Å; F175-F222 HydrophobicContact CE2-CE2 4.45Å; F175-F222 HydrophobicContact CZ-CD2 4.23Å; F175-L230 HydrophobicContact CZ-CD1 3.87Å; F175-L230 HydrophobicContact CZ-CD2 4.29Å
176W92Very high89.6Confident39 Ų3935.1 Ų35.115%0.14819%0.19CC..EExtended strand (participates in β ladder)trans-98135.1-171.6-168.994.3000111.8A44 M46 M178 C184 G185 C187 V218A44-W176 HydrophobicContact CB-CH2 4.09Å; A44-W176 HydrophobicContact CB-CZ2 3.84Å; M46-W176 HydrophobicContact CE-CZ3 4.28Å; M46-W176 HydrophobicContact CG-CH2 3.63Å; M46-W176 HydrophobicContact CG-CZ3 4.03Å; M46-W176 HydrophobicContact SD-CH2 4.24Å; M46-W176 HydrophobicContact SD-CZ3 4.43Å; W176-M178 HydrophobicContact CH2-CB 3.52Å; W176-M178 HydrophobicContact CH2-CG 3.99Å; W176-M178 HydrophobicContact CZ2-CB 4.43Å; W176-M178 HydrophobicContact CZ3-CB 3.75Å; W176-C184 VanDerWaalsContact O-CA 3.28Å; W176-C184 WeakPolarHBondContact O-CA 3.15Å; W176-C184 WeakPolarHBondContact O-CB 3.39Å; W176-G185 PolarHBondContact N-O 3.18Å; W176-G185 PolarHBondContact O-N 3.15Å; W176-G185 VanDerWaalsContact O-N 3.08Å; W176-C187 HydrophobicContact CB-CB 4.36Å; W176-V218 HydrophobicContact CB-CB 4.42Å; W176-V218 HydrophobicContact CB-CG1 3.83Å; W176-V218 HydrophobicContact CB-CG2 3.66Å; W176-V218 HydrophobicContact CD2-CG1 4.44Å; W176-V218 HydrophobicContact CD2-CG2 4.02Å; W176-V218 HydrophobicContact CE3-CG1 4.13Å; W176-V218 HydrophobicContact CE3-CG2 4.4Å; W176-V218 HydrophobicContact CG-CG1 4.36Å; W176-V218 HydrophobicContact CG-CG2 3.69Å
177E87.8Confident89.6Confident37 Ų3734.8 Ų34.817%0.17319%0.188CC..EExtended strand (participates in β ladder)trans-144.1135.8175.752.8-179.962.300109.8K81 C184 R224K81-E177 IonicContact NZ-OE2 3.49Å; K81-E177 PolarHBondContact NZ-OE2 3.41Å; E177-C184 HydrophobicContact CB-CB 3.81Å; E177-R224 IonicContact OE1-CZ 2.68Å; E177-R224 IonicContact OE1-NE 2.67Å; E177-R224 PolarHBondContact OE1-NE 3.27Å; E177-R224 IonicContact OE1-NH2 3.03Å; E177-R224 PolarHBondContact OE1-NH2 3.3Å; E177-R224 IonicContact OE2-NE 3.66Å
178M74.6Confident89.6Confident2 Ų233.2 Ų33.21%0.0118%0.18CC..SBendtrans-71.1-31.9-172.5-174.3-159.271.100113.8L39 N43 M46 N47 K50 W176L39-M178 HydrophobicContact CD1-CE 3.87Å; L39-M178 HydrophobicContact CD1-CG 4.47Å; L39-M178 HydrophobicContact CD1-SD 3.9Å; L39-M178 HydrophobicContact CD2-CE 4.47Å; L39-M178 HydrophobicContact CG-CE 4.27Å; N43-M178 PolarHBondContact ND2-O 3.12Å; M46-M178 HydrophobicContact SD-CB 4.32Å; M46-M178 HydrophobicContact SD-CG 3.99Å; M46-M178 HydrophobicContact SD-SD 3.58Å; N47-M178 WeakPolarHBondContact ND2-CG 3.2Å; N47-M178 PolarHBondContact ND2-SD 3.17Å; K50-M178 HydrophobicContact CD-CE 4.06Å; K50-M178 HydrophobicContact CD-SD 4.14Å; W176-M178 HydrophobicContact CH2-CB 3.52Å; W176-M178 HydrophobicContact CH2-CG 3.99Å; W176-M178 HydrophobicContact CZ2-CB 4.43Å; W176-M178 HydrophobicContact CZ3-CB 3.75Å
179G74.3Confident89.6Confident8 Ų830 Ų308%0.08216%0.157CC..SBendtrans-171.7-165-173.900000110.3T181G179-T181 PolarHBondContact O-N 3.19Å
180D71.4Confident89.8Confident118 Ų11829.5 Ų29.563%0.63115%0.153SC*.SBendtrans-63.6-27.3-176.4-57.4-19.4000112.5R224D180-R224 VanDerWaalsContact O-CD 3.32Å; D180-R224 WeakPolarHBondContact O-CD 3.36Å
181T79.1Confident89.9Confident52 Ų5227.2 Ų27.232%0.31914%0.136SC..SBendtrans-138.6154.2174.864.60000111.4G179 R224 E225G179-T181 PolarHBondContact O-N 3.19Å; T181-R224 CarbonylContact C-O 3.58Å; T181-R224 VanDerWaalsContact CA-O 3.23Å; T181-R224 WeakPolarHBondContact CA-O 3.49Å; T181-R224 VanDerWaalsContact CB-O 3.3Å; T181-R224 WeakPolarHBondContact CB-O 3.44Å; T181-E225 WeakPolarHBondContact CG2-O 3.26Å
182G86.2Confident90.2Very high6 Ų625 Ų256%0.06213%0.125CC..EExtended strand (participates in β ladder)trans126.8-173.6175.100000115.5N223 R224G182-N223 VanDerWaalsContact CA-OD1 3.25Å; G182-N223 WeakPolarHBondContact CA-OD1 3.41Å; G182-N223 WeakPolarHBondContact O-CA 3.31Å; G182-N223 PolarHBondContact O-OD1 2.91Å; G182-R224 PolarHBondContact N-O 3.38Å; G182-R224 PolarHBondContact O-N 2.94Å
183P90.3Very high90.5Very high0 Ų016.3 Ų16.30%09%0.087CC..EExtended strand (participates in β ladder)trans-61.6135.6-178.8-19.631.3000112.1M46 F53 L54 I220 F222 L233M46-P183 HydrophobicContact CE-CB 3.82Å; M46-P183 HydrophobicContact CE-CG 3.98Å; F53-P183 HydrophobicContact CB-CB 4.03Å; F53-P183 HydrophobicContact CB-CG 3.7Å; F53-P183 HydrophobicContact CG-CG 4.47Å; L54-P183 HydrophobicContact CD2-CG 3.66Å; L54-P183 HydrophobicContact CG-CG 3.84Å; P183-I220 HydrophobicContact CB-CD1 4.42Å; P183-I220 HydrophobicContact CB-CG2 3.94Å; P183-F222 CarbonylContact C-O 3.57Å; P183-F222 WeakPolarHBondContact CA-O 3.03Å; P183-L233 HydrophobicContact CB-CD1 4.35Å
184C92.9Very high90.6Very high0 Ų015.5 Ų15.50%08%0.081CC..EExtended strand (participates in β ladder)trans-152.4170.6-17755.10000111.8F175 W176 E177 Q221 F222F175-C184 HydrophobicContact CE1-CB 4.25Å; W176-C184 VanDerWaalsContact O-CA 3.28Å; W176-C184 WeakPolarHBondContact O-CA 3.15Å; W176-C184 WeakPolarHBondContact O-CB 3.39Å; E177-C184 HydrophobicContact CB-CB 3.81Å; C184-Q221 PolarHBondContact O-N 3.49Å; C184-Q221 VanDerWaalsContact O-N 3.16Å; C184-F222 PolarHBondContact N-O 2.82Å; C184-F222 PolarHBondContact O-N 3.48Å; C184-F222 VanDerWaalsContact O-O 3.08Å
185G94.9Very high90.5Very high0 Ų020 Ų200%010%0.104CC..EExtended strand (participates in β ladder)trans175171.4176.200000113.9W176W176-G185 PolarHBondContact N-O 3.18Å; W176-G185 PolarHBondContact O-N 3.15Å; W176-G185 VanDerWaalsContact O-N 3.08Å
186P96.7Very high90.4Very high4 Ų420.1 Ų20.13%0.02611%0.109CC..EExtended strand (participates in β ladder)trans-61.9153.8170.128.9-33.4000109.9F138 N174 F219 Q221F138-P186 HydrophobicContact CB-CB 3.67Å; F138-P186 HydrophobicContact CD1-CB 3.91Å; F138-P186 HydrophobicContact CG-CB 3.88Å; N174-P186 CarbonylContact O-C 3.56Å; N174-P186 WeakPolarHBondContact O-CA 3.49Å; P186-F219 HydrophobicContact CG-CB 4.33Å; P186-F219 HydrophobicContact CG-CD2 4.45Å; P186-F219 WeakPolarHBondContact O-CA 3.34Å; P186-F219 VanDerWaalsContact O-CB 3.27Å; P186-F219 WeakPolarHBondContact O-CB 3.29Å; P186-F219 WeakPolarHBondContact O-CD2 3.29Å; P186-F219 PolarHBondContact O-N 3.02Å; P186-Q221 VanDerWaalsContact CD-NE2 3.29Å
187C97.3Very high90.3Very high0 Ų022.3 Ų22.30%014%0.144CC..EExtended strand (participates in β ladder)trans-139.7167.3178.972.20000112.4N174 W176 N216 L217 V218N174-C187 VanDerWaalsContact C-SG 3.57Å; N174-C187 VanDerWaalsContact CA-SG 3.53Å; N174-C187 PolarHBondContact ND2-O 3.36Å; N174-C187 PolarHBondContact O-N 3.15Å; W176-C187 HydrophobicContact CB-CB 4.36Å; C187-N216 WeakPolarHBondContact CB-OD1 3.43Å; C187-N216 PolarHBondContact SG-OD1 3.14Å; C187-L217 CarbonylContact C-O 3.54Å; C187-L217 WeakPolarHBondContact CA-O 3.41Å; C187-L217 VanDerWaalsContact CB-O 3.24Å; C187-L217 WeakPolarHBondContact CB-O 3.38Å; C187-V218 HydrophobicContact CB-CB 4.14Å; C187-V218 HydrophobicContact CB-CG1 4.38Å; C187-V218 HydrophobicContact CB-CG2 3.85Å
188S98Very high90.6Very high0 Ų024.5 Ų24.50%015%0.151CC..EExtended strand (participates in β ladder)trans-126122.5176.1-179.70000108.8T136 W156 L217T136-S188 WeakPolarHBondContact O-CA 3.49Å; T136-S188 WeakPolarHBondContact O-CB 3.22Å; T136-S188 PolarHBondContact O-OG 2.81Å; W156-S188 PolarHBondContact NE1-OG 2.9Å; S188-L217 PolarHBondContact N-O 2.86Å; S188-L217 PolarHBondContact O-N 2.88Å
189E97.7Very high91.6Very high14 Ų1429.2 Ų29.27%0.06518%0.176CC..EExtended strand (participates in β ladder)trans-103138.5-178.6-58.2167142.800110.1V135 T136 D173 H191 N205 E213 W215 N216V135-E189 CarbonylContact C-O 3.47Å; V135-E189 WeakPolarHBondContact CA-O 3.5Å; T136-E189 PolarHBondContact N-O 2.8Å; T136-E189 WeakPolarHBondContact OG1-CB 3.27Å; T136-E189 PolarHBondContact OG1-N 2.87Å; T136-E189 PolarHBondContact OG1-O 3.28Å; D173-E189 VanDerWaalsContact O-OE1 3.1Å; E189-H191 IonicContact OE2-CE1 3.97Å; E189-N205 PolarHBondContact OE2-ND2 3.36Å; E189-N205 PolarHBondContact OE2-OD1 2.92Å; E189-N205 VanDerWaalsContact OE2-OD1 3.08Å; E189-E213 HydrophobicContact CB-CG 4.25Å; E189-W215 CarbonylContact C-O 3.04Å; E189-W215 WeakPolarHBondContact CA-O 3.38Å; E189-N216 HydrophobicContact CG-CB 4.42Å
190I98.1Very high92.6Very high2 Ų228.8 Ų28.81%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-106.8120.9178-50.8178.9000108.3A118 L122 L133 V135 W156 I214 W215 L217A118-I190 HydrophobicContact CB-CD1 3.92Å; L122-I190 HydrophobicContact CD1-CD1 3.96Å; L122-I190 HydrophobicContact CD1-CG2 3.79Å; L133-I190 HydrophobicContact CD2-CG2 4.06Å; V135-I190 HydrophobicContact CG1-CG1 4.2Å; V135-I190 HydrophobicContact CG1-CG2 4.32Å; W156-I190 HydrophobicContact CH2-CD1 3.93Å; W156-I190 HydrophobicContact CH2-CG1 4.44Å; W156-I190 HydrophobicContact CZ2-CD1 4.27Å; W156-I190 HydrophobicContact CZ2-CG1 4.38Å; I190-I214 HydrophobicContact CG2-CD1 4.49Å; I190-I214 HydrophobicContact CG2-CG1 4.37Å; I190-I214 VanDerWaalsContact O-CG1 3.31Å; I190-I214 WeakPolarHBondContact O-CG1 3.32Å; I190-I214 PolarHBondContact O-N 2.98Å; I190-W215 HydrophobicContact CB-CB 4.25Å; I190-W215 HydrophobicContact CD1-CB 4.32Å; I190-W215 HydrophobicContact CD1-CE3 4.17Å; I190-W215 HydrophobicContact CG1-CB 4.46Å; I190-W215 PolarHBondContact N-O 3.38Å; I190-W215 PolarHBondContact O-N 2.88Å; I190-L217 HydrophobicContact CD1-CD1 4.37Å
191H97.4Very high93.7Very high4 Ų424.8 Ų24.82%0.01915%0.153CC..EExtended strand (participates in β ladder)trans-110.8146-179-70.476.7000111.1L133 Y134 E189 V204 N205 V211 L212L133-H191 CarbonylContact C-O 3.35Å; L133-H191 VanDerWaalsContact CA-O 3.3Å; L133-H191 WeakPolarHBondContact CA-O 3.5Å; Y134-H191 PolarHBondContact N-O 3.42Å; Y134-H191 PolarHBondContact O-N 3.16Å; E189-H191 IonicContact OE2-CE1 3.97Å; H191-V204 HydrophobicContact CB-CG2 4.44Å; H191-N205 PolarHBondContact CE1-OD1 2.9Å; H191-N205 PolarHBondContact NE2-OD1 3.36Å; H191-V211 HydrophobicContact CB-CG1 4.2Å; H191-L212 CarbonylContact C-O 3.52Å; H191-L212 VanDerWaalsContact CA-O 3.26Å; H191-L212 WeakPolarHBondContact CA-O 3.34Å
192Y96.3Very high94.4Very high3 Ų328.4 Ų28.41%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-119.7120.8177.3177.3-102.6000111.3M1 I128 R132 L133 R194 V211 L212 V250M1-Y192 WeakPolarHBondContact CE-OH 3.04Å; I128-Y192 HydrophobicContact CG2-CD2 3.76Å; I128-Y192 HydrophobicContact CG2-CE2 3.63Å; R132-Y192 HydrophobicContact CB-CD2 4Å; R132-Y192 HydrophobicContact CB-CE2 3.7Å; R132-Y192 PolarHBondContact NE-OH 3.25Å; R132-Y192 PolarHBondContact NH1-OH 3.36Å; R132-Y192 VanDerWaalsContact NH1-OH 3.08Å; R132-Y192 PolarHBondContact NH2-OH 3.33Å; L133-Y192 HydrophobicContact CD2-CD2 4.14Å; Y192-R194 HydrophobicContact CD1-CG 4.03Å; Y192-R194 HydrophobicContact CE1-CG 4.04Å; Y192-R194 PolarHBondContact O-N 3.3Å; Y192-V211 WeakPolarHBondContact O-CA 3.49Å; Y192-L212 PolarHBondContact N-O 2.98Å; Y192-L212 PolarHBondContact O-N 2.88Å; Y192-L212 VanDerWaalsContact O-N 3.08Å; Y192-V250 HydrophobicContact CD1-CB 4.3Å; Y192-V250 HydrophobicContact CD1-CG1 3.71Å; Y192-V250 HydrophobicContact CD1-CG2 3.59Å; Y192-V250 HydrophobicContact CD2-CG1 4.34Å; Y192-V250 HydrophobicContact CE1-CB 4.34Å; Y192-V250 HydrophobicContact CE1-CG1 3.56Å; Y192-V250 HydrophobicContact CE1-CG2 4.02Å; Y192-V250 HydrophobicContact CE2-CG1 4.22Å; Y192-V250 HydrophobicContact CG-CG1 4.07Å; Y192-V250 HydrophobicContact CG-CG2 4.28Å
193D95.9Very high94.8Very high1 Ų129.5 Ų29.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-82.3112.6171.7177.619.6000110.3R132 Y134 I195 G196 R198 A200 V211R132-D193 VanDerWaalsContact CZ-O 3.25Å; R132-D193 PolarHBondContact NE-O 3.3Å; R132-D193 PolarHBondContact NH2-O 3.22Å; R132-D193 PolarHBondContact O-N 3Å; Y134-D193 HydrophobicContact CE2-CB 4.18Å; D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.41Å; D193-I195 PolarHBondContact OD1-N 2.9Å; D193-G196 WeakPolarHBondContact OD2-CA 3.44Å; D193-G196 PolarHBondContact OD2-N 3.32Å; D193-R198 IonicContact OD1-CZ 3.6Å; D193-R198 IonicContact OD1-NE 3.47Å; D193-R198 PolarHBondContact OD1-NE 3.43Å; D193-R198 IonicContact OD1-NH2 2.72Å; D193-R198 PolarHBondContact OD1-NH2 2.89Å; D193-R198 WeakPolarHBondContact OD2-CG 3.47Å; D193-R198 IonicContact OD2-NE 2.88Å; D193-R198 PolarHBondContact OD2-NE 3.4Å; D193-R198 VanDerWaalsContact OD2-NE 3.12Å; D193-R198 IonicContact OD2-NH2 3.4Å; D193-A200 HydrophobicContact CB-CB 4.23Å; D193-V211 HydrophobicContact CB-CG2 4.46Å
194R92.7Very high95Very high23 Ų2330.2 Ų30.29%0.08717%0.174CC..SBendtrans-69.1-16178.6-68.1-173.4174.9-84.37.5114.6R132 Y192 N210 L212 S249 K254 M255R132-R194 PolarHBondContact NH2-O 2.89Å; Y192-R194 HydrophobicContact CD1-CG 4.03Å; Y192-R194 HydrophobicContact CE1-CG 4.04Å; Y192-R194 PolarHBondContact O-N 3.3Å; R194-N210 WeakPolarHBondContact CB-O 3.33Å; R194-N210 PolarHBondContact N-O 3.25Å; R194-L212 VanDerWaalsContact CZ-CD1 3.48Å; R194-S249 PolarHBondContact NH1-O 3.49Å; R194-S249 PolarHBondContact NH2-OG 3.05Å; R194-K254 VanDerWaalsContact CZ-O 3.22Å; R194-K254 PolarHBondContact NH1-O 3.13Å; R194-K254 PolarHBondContact NH2-O 2.82Å; R194-M255 HydrophobicContact CB-SD 4.48Å
195I93.2Very high94.9Very high94 Ų9432.2 Ų32.248%0.48219%0.185SC..SBendtrans-93.1-49.3176.6-66.1175.3000110.5D193 R198 N210D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.41Å; D193-I195 PolarHBondContact OD1-N 2.9Å; I195-R198 VanDerWaalsContact CD1-CZ 3.49Å; I195-N210 HydrophobicContact CD1-CB 4.28Å
196G91.2Very high94.6Very high16 Ų1638.2 Ų38.217%0.16522%0.215CC..  trans71.1171.2-179.200000113.3D193 R198D193-G196 WeakPolarHBondContact OD2-CA 3.44Å; D193-G196 PolarHBondContact OD2-N 3.32Å; G196-R198 PolarHBondContact O-N 2.87Å; G196-R198 VanDerWaalsContact O-N 3.16Å
197G91.3Very high94Very high85 Ų8544.2 Ų44.288%0.87625%0.246SC*.SBendtrans64.717.3178.300000115.2
198R94Very high93.5Very high82 Ų8246.2 Ų46.231%0.30926%0.257SS..SBendtrans-139.6169.1-179.665.8179-178.5166.73.2110.9Y134 D193 I195 G196Y134-R198 PolarHBondContact OH-O 3.2Å; D193-R198 IonicContact OD1-CZ 3.6Å; D193-R198 IonicContact OD1-NE 3.47Å; D193-R198 PolarHBondContact OD1-NE 3.43Å; D193-R198 IonicContact OD1-NH2 2.72Å; D193-R198 PolarHBondContact OD1-NH2 2.89Å; D193-R198 WeakPolarHBondContact OD2-CG 3.47Å; D193-R198 IonicContact OD2-NE 2.88Å; D193-R198 PolarHBondContact OD2-NE 3.4Å; D193-R198 VanDerWaalsContact OD2-NE 3.12Å; D193-R198 IonicContact OD2-NH2 3.4Å; I195-R198 VanDerWaalsContact CD1-CZ 3.49Å; G196-R198 PolarHBondContact O-N 2.87Å; G196-R198 VanDerWaalsContact O-N 3.16Å
199D94.3Very high92.7Very high101 Ų10148.8 Ų48.854%0.5427%0.274SS..  trans-89.1113164.4-179.615.9000110.2S201 H202D199-S201 VanDerWaalsContact OD1-CB 3.23Å; D199-S201 WeakPolarHBondContact OD1-CB 3.44Å; D199-S201 PolarHBondContact OD1-N 2.96Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 3.07Å; D199-H202 PolarHBondContact O-CE1 3.47Å
200A95.4Very high92.3Very high0 Ų050 Ų500%028%0.281CS..  trans-111.114.1177.900000112.9Y134 D193 H202 L203 V211Y134-A200 HydrophobicContact CE2-CB 3.87Å; Y134-A200 PolarHBondContact OH-N 2.85Å; D193-A200 HydrophobicContact CB-CB 4.23Å; A200-H202 PolarHBondContact O-N 3.16Å; A200-L203 HydrophobicContact CB-CD1 4.43Å; A200-L203 WeakPolarHBondContact O-CB 3.45Å; A200-L203 PolarHBondContact O-N 2.68Å; A200-V211 HydrophobicContact CB-CG2 3.95Å
201S94.4Very high92.1Very high33 Ų3350.2 Ų50.223%0.23128%0.282CS..G310 helixtrans-53.4-39.3-178.754.60000113.4D199 L203 V204D199-S201 VanDerWaalsContact OD1-CB 3.23Å; D199-S201 WeakPolarHBondContact OD1-CB 3.44Å; D199-S201 PolarHBondContact OD1-N 2.96Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 3.07Å; S201-L203 PolarHBondContact O-N 3.12Å; S201-V204 PolarHBondContact O-N 2.83Å
202H94Very high91.8Very high129 Ų12950.5 Ų50.560%0.59728%0.284SS*.G310 helixtrans-70.3-5.4178.166.4-79.8000115.2D199 A200 M206D199-H202 PolarHBondContact O-CE1 3.47Å; A200-H202 PolarHBondContact O-N 3.16Å; H202-M206 WeakPolarHBondContact O-CG 3.23Å
203L94.8Very high91.7Very high28 Ų2852.9 Ų52.915%0.14730%0.295CS..G310 helixtrans-107.1-9.1178.4-60.4175.5000112.7A200 S201 M206 D208 V211A200-L203 HydrophobicContact CB-CD1 4.43Å; A200-L203 WeakPolarHBondContact O-CB 3.45Å; A200-L203 PolarHBondContact O-N 2.68Å; S201-L203 PolarHBondContact O-N 3.12Å; L203-M206 WeakPolarHBondContact O-CB 3.46Å; L203-M206 PolarHBondContact O-N 2.77Å; L203-D208 HydrophobicContact CB-CB 4.41Å; L203-D208 HydrophobicContact CD2-CB 4.47Å; L203-V211 HydrophobicContact CB-CB 4.15Å; L203-V211 HydrophobicContact CB-CG2 3.73Å; L203-V211 HydrophobicContact CD1-CG2 3.96Å
204V94.3Very high91.7Very high15 Ų1553 Ų539%0.09130%0.296CS..THydrogen-bonded Turntrans-65132.9175.4174.50000109.1Y134 T136 L167 H191 S201 M206 V211Y134-V204 HydrophobicContact CD1-CG2 4.25Å; Y134-V204 HydrophobicContact CG-CG2 3.96Å; T136-V204 HydrophobicContact CG2-CG1 3.68Å; L167-V204 HydrophobicContact CD1-CB 3.83Å; L167-V204 HydrophobicContact CD1-CG1 4.13Å; L167-V204 HydrophobicContact CD1-CG2 3.73Å; H191-V204 HydrophobicContact CB-CG2 4.44Å; S201-V204 PolarHBondContact O-N 2.83Å; V204-M206 PolarHBondContact O-N 2.98Å; V204-V211 HydrophobicContact CG2-CG1 4.11Å
205N90.9Very high91.9Very high42 Ų4252 Ų5223%0.22529%0.292CS..THydrogen-bonded Turntrans57.926.3-174.5-67.4-21.9000115.6D173 E189 H191D173-N205 WeakPolarHBondContact CB-ND2 3.43Å; E189-N205 PolarHBondContact OE2-ND2 3.36Å; E189-N205 PolarHBondContact OE2-OD1 2.92Å; E189-N205 VanDerWaalsContact OE2-OD1 3.08Å; H191-N205 PolarHBondContact CE1-OD1 2.9Å; H191-N205 PolarHBondContact NE2-OD1 3.36Å
206M89.8Confident92.1Very high127 Ų12748.2 Ų48.263%0.62627%0.273SS*.THydrogen-bonded Turntrans-111.516.1177.4-63.1-59.4-59.100114H202 L203 V204 D208H202-M206 WeakPolarHBondContact O-CG 3.23Å; L203-M206 WeakPolarHBondContact O-CB 3.46Å; L203-M206 PolarHBondContact O-N 2.77Å; V204-M206 PolarHBondContact O-N 2.98Å; M206-D208 PolarHBondContact O-N 3.04Å
207D82.3Confident92.4Very high129 Ų12947.4 Ų47.469%0.6927%0.265SS*.THydrogen-bonded Turntrans54.730-179.4-61.4-47.1000114.4Y93Y93-D207 PolarHBondContact OH-O 3.47Å
208D86.8Confident92.7Very high43 Ų4343.6 Ų43.623%0.2322%0.224CC..  trans-81.5127.3177.6-169.8-69.1000111.1L203 M206 N210 V211L203-D208 HydrophobicContact CB-CB 4.41Å; L203-D208 HydrophobicContact CD2-CB 4.47Å; M206-D208 PolarHBondContact O-N 3.04Å; D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 WeakPolarHBondContact OD1-CA 3.47Å; D208-N210 WeakPolarHBondContact OD1-CB 3.24Å; D208-N210 PolarHBondContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 2.99Å; D208-V211 CarbonylContact O-C 3.59Å; D208-V211 PolarHBondContact O-N 3.38Å; D208-V211 VanDerWaalsContact O-O 3.08Å
209P82.9Confident92.9Very high54 Ų5439.7 Ų39.735%0.35121%0.209SC..THydrogen-bonded Turntrans-64.6-15.6-177.326.7-35.7000114.2Y93Y93-P209 HydrophobicContact CE1-CB 4.29Å
210N89.4Confident92.9Very high40 Ų4034.9 Ų34.921%0.21418%0.184CC..THydrogen-bonded Turntrans-88.4-14.4176.5-52.9-72.8000113.1R194 I195 D208 M255R194-N210 WeakPolarHBondContact CB-O 3.33Å; R194-N210 PolarHBondContact N-O 3.25Å; I195-N210 HydrophobicContact CD1-CB 4.28Å; D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 WeakPolarHBondContact OD1-CA 3.47Å; D208-N210 WeakPolarHBondContact OD1-CB 3.24Å; D208-N210 PolarHBondContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 2.99Å; N210-M255 WeakPolarHBondContact OD1-CE 3.44Å
211V92.8Very high92.9Very high6 Ų636.3 Ų36.34%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-125.892.1177.7-176.70000108.3H191 Y192 D193 A200 L203 V204 D208H191-V211 HydrophobicContact CB-CG1 4.2Å; Y192-V211 WeakPolarHBondContact O-CA 3.49Å; D193-V211 HydrophobicContact CB-CG2 4.46Å; A200-V211 HydrophobicContact CB-CG2 3.95Å; L203-V211 HydrophobicContact CB-CB 4.15Å; L203-V211 HydrophobicContact CB-CG2 3.73Å; L203-V211 HydrophobicContact CD1-CG2 3.96Å; V204-V211 HydrophobicContact CG2-CG1 4.11Å; D208-V211 CarbonylContact O-C 3.59Å; D208-V211 PolarHBondContact O-N 3.38Å; D208-V211 VanDerWaalsContact O-O 3.08Å
212L92Very high92.8Very high9 Ų936.6 Ų36.65%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-98.4130-172-65.7-179.6000111.5H191 Y192 R194 I214H191-L212 CarbonylContact C-O 3.52Å; H191-L212 VanDerWaalsContact CA-O 3.26Å; H191-L212 WeakPolarHBondContact CA-O 3.34Å; Y192-L212 PolarHBondContact N-O 2.98Å; Y192-L212 PolarHBondContact O-N 2.88Å; Y192-L212 VanDerWaalsContact O-N 3.08Å; R194-L212 VanDerWaalsContact CZ-CD1 3.48Å; L212-I214 HydrophobicContact CB-CG2 4.42Å; L212-I214 PolarHBondContact O-N 3.43Å
213E94.3Very high92.6Very high54 Ų5431 Ų3125%0.25216%0.162SC..EExtended strand (participates in β ladder)trans-64.4116.7160.6-177.1-136.1155.400108.7E189 R246E189-E213 HydrophobicContact CB-CG 4.25Å; E213-R246 WeakPolarHBondContact O-CD 3.45Å; E213-R246 PolarHBondContact O-NH1 2.88Å; E213-R246 IonicContact OE2-NH1 2.66Å; E213-R246 PolarHBondContact OE2-NH1 3.24Å; E213-R246 VanDerWaalsContact OE2-NH1 3.08Å
214I94.6Very high92.2Very high2 Ų230.5 Ų30.51%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-106.2-24.2-179.156168.6000112.5L122 L133 I190 L212 M242 V250L122-I214 HydrophobicContact CD1-CD1 4.06Å; L122-I214 HydrophobicContact CD2-CD1 3.95Å; L133-I214 HydrophobicContact CD2-CD1 4.34Å; I190-I214 HydrophobicContact CG2-CD1 4.49Å; I190-I214 HydrophobicContact CG2-CG1 4.37Å; I190-I214 VanDerWaalsContact O-CG1 3.31Å; I190-I214 WeakPolarHBondContact O-CG1 3.32Å; I190-I214 PolarHBondContact O-N 2.98Å; L212-I214 HydrophobicContact CB-CG2 4.42Å; L212-I214 PolarHBondContact O-N 3.43Å; I214-M242 WeakPolarHBondContact O-CA 3.44Å; I214-M242 VanDerWaalsContact O-CG 3.23Å; I214-M242 WeakPolarHBondContact O-CG 3.17Å; I214-V250 HydrophobicContact CG2-CG2 4.12Å
215W96.9Very high91.3Very high2 Ų232.5 Ų32.51%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-152.4134.7-177.6-158.1-6.2000111.5F14 F18 A118 L121 L122 E189 I190 L217 T240 G241 M242F14-W215 HydrophobicContact CE2-CH2 4.38Å; F14-W215 HydrophobicContact CE2-CZ2 4.09Å; F18-W215 HydrophobicContact CE2-CH2 4.16Å; F18-W215 HydrophobicContact CE2-CZ2 4.24Å; F18-W215 AromaticContact CZ-CH2 3.89Å; F18-W215 HydrophobicContact CZ-CH2 3.89Å; F18-W215 AromaticContact CZ-CZ2 3.94Å; F18-W215 HydrophobicContact CZ-CZ2 3.94Å; A118-W215 HydrophobicContact CB-CD2 4.44Å; A118-W215 HydrophobicContact CB-CE3 3.79Å; A118-W215 HydrophobicContact CB-CH2 3.94Å; A118-W215 HydrophobicContact CB-CZ3 3.55Å; L121-W215 HydrophobicContact CB-CH2 4.45Å; L121-W215 HydrophobicContact CB-CZ3 4.3Å; L121-W215 HydrophobicContact CD2-CH2 3.59Å; L121-W215 HydrophobicContact CD2-CZ3 3.9Å; L121-W215 HydrophobicContact CG-CZ3 4.49Å; L122-W215 HydrophobicContact CD1-CE3 4.08Å; L122-W215 HydrophobicContact CD2-CE3 4.35Å; L122-W215 HydrophobicContact CG-CE3 4.14Å; L122-W215 HydrophobicContact CG-CZ3 4.21Å; E189-W215 CarbonylContact C-O 3.04Å; E189-W215 WeakPolarHBondContact CA-O 3.38Å; I190-W215 HydrophobicContact CB-CB 4.25Å; I190-W215 HydrophobicContact CD1-CB 4.32Å; I190-W215 HydrophobicContact CD1-CE3 4.17Å; I190-W215 HydrophobicContact CG1-CB 4.46Å; I190-W215 PolarHBondContact N-O 3.38Å; I190-W215 PolarHBondContact O-N 2.88Å; W215-L217 HydrophobicContact CD2-CD2 4Å; W215-L217 HydrophobicContact CG-CD2 4.13Å; W215-L217 HydrophobicContact CZ2-CD2 4.39Å; W215-T240 VanDerWaalsContact NE1-CB 3.28Å; W215-T240 PolarHBondContact NE1-OG1 3.26Å; W215-G241 VanDerWaalsContact CD1-C 3.49Å; W215-M242 HydrophobicContact CB-CB 4.29Å; W215-M242 HydrophobicContact CB-CE 4.19Å; W215-M242 HydrophobicContact CD2-CB 4.18Å; W215-M242 HydrophobicContact CD2-CE 3.15Å; W215-M242 HydrophobicContact CE3-CE 2.97Å; W215-M242 HydrophobicContact CG-CB 3.8Å; W215-M242 HydrophobicContact CG-CE 3.75Å; W215-M242 HydrophobicContact CG-CG 4.42Å; W215-M242 HydrophobicContact CH2-CE 3.73Å; W215-M242 HydrophobicContact CZ2-CE 3.92Å; W215-M242 HydrophobicContact CZ3-CE 3.24Å
216N97.1Very high90.4Very high15 Ų1532.7 Ų32.78%0.0817%0.172CC..EExtended strand (participates in β ladder)trans-112130.4169.5-164-16.1000111C187 E189 T240 G241C187-N216 WeakPolarHBondContact CB-OD1 3.43Å; C187-N216 PolarHBondContact SG-OD1 3.14Å; E189-N216 HydrophobicContact CG-CB 4.42Å; N216-T240 VanDerWaalsContact O-CA 3.32Å; N216-T240 WeakPolarHBondContact O-CA 3.26Å; N216-G241 PolarHBondContact N-O 2.9Å; N216-G241 PolarHBondContact O-N 3.04Å
217L98.1Very high89Confident0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-109.499.9176.8-50.8-176.8000109.5A118 W156 C187 S188 I190 W215 F219 T240A118-L217 HydrophobicContact CB-CD1 3.85Å; A118-L217 HydrophobicContact CB-CD2 4.13Å; W156-L217 HydrophobicContact CH2-CD1 4.36Å; W156-L217 HydrophobicContact CZ2-CD1 3.95Å; C187-L217 CarbonylContact C-O 3.54Å; C187-L217 WeakPolarHBondContact CA-O 3.41Å; C187-L217 VanDerWaalsContact CB-O 3.24Å; C187-L217 WeakPolarHBondContact CB-O 3.38Å; S188-L217 PolarHBondContact N-O 2.86Å; S188-L217 PolarHBondContact O-N 2.88Å; I190-L217 HydrophobicContact CD1-CD1 4.37Å; W215-L217 HydrophobicContact CD2-CD2 4Å; W215-L217 HydrophobicContact CG-CD2 4.13Å; W215-L217 HydrophobicContact CZ2-CD2 4.39Å; L217-F219 HydrophobicContact CB-CE1 4.19Å; L217-F219 HydrophobicContact CB-CZ 4.43Å; L217-T240 HydrophobicContact CD2-CG2 3.57Å
218V97.8Very high88.4Confident4 Ų435 Ų352%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-91125.9-178.2-173.60000110.9W176 C187 I220 D239W176-V218 HydrophobicContact CB-CB 4.42Å; W176-V218 HydrophobicContact CB-CG1 3.83Å; W176-V218 HydrophobicContact CB-CG2 3.66Å; W176-V218 HydrophobicContact CD2-CG1 4.44Å; W176-V218 HydrophobicContact CD2-CG2 4.02Å; W176-V218 HydrophobicContact CE3-CG1 4.13Å; W176-V218 HydrophobicContact CE3-CG2 4.4Å; W176-V218 HydrophobicContact CG-CG1 4.36Å; W176-V218 HydrophobicContact CG-CG2 3.69Å; C187-V218 HydrophobicContact CB-CB 4.14Å; C187-V218 HydrophobicContact CB-CG1 4.38Å; C187-V218 HydrophobicContact CB-CG2 3.85Å; V218-I220 HydrophobicContact CG1-CG1 3.9Å; V218-I220 PolarHBondContact O-N 3.15Å; V218-D239 WeakPolarHBondContact CA-O 3.16Å; V218-D239 HydrophobicContact CB-CB 4.2Å; V218-D239 WeakPolarHBondContact CB-O 3.47Å; V218-D239 PolarHBondContact N-O 2.91Å; V218-D239 PolarHBondContact O-N 3Å
219F97.2Very high88Confident0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-95.575.3179.2-49.7-45.6000109.7F110 K111 C152 P186 L217 Q221 I238F110-F219 HydrophobicContact CE2-CB 3.83Å; F110-F219 HydrophobicContact CZ-CB 3.63Å; F110-F219 HydrophobicContact CZ-CG 4.46Å; K111-F219 HydrophobicContact CB-CE1 4.21Å; K111-F219 HydrophobicContact CB-CZ 4.48Å; K111-F219 HydrophobicContact CD-CD2 4.25Å; K111-F219 HydrophobicContact CD-CE2 4.36Å; K111-F219 HydrophobicContact CD-CG 4.38Å; K111-F219 HydrophobicContact CG-CD1 3.57Å; K111-F219 HydrophobicContact CG-CD2 4.01Å; K111-F219 HydrophobicContact CG-CE1 3.64Å; K111-F219 HydrophobicContact CG-CE2 4.07Å; K111-F219 HydrophobicContact CG-CG 3.76Å; K111-F219 HydrophobicContact CG-CZ 3.9Å; C152-F219 HydrophobicContact CB-CE2 4.03Å; P186-F219 HydrophobicContact CG-CB 4.33Å; P186-F219 HydrophobicContact CG-CD2 4.45Å; P186-F219 WeakPolarHBondContact O-CA 3.34Å; P186-F219 VanDerWaalsContact O-CB 3.27Å; P186-F219 WeakPolarHBondContact O-CB 3.29Å; P186-F219 WeakPolarHBondContact O-CD2 3.29Å; P186-F219 PolarHBondContact O-N 3.02Å; L217-F219 HydrophobicContact CB-CE1 4.19Å; L217-F219 HydrophobicContact CB-CZ 4.43Å; F219-Q221 PolarHBondContact O-N 2.66Å; F219-Q221 VanDerWaalsContact O-N 3.08Å; F219-I238 HydrophobicContact CD1-CD1 3.63Å; F219-I238 HydrophobicContact CE1-CD1 4.23Å
220I95.6Very high88.3Confident0 Ų036.5 Ų36.50%019%0.188CC..EExtended strand (participates in β ladder)trans-59.9114.6-177-64.4-172.7000110M46 F53 P183 V218 L233 S237 D239M46-I220 HydrophobicContact CE-CD1 3.89Å; F53-I220 HydrophobicContact CD1-CD1 4.07Å; F53-I220 HydrophobicContact CD1-CG2 4.26Å; F53-I220 HydrophobicContact CD2-CD1 4.3Å; F53-I220 HydrophobicContact CE1-CD1 3.87Å; F53-I220 HydrophobicContact CE2-CD1 4.12Å; F53-I220 HydrophobicContact CG-CD1 4.28Å; F53-I220 HydrophobicContact CZ-CD1 3.89Å; P183-I220 HydrophobicContact CB-CD1 4.42Å; P183-I220 HydrophobicContact CB-CG2 3.94Å; V218-I220 HydrophobicContact CG1-CG1 3.9Å; V218-I220 PolarHBondContact O-N 3.15Å; I220-L233 HydrophobicContact CG2-CD1 3.41Å; I220-L233 VanDerWaalsContact CG2-CD1 3.41Å; I220-S237 PolarHBondContact N-O 2.98Å; I220-S237 PolarHBondContact O-N 2.78Å; I220-D239 HydrophobicContact CD1-CB 3.47Å; I220-D239 VanDerWaalsContact CD1-CB 3.47Å; I220-D239 HydrophobicContact CG1-CB 3.99Å
221Q94.3Very high88.2Confident31 Ų3137.1 Ų37.115%0.14519%0.188CC..EExtended strand (participates in β ladder)trans-147.8-2.9-178.667.8-176.41.300113.6C184 P186 F219 P232 L233 K236C184-Q221 PolarHBondContact O-N 3.49Å; C184-Q221 VanDerWaalsContact O-N 3.16Å; P186-Q221 VanDerWaalsContact CD-NE2 3.29Å; F219-Q221 PolarHBondContact O-N 2.66Å; F219-Q221 VanDerWaalsContact O-N 3.08Å; Q221-P232 WeakPolarHBondContact O-CA 3.32Å; Q221-L233 PolarHBondContact O-N 3.08Å; Q221-K236 HydrophobicContact CB-CG 4.11Å
222F93.1Very high88.1Confident38 Ų3841.7 Ų41.717%0.16722%0.218CC..EExtended strand (participates in β ladder)trans-129.7158.9176.8-57.6-67.1000111.4L146 F175 P183 C184 L230 K231 P232 L233L146-F222 HydrophobicContact CD2-CE2 4.07Å; L146-F222 HydrophobicContact CD2-CZ 4.21Å; F175-F222 HydrophobicContact CE2-CD2 4.26Å; F175-F222 HydrophobicContact CE2-CE2 4.45Å; F175-F222 HydrophobicContact CZ-CD2 4.23Å; P183-F222 CarbonylContact C-O 3.57Å; P183-F222 WeakPolarHBondContact CA-O 3.03Å; C184-F222 PolarHBondContact N-O 2.82Å; C184-F222 PolarHBondContact O-N 3.48Å; C184-F222 VanDerWaalsContact O-O 3.08Å; F222-L230 HydrophobicContact CB-CD2 4.34Å; F222-K231 CarbonylContact C-O 3.47Å; F222-K231 VanDerWaalsContact CA-O 3.22Å; F222-K231 WeakPolarHBondContact CA-O 3.44Å; F222-P232 HydrophobicContact CD1-CG 4.44Å; F222-P232 HydrophobicContact CE1-CG 4.38Å; F222-L233 VanDerWaalsContact O-CD1 3.28Å; F222-L233 WeakPolarHBondContact O-CD1 3.29Å
223N89.4Confident88Confident12 Ų1242.4 Ų42.46%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-120128.9165.7-177.755.5000108.7L54 G182 K231 L233L54-N223 HydrophobicContact CD2-CB 4.5Å; L54-N223 VanDerWaalsContact CD2-OD1 3.26Å; L54-N223 WeakPolarHBondContact CD2-OD1 3.32Å; G182-N223 VanDerWaalsContact CA-OD1 3.25Å; G182-N223 WeakPolarHBondContact CA-OD1 3.41Å; G182-N223 WeakPolarHBondContact O-CA 3.31Å; G182-N223 PolarHBondContact O-OD1 2.91Å; N223-K231 PolarHBondContact N-O 3.06Å; N223-K231 PolarHBondContact O-N 3.25Å; N223-L233 HydrophobicContact CB-CD2 3.93Å; N223-L233 HydrophobicContact CB-CG 4.32Å
224R86.4Confident87.5Confident17 Ų1744 Ų446%0.06424%0.238CC..EExtended strand (participates in β ladder)trans-90.6122.1176-174.8175.9-71.1-81.29.9109.6E177 D180 T181 G182 S226 E227 L230E177-R224 IonicContact OE1-CZ 2.68Å; E177-R224 IonicContact OE1-NE 2.67Å; E177-R224 PolarHBondContact OE1-NE 3.27Å; E177-R224 IonicContact OE1-NH2 3.03Å; E177-R224 PolarHBondContact OE1-NH2 3.3Å; E177-R224 IonicContact OE2-NE 3.66Å; D180-R224 VanDerWaalsContact O-CD 3.32Å; D180-R224 WeakPolarHBondContact O-CD 3.36Å; T181-R224 CarbonylContact C-O 3.58Å; T181-R224 VanDerWaalsContact CA-O 3.23Å; T181-R224 WeakPolarHBondContact CA-O 3.49Å; T181-R224 VanDerWaalsContact CB-O 3.3Å; T181-R224 WeakPolarHBondContact CB-O 3.44Å; G182-R224 PolarHBondContact N-O 3.38Å; G182-R224 PolarHBondContact O-N 2.94Å; R224-S226 WeakPolarHBondContact CG-O 3.27Å; R224-E227 PolarHBondContact NH1-O 2.95Å; R224-L230 HydrophobicContact CB-CD2 4.03Å; R224-L230 HydrophobicContact CG-CD2 4.35Å
225E76.3Confident87.2Confident57 Ų5750.1 Ų50.127%0.26626%0.264SS..SBendtrans-92.7-36.3-178.6-53.5-110.498.300112.1T181 E229 K231 Y468T181-E225 WeakPolarHBondContact CG2-O 3.26Å; E225-E229 HydrophobicContact CB-CB 4.35Å; E225-E229 HydrophobicContact CG-CG 4.34Å; E225-E229 PolarHBondContact N-O 3.37Å; E225-E229 VanDerWaalsContact N-O 3.13Å; E225-K231 HydrophobicContact CG-CG 3.99Å; E225-K231 WeakPolarHBondContact OE2-CE 3.37Å; E225-K231 IonicContact OE2-NZ 3.52Å; E225-K231 PolarHBondContact OE2-NZ 3.16Å; E225-Y468 VanDerWaalsContact CD-CZ 3.43Å; E225-Y468 WeakPolarHBondContact OE1-CE2 3.36Å; E225-Y468 PolarHBondContact OE1-OH 2.97Å; E225-Y468 WeakPolarHBondContact OE2-CE2 3.3Å; E225-Y468 PolarHBondContact OE2-OH 3.14Å
226S71Confident87Confident47 Ų4755.3 Ų55.333%0.32929%0.286SS..SBendtrans-155.6173.8-175.764.10000108.4R224 T228 E229R224-S226 WeakPolarHBondContact CG-O 3.27Å; S226-T228 PolarHBondContact O-N 3.43Å; S226-E229 PolarHBondContact O-N 3.19Å
227E61.7Low87Confident172 Ų17254.8 Ų54.880%0.80428%0.284SS*.SBendtrans-53.3-26.3-178.8-69-169.2163.400113.7R224R224-E227 PolarHBondContact NH1-O 2.95Å
228T67.9Low86.9Confident132 Ų13254.8 Ų54.881%0.8128%0.284SS*.SBendtrans-111-17.1-172.853.60000115.4S226S226-T228 PolarHBondContact O-N 3.43Å
229E80.1Confident86.9Confident87 Ų8754.8 Ų54.841%0.40728%0.284SS..  trans-111.1119.6-169.7-169.2174.1-174.700112.8E225 S226 K231E225-E229 HydrophobicContact CB-CB 4.35Å; E225-E229 HydrophobicContact CG-CG 4.34Å; E225-E229 PolarHBondContact N-O 3.37Å; E225-E229 VanDerWaalsContact N-O 3.13Å; S226-E229 PolarHBondContact O-N 3.19Å; E229-K231 HydrophobicContact CG-CG 4.41Å; E229-K231 WeakPolarHBondContact OE1-CE 3.45Å; E229-K231 IonicContact OE1-NZ 3.51Å
230L87.7Confident86.9Confident41 Ų4154.9 Ų54.922%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-111.8120.2175-69174.2000110.1L146 F175 F222 R224L146-L230 HydrophobicContact CD1-CD1 4.1Å; L146-L230 HydrophobicContact CD2-CD1 4.2Å; F175-L230 HydrophobicContact CZ-CD1 3.87Å; F175-L230 HydrophobicContact CZ-CD2 4.29Å; F222-L230 HydrophobicContact CB-CD2 4.34Å; R224-L230 HydrophobicContact CB-CD2 4.03Å; R224-L230 HydrophobicContact CG-CD2 4.35Å
231K88.1Confident86.9Confident53 Ų5355.5 Ų55.523%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-107.4133.2176.2-60.1-131.2-171.5117.40111F222 N223 E225 E229 Y468F222-K231 CarbonylContact C-O 3.47Å; F222-K231 VanDerWaalsContact CA-O 3.22Å; F222-K231 WeakPolarHBondContact CA-O 3.44Å; N223-K231 PolarHBondContact N-O 3.06Å; N223-K231 PolarHBondContact O-N 3.25Å; E225-K231 HydrophobicContact CG-CG 3.99Å; E225-K231 WeakPolarHBondContact OE2-CE 3.37Å; E225-K231 IonicContact OE2-NZ 3.52Å; E225-K231 PolarHBondContact OE2-NZ 3.16Å; E229-K231 HydrophobicContact CG-CG 4.41Å; E229-K231 WeakPolarHBondContact OE1-CE 3.45Å; E229-K231 IonicContact OE1-NZ 3.51Å; K231-Y468 HydrophobicContact CD-CE1 3.53Å; K231-Y468 HydrophobicContact CD-CE2 4.44Å; K231-Y468 VanDerWaalsContact CD-CZ 3.5Å; K231-Y468 VanDerWaalsContact CD-OH 3.22Å; K231-Y468 WeakPolarHBondContact CD-OH 3.23Å; K231-Y468 HydrophobicContact CG-CE1 4.43Å; K231-Y468 VanDerWaalsContact CG-OH 3.32Å; K231-Y468 WeakPolarHBondContact CG-OH 3.31Å; K231-Y468 PolarHBondContact NZ-OH 2.92Å
232P90.3Very high87Confident102 Ų10254 Ų5466%0.66228%0.284SS*.EExtended strand (participates in β ladder)trans-60.1137.5175-23.333.7000112.2Q221 F222Q221-P232 WeakPolarHBondContact O-CA 3.32Å; F222-P232 HydrophobicContact CD1-CG 4.44Å; F222-P232 HydrophobicContact CE1-CG 4.38Å
233L89.5Confident87.1Confident24 Ų2453 Ų5313%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-79.8144173.2-76169.3000111P183 I220 Q221 F222 N223 K235P183-L233 HydrophobicContact CB-CD1 4.35Å; I220-L233 HydrophobicContact CG2-CD1 3.41Å; I220-L233 VanDerWaalsContact CG2-CD1 3.41Å; Q221-L233 PolarHBondContact O-N 3.08Å; F222-L233 VanDerWaalsContact O-CD1 3.28Å; F222-L233 WeakPolarHBondContact O-CD1 3.29Å; N223-L233 HydrophobicContact CB-CD2 3.93Å; N223-L233 HydrophobicContact CB-CG 4.32Å; L233-K235 PolarHBondContact O-N 3.41Å
234P83.3Confident87.5Confident89 Ų8952.4 Ų52.458%0.57828%0.281SS*.EExtended strand (participates in β ladder)trans-60.5-29.5179-2533.6000114
235K88.6Confident88Confident129 Ų12951.7 Ų51.756%0.56128%0.279SS*.EExtended strand (participates in β ladder)trans-126.6124.8177.7-64.8-178.1-177.6175.10109.9L233 S237L233-K235 PolarHBondContact O-N 3.41Å; K235-S237 PolarHBondContact O-OG 3.49Å
236K93.9Very high88.9Confident111 Ų11151.4 Ų51.448%0.48328%0.275SS..EExtended strand (participates in β ladder)trans-70.5134.4169.1-65.5-173.8178.3-171.20109.7G107 F110 Q221G107-K236 VanDerWaalsContact CA-O 3.31Å; G107-K236 WeakPolarHBondContact CA-O 3.44Å; G107-K236 PolarHBondContact N-O 3.35Å; F110-K236 HydrophobicContact CD1-CD 4.21Å; F110-K236 HydrophobicContact CD2-CB 3.86Å; F110-K236 HydrophobicContact CE1-CB 4.5Å; F110-K236 HydrophobicContact CE1-CD 3.77Å; F110-K236 HydrophobicContact CE2-CB 3.72Å; F110-K236 HydrophobicContact CE2-CD 4.4Å; F110-K236 HydrophobicContact CE2-CG 4.46Å; F110-K236 HydrophobicContact CG-CB 4.32Å; F110-K236 HydrophobicContact CZ-CB 4.05Å; F110-K236 HydrophobicContact CZ-CD 3.87Å; F110-K236 HydrophobicContact CZ-CG 4.31Å; Q221-K236 HydrophobicContact CB-CG 4.11Å
237S96.1Very high90.1Very high4 Ų449.2 Ų49.23%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-135161.5-170.8-64.20000110.3S105 F110 I220 K235S105-S237 VanDerWaalsContact O-CA 3.26Å; S105-S237 WeakPolarHBondContact O-CA 3.28Å; S105-S237 WeakPolarHBondContact O-CB 3.37Å; S105-S237 PolarHBondContact O-OG 3.18Å; F110-S237 WeakPolarHBondContact CE2-O 3.17Å; I220-S237 PolarHBondContact N-O 2.98Å; I220-S237 PolarHBondContact O-N 2.78Å; K235-S237 PolarHBondContact O-OG 3.49Å
238I97.6Very high91.8Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-113.5135.3175.1-63-66.4000108.6W104 S105 Y109 F110 A114 F219 T240W104-I238 VanDerWaalsContact CA-O 3.28Å; W104-I238 WeakPolarHBondContact CA-O 3.49Å; S105-I238 PolarHBondContact N-O 2.89Å; S105-I238 PolarHBondContact O-N 3.23Å; Y109-I238 HydrophobicContact CD2-CG1 4.02Å; Y109-I238 HydrophobicContact CE2-CB 4.06Å; Y109-I238 HydrophobicContact CE2-CG1 3.81Å; Y109-I238 HydrophobicContact CE2-CG2 4.22Å; F110-I238 HydrophobicContact CD2-CD1 3.6Å; F110-I238 HydrophobicContact CD2-CG1 4.12Å; F110-I238 HydrophobicContact CE2-CD1 4.07Å; F110-I238 HydrophobicContact CG-CD1 4.31Å; A114-I238 HydrophobicContact CB-CD1 3.96Å; A114-I238 HydrophobicContact CB-CG1 4.15Å; A114-I238 HydrophobicContact CB-CG2 4.11Å; F219-I238 HydrophobicContact CD1-CD1 3.63Å; F219-I238 HydrophobicContact CE1-CD1 4.23Å; I238-T240 HydrophobicContact CG2-CG2 3.54Å
239D96.8Very high93.1Very high5 Ų534.7 Ų34.73%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-126.5124.6166.3169.434.8000107.9M46 F53 W104 V218 I220M46-D239 HydrophobicContact CB-CB 4.39Å; M46-D239 WeakPolarHBondContact CB-OD2 3.49Å; M46-D239 WeakPolarHBondContact CG-OD2 3.43Å; F53-D239 HydrophobicContact CZ-CB 4.44Å; W104-D239 PolarHBondContact NE1-OD1 3.34Å; V218-D239 WeakPolarHBondContact CA-O 3.16Å; V218-D239 HydrophobicContact CB-CB 4.2Å; V218-D239 WeakPolarHBondContact CB-O 3.47Å; V218-D239 PolarHBondContact N-O 2.91Å; V218-D239 PolarHBondContact O-N 3Å; I220-D239 HydrophobicContact CD1-CB 3.47Å; I220-D239 VanDerWaalsContact CD1-CB 3.47Å; I220-D239 HydrophobicContact CG1-CB 3.99Å
240T96.8Very high93.8Very high1 Ų130.6 Ų30.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-120.9142.8175.682.40000110.2G102 S103 W215 N216 L217 I238G102-T240 WeakPolarHBondContact CA-O 3.22Å; S103-T240 PolarHBondContact N-OG1 3.36Å; S103-T240 PolarHBondContact O-N 2.96Å; S103-T240 PolarHBondContact O-OG1 3.12Å; S103-T240 WeakPolarHBondContact OG-CG2 3.46Å; S103-T240 PolarHBondContact OG-OG1 2.66Å; W215-T240 VanDerWaalsContact NE1-CB 3.28Å; W215-T240 PolarHBondContact NE1-OG1 3.26Å; N216-T240 VanDerWaalsContact O-CA 3.32Å; N216-T240 WeakPolarHBondContact O-CA 3.26Å; L217-T240 HydrophobicContact CD2-CG2 3.57Å; I238-T240 HydrophobicContact CG2-CG2 3.54Å
241G95.7Very high94.2Very high14 Ų1428.8 Ų28.814%0.14415%0.154CC..EExtended strand (participates in β ladder)trans-135.7109.5179.100000111.3W215 N216W215-G241 VanDerWaalsContact CD1-C 3.49Å; N216-G241 PolarHBondContact N-O 2.9Å; N216-G241 PolarHBondContact O-N 3.04Å
242M96.9Very high94.5Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-113.4122.3174.9173.9-171.4-63.800109F14 L101 L121 L122 I214 W215 L244 L247F14-M242 HydrophobicContact CD2-SD 4.24Å; F14-M242 HydrophobicContact CE2-CE 4.42Å; F14-M242 HydrophobicContact CE2-SD 4.34Å; L101-M242 HydrophobicContact CB-CB 4.13Å; L101-M242 HydrophobicContact CD1-CG 4.46Å; L101-M242 HydrophobicContact CD1-SD 3.95Å; L101-M242 PolarHBondContact N-O 3.14Å; L101-M242 PolarHBondContact O-N 2.95Å; L121-M242 HydrophobicContact CD2-CE 4.45Å; L122-M242 HydrophobicContact CD2-CE 4Å; I214-M242 WeakPolarHBondContact O-CA 3.44Å; I214-M242 VanDerWaalsContact O-CG 3.23Å; I214-M242 WeakPolarHBondContact O-CG 3.17Å; W215-M242 HydrophobicContact CB-CB 4.29Å; W215-M242 HydrophobicContact CB-CE 4.19Å; W215-M242 HydrophobicContact CD2-CB 4.18Å; W215-M242 HydrophobicContact CD2-CE 3.15Å; W215-M242 HydrophobicContact CE3-CE 2.97Å; W215-M242 HydrophobicContact CG-CB 3.8Å; W215-M242 HydrophobicContact CG-CE 3.75Å; W215-M242 HydrophobicContact CG-CG 4.42Å; W215-M242 HydrophobicContact CH2-CE 3.73Å; W215-M242 HydrophobicContact CZ2-CE 3.92Å; W215-M242 HydrophobicContact CZ3-CE 3.24Å; M242-L244 PolarHBondContact O-N 3.35Å; M242-L247 HydrophobicContact CG-CB 4.49Å; M242-L247 HydrophobicContact SD-CB 4.3Å; M242-L247 HydrophobicContact SD-CD1 4.28Å; M242-L247 HydrophobicContact SD-CD2 3.6Å; M242-L247 VanDerWaalsContact SD-CD2 3.6Å; M242-L247 HydrophobicContact SD-CG 4.25Å
243G95.6Very high94.7Very high16 Ų1628.3 Ų28.317%0.16515%0.147CC..EExtended strand (participates in β ladder)trans-73.6114.6176.600000111E245 R246 L247G243-E245 VanDerWaalsContact C-N 3.29Å; G243-E245 PolarHBondContact O-N 3.27Å; G243-R246 PolarHBondContact O-N 3.27Å; G243-L247 PolarHBondContact O-N 2.88Å
244L97.3Very high94.8Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-56.1-45.8-179.7177.866.1000111I10 R11 E99 L101 M242 R246 L247 V248I10-L244 HydrophobicContact CG2-CD1 4.11Å; R11-L244 HydrophobicContact CB-CD1 4.34Å; E99-L244 HydrophobicContact CB-CB 3.82Å; E99-L244 HydrophobicContact CB-CD2 3.88Å; E99-L244 HydrophobicContact CG-CD2 4.32Å; E99-L244 PolarHBondContact O-N 3.09Å; E99-L244 WeakPolarHBondContact OE1-CD2 3.31Å; L101-L244 HydrophobicContact CD1-CB 4.37Å; L101-L244 HydrophobicContact CD1-CD1 3.84Å; L101-L244 HydrophobicContact CD2-CD1 4.38Å; L101-L244 HydrophobicContact CG-CB 4.14Å; L101-L244 HydrophobicContact CG-CD1 4.3Å; M242-L244 PolarHBondContact O-N 3.35Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 3.36Å; L244-L247 PolarHBondContact O-N 3.26Å; L244-V248 HydrophobicContact CD1-CG2 3.76Å; L244-V248 HydrophobicContact CG-CG2 4.03Å; L244-V248 WeakPolarHBondContact O-CB 3.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.35Å; L244-V248 PolarHBondContact O-N 3.18Å
245E96.4Very high95.2Very high2 Ų232 Ų321%0.00916%0.156CC..Hα-helixtrans-56.9-41.3-179.2-73.772.8-173.200112.2F98 E99 G243 S249 N257 L262 F263 R303F98-E245 WeakPolarHBondContact CB-OE2 3.39Å; E99-E245 PolarHBondContact N-OE1 3.3Å; E99-E245 PolarHBondContact N-OE2 2.97Å; E99-E245 VanDerWaalsContact N-OE2 3.14Å; G243-E245 VanDerWaalsContact C-N 3.29Å; G243-E245 PolarHBondContact O-N 3.27Å; E245-S249 PolarHBondContact O-N 2.84Å; E245-S249 PolarHBondContact O-OG 2.87Å; E245-N257 HydrophobicContact CB-CB 4.35Å; E245-N257 PolarHBondContact O-OD1 3Å; E245-L262 HydrophobicContact CB-CD1 4.46Å; E245-L262 HydrophobicContact CG-CD1 4.04Å; E245-F263 HydrophobicContact CG-CE2 4.17Å; E245-F263 HydrophobicContact CG-CZ 4.48Å; E245-R303 IonicContact OE1-CZ 3.63Å; E245-R303 IonicContact OE1-NH1 2.68Å; E245-R303 PolarHBondContact OE1-NH1 2.99Å; E245-R303 VanDerWaalsContact OE1-NH1 3.08Å; E245-R303 IonicContact OE1-NH2 2.8Å; E245-R303 PolarHBondContact OE1-NH2 3.05Å
246R95.3Very high95.3Very high51 Ų5126 Ų2619%0.19213%0.131CC..Hα-helixtrans-71.5-43.9177.6-69-172.7179.9173.4-0.4111.1E213 G243 L244 V248 S249 V250E213-R246 WeakPolarHBondContact O-CD 3.45Å; E213-R246 PolarHBondContact O-NH1 2.88Å; E213-R246 IonicContact OE2-NH1 2.66Å; E213-R246 PolarHBondContact OE2-NH1 3.24Å; E213-R246 VanDerWaalsContact OE2-NH1 3.08Å; G243-R246 PolarHBondContact O-N 3.27Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 3.36Å; R246-V248 PolarHBondContact O-N 3.5Å; R246-S249 PolarHBondContact O-N 3.03Å; R246-S249 PolarHBondContact O-OG 3.47Å; R246-V250 WeakPolarHBondContact O-CG2 3.41Å; R246-V250 PolarHBondContact O-N 3.24Å; R246-V250 VanDerWaalsContact O-N 3.14Å
247L96.4Very high95.3Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-60.9-46.8177.4179.370.9000111.2I10 L101 L122 F126 I128 M242 G243 L244 S249 V250 L251I10-L247 HydrophobicContact CG2-CD2 3.4Å; I10-L247 VanDerWaalsContact CG2-CD2 3.4Å; I10-L247 HydrophobicContact CG2-CG 4.17Å; L101-L247 HydrophobicContact CD1-CD2 4.26Å; L122-L247 HydrophobicContact CD2-CD1 4.31Å; F126-L247 HydrophobicContact CD2-CD2 4.44Å; F126-L247 HydrophobicContact CE2-CD2 3.85Å; F126-L247 HydrophobicContact CZ-CD2 3.94Å; I128-L247 HydrophobicContact CD1-CD1 4.31Å; M242-L247 HydrophobicContact CG-CB 4.49Å; M242-L247 HydrophobicContact SD-CB 4.3Å; M242-L247 HydrophobicContact SD-CD1 4.28Å; M242-L247 HydrophobicContact SD-CD2 3.6Å; M242-L247 VanDerWaalsContact SD-CD2 3.6Å; M242-L247 HydrophobicContact SD-CG 4.25Å; G243-L247 PolarHBondContact O-N 2.88Å; L244-L247 PolarHBondContact O-N 3.26Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.42Å; L247-V250 WeakPolarHBondContact O-CB 3.29Å; L247-V250 PolarHBondContact O-N 2.92Å; L247-V250 VanDerWaalsContact O-N 3.12Å; L247-L251 HydrophobicContact CD1-CD1 4.02Å; L247-L251 HydrophobicContact CD1-CG 4.11Å; L247-L251 HydrophobicContact CD2-CD1 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.21Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.01Å
248V96.9Very high95.3Very high0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-60.6-42.7-178.6173.10000110.8A7 I10 L244 R246 V250 L251 Q252 T260 L262A7-V248 HydrophobicContact CB-CG1 4.12Å; A7-V248 HydrophobicContact CB-CG2 3.76Å; I10-V248 HydrophobicContact CB-CG2 4.43Å; I10-V248 HydrophobicContact CD1-CB 4.34Å; I10-V248 HydrophobicContact CD1-CG1 4.35Å; I10-V248 HydrophobicContact CD1-CG2 3.83Å; I10-V248 HydrophobicContact CG2-CG2 4.28Å; L244-V248 HydrophobicContact CD1-CG2 3.76Å; L244-V248 HydrophobicContact CG-CG2 4.03Å; L244-V248 WeakPolarHBondContact O-CB 3.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.35Å; L244-V248 PolarHBondContact O-N 3.18Å; R246-V248 PolarHBondContact O-N 3.5Å; V248-V250 VanDerWaalsContact C-N 3.3Å; V248-V250 PolarHBondContact O-N 2.74Å; V248-L251 PolarHBondContact O-N 3.41Å; V248-Q252 HydrophobicContact CG1-CG 4.2Å; V248-Q252 VanDerWaalsContact O-CB 3.31Å; V248-Q252 WeakPolarHBondContact O-CB 3.34Å; V248-Q252 WeakPolarHBondContact O-CG 3.29Å; V248-Q252 PolarHBondContact O-N 2.88Å; V248-T260 HydrophobicContact CG1-CG2 3.89Å; V248-L262 HydrophobicContact CB-CD1 4.11Å; V248-L262 HydrophobicContact CG1-CD1 4.21Å; V248-L262 HydrophobicContact CG2-CD1 4.11Å
249S95.6Very high95.1Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-67.1-30.9177.569.80000112.8R194 E245 R246 L247 N253 K254 N257R194-S249 PolarHBondContact NH1-O 3.49Å; R194-S249 PolarHBondContact NH2-OG 3.05Å; E245-S249 PolarHBondContact O-N 2.84Å; E245-S249 PolarHBondContact O-OG 2.87Å; R246-S249 PolarHBondContact O-N 3.03Å; R246-S249 PolarHBondContact O-OG 3.47Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.42Å; S249-N253 PolarHBondContact O-N 2.99Å; S249-K254 PolarHBondContact O-N 3.25Å; S249-K254 VanDerWaalsContact O-O 3.05Å; S249-N257 WeakPolarHBondContact CB-OD1 3.31Å; S249-N257 PolarHBondContact OG-OD1 3.03Å
250V94.9Very high95.1Very high1 Ų122.9 Ų22.91%0.00612%0.119CC..Hα-helixtrans-66.6-52170.5168.50000111M1 I128 Y192 I214 R246 L247 V248 Q252 N253M1-V250 HydrophobicContact SD-CG1 4.41Å; I128-V250 HydrophobicContact CD1-CG1 4.27Å; Y192-V250 HydrophobicContact CD1-CB 4.3Å; Y192-V250 HydrophobicContact CD1-CG1 3.71Å; Y192-V250 HydrophobicContact CD1-CG2 3.59Å; Y192-V250 HydrophobicContact CD2-CG1 4.34Å; Y192-V250 HydrophobicContact CE1-CB 4.34Å; Y192-V250 HydrophobicContact CE1-CG1 3.56Å; Y192-V250 HydrophobicContact CE1-CG2 4.02Å; Y192-V250 HydrophobicContact CE2-CG1 4.22Å; Y192-V250 HydrophobicContact CG-CG1 4.07Å; Y192-V250 HydrophobicContact CG-CG2 4.28Å; I214-V250 HydrophobicContact CG2-CG2 4.12Å; R246-V250 WeakPolarHBondContact O-CG2 3.41Å; R246-V250 PolarHBondContact O-N 3.24Å; R246-V250 VanDerWaalsContact O-N 3.14Å; L247-V250 WeakPolarHBondContact O-CB 3.29Å; L247-V250 PolarHBondContact O-N 2.92Å; L247-V250 VanDerWaalsContact O-N 3.12Å; V248-V250 VanDerWaalsContact C-N 3.3Å; V248-V250 PolarHBondContact O-N 2.74Å; V250-Q252 PolarHBondContact O-N 3.07Å; V250-N253 PolarHBondContact O-N 3.29Å; V250-N253 VanDerWaalsContact O-N 3.08Å
251L96Very high95Very high3 Ų325.6 Ų25.62%0.01613%0.133CC..Hα-helixtrans-67.6-36.6-175.1-64.1-179.5000113M1 S3 I10 F126 I128 L247 V248 N253M1-L251 HydrophobicContact CG-CD2 4.28Å; M1-L251 HydrophobicContact SD-CD2 4.26Å; S3-L251 WeakPolarHBondContact CA-O 3.44Å; I10-L251 HydrophobicContact CD1-CB 4.08Å; I10-L251 HydrophobicContact CD1-CD1 3.77Å; I10-L251 HydrophobicContact CG1-CD1 3.84Å; I10-L251 HydrophobicContact CG2-CD1 3.95Å; F126-L251 HydrophobicContact CB-CD1 4.3Å; F126-L251 HydrophobicContact CB-CD2 3.81Å; F126-L251 HydrophobicContact CD1-CD1 3.52Å; F126-L251 HydrophobicContact CE1-CD1 3.91Å; F126-L251 HydrophobicContact CG-CD1 3.91Å; F126-L251 HydrophobicContact CG-CD2 4.33Å; I128-L251 HydrophobicContact CD1-CD2 4Å; I128-L251 HydrophobicContact CG1-CD2 3.87Å; L247-L251 HydrophobicContact CD1-CD1 4.02Å; L247-L251 HydrophobicContact CD1-CG 4.11Å; L247-L251 HydrophobicContact CD2-CD1 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.21Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.01Å; V248-L251 PolarHBondContact O-N 3.41Å; L251-N253 PolarHBondContact O-N 3.45Å
252Q95.4Very high95Very high28 Ų2825.7 Ų25.713%0.13113%0.13CC..THydrogen-bonded Turntrans-82.32.8175.1-65.4179.61.900113.3L5 V248 V250 K254 D261L5-Q252 PolarHBondContact O-NE2 3.05Å; V248-Q252 HydrophobicContact CG1-CG 4.2Å; V248-Q252 VanDerWaalsContact O-CB 3.31Å; V248-Q252 WeakPolarHBondContact O-CB 3.34Å; V248-Q252 WeakPolarHBondContact O-CG 3.29Å; V248-Q252 PolarHBondContact O-N 2.88Å; V250-Q252 PolarHBondContact O-N 3.07Å; Q252-K254 HydrophobicContact CB-CG 4Å; Q252-K254 PolarHBondContact O-N 3.01Å; Q252-D261 VanDerWaalsContact NE2-CG 3.25Å; Q252-D261 PolarHBondContact NE2-OD1 3.37Å; Q252-D261 PolarHBondContact OE1-OD1 2.82Å
253N93.1Very high95Very high117 Ų11725.7 Ų25.763%0.62613%0.13SC*.THydrogen-bonded Turntrans54.347.5180-167.442.5000112.9S249 V250 L251S249-N253 PolarHBondContact O-N 2.99Å; V250-N253 PolarHBondContact O-N 3.29Å; V250-N253 VanDerWaalsContact O-N 3.08Å; L251-N253 PolarHBondContact O-N 3.45Å
254K93Very high95Very high86 Ų8627.6 Ų27.637%0.37414%0.139SC..  trans-108.6136.7178.3-61.5-58.3-174.2174.90110.7R194 S249 Q252 S256 D259 T260R194-K254 VanDerWaalsContact CZ-O 3.22Å; R194-K254 PolarHBondContact NH1-O 3.13Å; R194-K254 PolarHBondContact NH2-O 2.82Å; S249-K254 PolarHBondContact O-N 3.25Å; S249-K254 VanDerWaalsContact O-O 3.05Å; Q252-K254 HydrophobicContact CB-CG 4Å; Q252-K254 PolarHBondContact O-N 3.01Å; K254-S256 VanDerWaalsContact C-N 3.34Å; K254-D259 HydrophobicContact CB-CB 4.12Å; K254-D259 HydrophobicContact CD-CB 4.12Å; K254-D259 WeakPolarHBondContact CE-O 3.29Å; K254-D259 HydrophobicContact CG-CB 4.26Å; K254-T260 HydrophobicContact CB-CG2 4.26Å; K254-T260 HydrophobicContact CG-CG2 4.22Å
255M90.3Very high95Very high103 Ų10329.9 Ų29.951%0.50715%0.153SC..SBendtrans-77.5-20.4179.8-65.8-59.6-68.500113.2R194 N210R194-M255 HydrophobicContact CB-SD 4.48Å; N210-M255 WeakPolarHBondContact OD1-CE 3.44Å
256S92.1Very high95Very high4 Ų429.8 Ų29.83%0.02815%0.153CC..SBendtrans-116.7146173.9-179.80000111.4V92 K254 Y258 D259V92-S256 WeakPolarHBondContact CB-OG 3.45Å; V92-S256 PolarHBondContact O-OG 3.46Å; K254-S256 VanDerWaalsContact C-N 3.34Å; S256-Y258 PolarHBondContact O-N 2.97Å; S256-Y258 WeakPolarHBondContact OG-CB 3.4Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.49Å; S256-Y258 PolarHBondContact OG-N 3.1Å; S256-D259 VanDerWaalsContact CB-OD2 3.3Å; S256-D259 WeakPolarHBondContact CB-OD2 3.32Å; S256-D259 PolarHBondContact O-N 2.79Å
257N94.1Very high95.1Very high1 Ų128.1 Ų28.11%0.00515%0.147CC..G310 helixtrans-60.1-33.1166.4-69-8.1000111.3V92 Y93 H95 E245 S249 D259 T260 F263V92-N257 PolarHBondContact O-N 3.34Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.5Å; Y93-N257 PolarHBondContact O-ND2 3.4Å; H95-N257 WeakPolarHBondContact NE2-CB 3.09Å; H95-N257 PolarHBondContact NE2-ND2 3.38Å; E245-N257 HydrophobicContact CB-CB 4.35Å; E245-N257 PolarHBondContact O-OD1 3Å; S249-N257 WeakPolarHBondContact CB-OD1 3.31Å; S249-N257 PolarHBondContact OG-OD1 3.03Å; N257-D259 VanDerWaalsContact C-N 3.28Å; N257-D259 PolarHBondContact O-N 3.47Å; N257-T260 WeakPolarHBondContact O-CB 3.27Å; N257-T260 WeakPolarHBondContact O-CG2 3.26Å; N257-T260 PolarHBondContact O-N 3.31Å; N257-T260 PolarHBondContact O-OG1 3.44Å; N257-F263 VanDerWaalsContact O-CD2 3.22Å; N257-F263 WeakPolarHBondContact O-CD2 3.45Å
258Y94.9Very high95.2Very high0 Ų034 Ų340%018%0.175CC..G310 helixtrans-75-12.4-178.9-62.3-81.2000114.2V92 H94 H95 S256 T260 F263 F267 R296V92-Y258 WeakPolarHBondContact O-CD2 3.49Å; H94-Y258 PolarHBondContact O-OH 3.37Å; H95-Y258 AromaticContact CE1-CE1 3.78Å; H95-Y258 AromaticContact CE1-CE2 3.86Å; H95-Y258 AromaticContact CE1-CZ 3.53Å; H95-Y258 AromaticContact ND1-CE1 3.82Å; H95-Y258 AromaticContact ND1-CZ 3.55Å; H95-Y258 PolarHBondContact ND1-OH 2.92Å; S256-Y258 PolarHBondContact O-N 2.97Å; S256-Y258 WeakPolarHBondContact OG-CB 3.4Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.49Å; S256-Y258 PolarHBondContact OG-N 3.1Å; Y258-T260 VanDerWaalsContact C-N 3.28Å; Y258-F263 AromaticContact CD1-CD1 3.68Å; Y258-F263 HydrophobicContact CD1-CD1 3.68Å; Y258-F263 HydrophobicContact CD1-CD2 4.29Å; Y258-F263 AromaticContact CD1-CE1 3.78Å; Y258-F263 HydrophobicContact CD1-CE1 3.78Å; Y258-F263 HydrophobicContact CD1-CE2 4.37Å; Y258-F263 AromaticContact CD1-CG 3.93Å; Y258-F263 HydrophobicContact CD1-CG 3.93Å; Y258-F263 HydrophobicContact CD1-CZ 4.11Å; Y258-F263 HydrophobicContact CE1-CD1 4.13Å; Y258-F263 AromaticContact CE1-CE1 3.79Å; Y258-F263 HydrophobicContact CE1-CE1 3.79Å; Y258-F263 HydrophobicContact CE1-CZ 4.11Å; Y258-F263 WeakPolarHBondContact O-CB 3.43Å; Y258-F267 HydrophobicContact CD1-CZ 4.1Å; Y258-F267 HydrophobicContact CG-CZ 4.41Å; Y258-F267 VanDerWaalsContact O-CE2 3.31Å; Y258-F267 WeakPolarHBondContact O-CE2 3.33Å; Y258-R296 HydrophobicContact CD1-CB 4.05Å; Y258-R296 HydrophobicContact CD1-CG 3.75Å; Y258-R296 VanDerWaalsContact CD2-CD 3.5Å; Y258-R296 HydrophobicContact CD2-CG 3.86Å; Y258-R296 HydrophobicContact CE1-CB 3.76Å; Y258-R296 HydrophobicContact CE1-CG 3.95Å; Y258-R296 HydrophobicContact CE2-CB 4.35Å; Y258-R296 HydrophobicContact CE2-CG 4.1Å; Y258-R296 HydrophobicContact CG-CB 4.43Å; Y258-R296 HydrophobicContact CG-CG 3.69Å
259D94.2Very high95.2Very high53 Ų5335.3 Ų35.328%0.28319%0.185SC..G310 helixtrans-89.96.4178.4-61.6-22.3000112.9K254 S256 N257 Y279K254-D259 HydrophobicContact CB-CB 4.12Å; K254-D259 HydrophobicContact CD-CB 4.12Å; K254-D259 WeakPolarHBondContact CE-O 3.29Å; K254-D259 HydrophobicContact CG-CB 4.26Å; S256-D259 VanDerWaalsContact CB-OD2 3.3Å; S256-D259 WeakPolarHBondContact CB-OD2 3.32Å; S256-D259 PolarHBondContact O-N 2.79Å; N257-D259 VanDerWaalsContact C-N 3.28Å; N257-D259 PolarHBondContact O-N 3.47Å; D259-Y279 WeakPolarHBondContact OD1-CE1 3.37Å
260T95.7Very high95.3Very high0 Ų035.3 Ų35.30%019%0.185CC..SBendtrans-92.9167.8-176.865.60000112.2V248 K254 N257 Y258 L262 F263 V264V248-T260 HydrophobicContact CG1-CG2 3.89Å; K254-T260 HydrophobicContact CB-CG2 4.26Å; K254-T260 HydrophobicContact CG-CG2 4.22Å; N257-T260 WeakPolarHBondContact O-CB 3.27Å; N257-T260 WeakPolarHBondContact O-CG2 3.26Å; N257-T260 PolarHBondContact O-N 3.31Å; N257-T260 PolarHBondContact O-OG1 3.44Å; Y258-T260 VanDerWaalsContact C-N 3.28Å; T260-L262 PolarHBondContact O-N 3.09Å; T260-L262 VanDerWaalsContact O-N 3.1Å; T260-L262 WeakPolarHBondContact OG1-CB 3.44Å; T260-L262 PolarHBondContact OG1-N 3.4Å; T260-F263 PolarHBondContact O-N 3.34Å; T260-F263 VanDerWaalsContact O-N 3.08Å; T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.38Å; T260-V264 PolarHBondContact O-N 3.16Å
261D95.1Very high95.4Very high58 Ų5839 Ų3931%0.3120%0.203SC..THydrogen-bonded Turntrans-60.5-15.617467.1-31000114T6 A7 Q252 F263 P265T6-D261 WeakPolarHBondContact CA-OD2 3.28Å; T6-D261 WeakPolarHBondContact CB-OD2 3.34Å; A7-D261 WeakPolarHBondContact CB-OD1 3.44Å; A7-D261 PolarHBondContact N-OD1 3.43Å; A7-D261 PolarHBondContact N-OD2 3.04Å; Q252-D261 VanDerWaalsContact NE2-CG 3.25Å; Q252-D261 PolarHBondContact NE2-OD1 3.37Å; Q252-D261 PolarHBondContact OE1-OD1 2.82Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 3.19Å; D261-P265 WeakPolarHBondContact O-CD 3.29Å
262L95.4Very high95.3Very high16 Ų1648.1 Ų48.18%0.08424%0.242CC..THydrogen-bonded Turntrans-66.6-28.5172.1-70164.3000113.6A7 E245 V248 T260 Y266A7-L262 HydrophobicContact CB-CD1 4.12Å; A7-L262 HydrophobicContact CB-CD2 3.51Å; A7-L262 HydrophobicContact CB-CG 3.57Å; E245-L262 HydrophobicContact CB-CD1 4.46Å; E245-L262 HydrophobicContact CG-CD1 4.04Å; V248-L262 HydrophobicContact CB-CD1 4.11Å; V248-L262 HydrophobicContact CG1-CD1 4.21Å; V248-L262 HydrophobicContact CG2-CD1 4.11Å; T260-L262 PolarHBondContact O-N 3.09Å; T260-L262 VanDerWaalsContact O-N 3.1Å; T260-L262 WeakPolarHBondContact OG1-CB 3.44Å; T260-L262 PolarHBondContact OG1-N 3.4Å; L262-Y266 WeakPolarHBondContact O-CD2 3.32Å; L262-Y266 WeakPolarHBondContact O-CE2 3.27Å
263F97Very high95.2Very high0 Ų048.8 Ų48.80%026%0.257CS..THydrogen-bonded Turntrans-119.2-24.4-171.3-70.5-85.1000114.2H95 E245 N257 Y258 T260 D261 P265 Y266 F267 A299H95-F263 AromaticContact CE1-CE2 3.64Å; H95-F263 AromaticContact CE1-CZ 3.26Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.43Å; H95-F263 AromaticContact ND1-CZ 3.52Å; E245-F263 HydrophobicContact CG-CE2 4.17Å; E245-F263 HydrophobicContact CG-CZ 4.48Å; N257-F263 VanDerWaalsContact O-CD2 3.22Å; N257-F263 WeakPolarHBondContact O-CD2 3.45Å; Y258-F263 AromaticContact CD1-CD1 3.68Å; Y258-F263 HydrophobicContact CD1-CD1 3.68Å; Y258-F263 HydrophobicContact CD1-CD2 4.29Å; Y258-F263 AromaticContact CD1-CE1 3.78Å; Y258-F263 HydrophobicContact CD1-CE1 3.78Å; Y258-F263 HydrophobicContact CD1-CE2 4.37Å; Y258-F263 AromaticContact CD1-CG 3.93Å; Y258-F263 HydrophobicContact CD1-CG 3.93Å; Y258-F263 HydrophobicContact CD1-CZ 4.11Å; Y258-F263 HydrophobicContact CE1-CD1 4.13Å; Y258-F263 AromaticContact CE1-CE1 3.79Å; Y258-F263 HydrophobicContact CE1-CE1 3.79Å; Y258-F263 HydrophobicContact CE1-CZ 4.11Å; Y258-F263 WeakPolarHBondContact O-CB 3.43Å; T260-F263 PolarHBondContact O-N 3.34Å; T260-F263 VanDerWaalsContact O-N 3.08Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 3.19Å; F263-P265 VanDerWaalsContact C-CD 3.45Å; F263-P265 VanDerWaalsContact C-N 3.35Å; F263-Y266 WeakPolarHBondContact O-CB 3.28Å; F263-Y266 PolarHBondContact O-N 3.06Å; F263-F267 HydrophobicContact CB-CE2 4.41Å; F263-F267 HydrophobicContact CB-CZ 4.28Å; F263-F267 PolarHBondContact O-N 3.43Å; F263-A299 HydrophobicContact CD1-CB 3.95Å
264V95.4Very high95.3Very high56 Ų5644.5 Ų44.534%0.33924%0.235SC..Hα-helixtrans-51.5-43.3-180168.20000113.6T260 Y266 F267 Q268T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.38Å; T260-V264 PolarHBondContact O-N 3.16Å; V264-Y266 VanDerWaalsContact C-N 3.31Å; V264-Y266 PolarHBondContact O-N 3.49Å; V264-F267 PolarHBondContact O-N 3.47Å; V264-Q268 HydrophobicContact CG1-CG 4.45Å; V264-Q268 WeakPolarHBondContact O-CG 3.43Å; V264-Q268 PolarHBondContact O-N 3.04Å
265P97.3Very high95.4Very high48 Ų4843.6 Ų43.631%0.31225%0.25SC..Hα-helixtrans-59.6-38.6177.8-25.435.7000113.4D261 F263 Q268 A269 V352D261-P265 WeakPolarHBondContact O-CD 3.29Å; F263-P265 VanDerWaalsContact C-CD 3.45Å; F263-P265 VanDerWaalsContact C-N 3.35Å; P265-Q268 PolarHBondContact O-N 3.35Å; P265-A269 PolarHBondContact O-N 3.43Å; P265-V352 HydrophobicContact CB-CG1 4.03Å
266Y97.6Very high95.5Very high1 Ų139.5 Ų39.50%0.00423%0.233CC..Hα-helixtrans-65.7-43.7177.5-61-88.1000111.4L262 F263 V264 Q268 A269 I270 A299 R303 V352 V353L262-Y266 WeakPolarHBondContact O-CD2 3.32Å; L262-Y266 WeakPolarHBondContact O-CE2 3.27Å; F263-Y266 WeakPolarHBondContact O-CB 3.28Å; F263-Y266 PolarHBondContact O-N 3.06Å; V264-Y266 VanDerWaalsContact C-N 3.31Å; V264-Y266 PolarHBondContact O-N 3.49Å; Y266-Q268 VanDerWaalsContact C-N 3.32Å; Y266-Q268 PolarHBondContact O-N 3.24Å; Y266-A269 PolarHBondContact O-N 2.83Å; Y266-I270 WeakPolarHBondContact O-CB 3.31Å; Y266-I270 VanDerWaalsContact O-CG1 3.22Å; Y266-I270 WeakPolarHBondContact O-CG1 3.33Å; Y266-I270 PolarHBondContact O-N 3.21Å; Y266-A299 HydrophobicContact CG-CB 4.05Å; Y266-R303 HydrophobicContact CE1-CG 4.16Å; Y266-R303 HydrophobicContact CE2-CG 4.35Å; Y266-R303 WeakPolarHBondContact OH-CG 3.43Å; Y266-V352 HydrophobicContact CD1-CB 4.06Å; Y266-V352 HydrophobicContact CD1-CG1 3.66Å; Y266-V352 HydrophobicContact CD2-CG1 4.35Å; Y266-V352 HydrophobicContact CE1-CB 4.02Å; Y266-V352 HydrophobicContact CE1-CG1 3.76Å; Y266-V352 HydrophobicContact CE2-CG1 4.46Å; Y266-V352 HydrophobicContact CG-CG1 3.98Å; Y266-V353 HydrophobicContact CE1-CB 4.41Å; Y266-V353 HydrophobicContact CE1-CG2 3.57Å; Y266-V353 WeakPolarHBondContact OH-CA 3.46Å
267F97.4Very high95.6Very high15 Ų1542.9 Ų42.97%0.06625%0.245CC..Hα-helixtrans-65.2-37.6179.2-63.6-10.9000111.8Y258 F263 V264 I270 Q271 Y279 Y295 R296 A299Y258-F267 HydrophobicContact CD1-CZ 4.1Å; Y258-F267 HydrophobicContact CG-CZ 4.41Å; Y258-F267 VanDerWaalsContact O-CE2 3.31Å; Y258-F267 WeakPolarHBondContact O-CE2 3.33Å; F263-F267 HydrophobicContact CB-CE2 4.41Å; F263-F267 HydrophobicContact CB-CZ 4.28Å; F263-F267 PolarHBondContact O-N 3.43Å; V264-F267 PolarHBondContact O-N 3.47Å; F267-I270 HydrophobicContact CD1-CD1 4.4Å; F267-I270 PolarHBondContact O-N 3.44Å; F267-Q271 VanDerWaalsContact O-CB 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.35Å; F267-Q271 PolarHBondContact O-N 2.61Å; F267-Y279 AromaticContact CD2-CD1 3.86Å; F267-Y279 HydrophobicContact CD2-CD1 3.86Å; F267-Y279 HydrophobicContact CD2-CD2 4.49Å; F267-Y279 HydrophobicContact CD2-CE1 4.34Å; F267-Y279 AromaticContact CD2-CG 3.94Å; F267-Y279 HydrophobicContact CD2-CG 3.94Å; F267-Y279 AromaticContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD2 4.18Å; F267-Y279 AromaticContact CE2-CE1 3.73Å; F267-Y279 HydrophobicContact CE2-CE1 3.73Å; F267-Y279 HydrophobicContact CE2-CE2 4.2Å; F267-Y279 AromaticContact CE2-CG 3.94Å; F267-Y279 HydrophobicContact CE2-CG 3.94Å; F267-Y279 AromaticContact CE2-CZ 3.97Å; F267-Y279 HydrophobicContact CZ-CE2 4.34Å; F267-Y295 HydrophobicContact CB-CD1 3.96Å; F267-Y295 HydrophobicContact CB-CE1 4.2Å; F267-Y295 AromaticContact CD1-CD1 3.68Å; F267-Y295 HydrophobicContact CD1-CD1 3.68Å; F267-Y295 HydrophobicContact CD1-CG 4.32Å; F267-Y295 HydrophobicContact CE1-CD1 4.4Å; F267-Y295 WeakPolarHBondContact CE1-O 3.4Å; F267-Y295 AromaticContact CG-CD1 3.93Å; F267-Y295 HydrophobicContact CG-CD1 3.93Å; F267-Y295 WeakPolarHBondContact O-CE1 3.4Å; F267-R296 HydrophobicContact CZ-CG 4.32Å; F267-A299 HydrophobicContact CD1-CB 4.17Å; F267-A299 HydrophobicContact CE1-CB 3.69Å
268Q97.3Very high95.6Very high125 Ų12546.3 Ų46.358%0.58427%0.267SS*.Hα-helixtrans-62.9-43.7173-69174.5-2.100111.9V264 P265 Y266 K272V264-Q268 HydrophobicContact CG1-CG 4.45Å; V264-Q268 WeakPolarHBondContact O-CG 3.43Å; V264-Q268 PolarHBondContact O-N 3.04Å; P265-Q268 PolarHBondContact O-N 3.35Å; Y266-Q268 VanDerWaalsContact C-N 3.32Å; Y266-Q268 PolarHBondContact O-N 3.24Å; Q268-K272 VanDerWaalsContact O-CB 3.29Å; Q268-K272 WeakPolarHBondContact O-CB 3.3Å; Q268-K272 PolarHBondContact O-N 3.21Å
269A97.4Very high95.6Very high26 Ų2648.2 Ų48.222%0.21528%0.275CS..Hα-helixtrans-64.9-43.1176.800000112.4P265 Y266 K272 G273 L349 V352P265-A269 PolarHBondContact O-N 3.43Å; Y266-A269 PolarHBondContact O-N 2.83Å; A269-K272 PolarHBondContact O-N 2.95Å; A269-G273 PolarHBondContact O-N 3.44Å; A269-L349 HydrophobicContact CB-CD2 4.01Å; A269-V352 HydrophobicContact CB-CG2 3.69Å
270I97.5Very high95.6Very high0 Ų049.3 Ų49.30%028%0.283CS..Hα-helixtrans-61.9-48175.9-67.4163.7000110.8Y266 F267 K272 G273 T274 Y295 L298 L339 F345 L349Y266-I270 WeakPolarHBondContact O-CB 3.31Å; Y266-I270 VanDerWaalsContact O-CG1 3.22Å; Y266-I270 WeakPolarHBondContact O-CG1 3.33Å; Y266-I270 PolarHBondContact O-N 3.21Å; F267-I270 HydrophobicContact CD1-CD1 4.4Å; F267-I270 PolarHBondContact O-N 3.44Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.28Å; I270-G273 PolarHBondContact O-N 3.31Å; I270-T274 HydrophobicContact CG2-CG2 4.3Å; I270-T274 WeakPolarHBondContact O-CB 3.38Å; I270-T274 WeakPolarHBondContact O-CG2 3.22Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 2.99Å; I270-Y295 HydrophobicContact CB-CD1 3.89Å; I270-Y295 HydrophobicContact CB-CE1 3.6Å; I270-Y295 HydrophobicContact CD1-CD1 4.09Å; I270-Y295 HydrophobicContact CG2-CD1 3.67Å; I270-Y295 HydrophobicContact CG2-CE1 3.36Å; I270-Y295 HydrophobicContact CG2-CG 4.43Å; I270-L298 HydrophobicContact CD1-CB 3.67Å; I270-L298 HydrophobicContact CD1-CD2 4.29Å; I270-L298 HydrophobicContact CG1-CB 4.47Å; I270-L298 HydrophobicContact CG1-CD2 4.28Å; I270-L298 HydrophobicContact CG2-CD2 4.46Å; I270-L339 HydrophobicContact CG2-CD1 3.75Å; I270-F345 HydrophobicContact CG1-CZ 4.43Å; I270-L349 HydrophobicContact CD1-CD1 4.37Å; I270-L349 HydrophobicContact CG1-CD1 4.06Å; I270-L349 HydrophobicContact CG1-CD2 4.01Å
271Q96.3Very high95.4Very high80 Ų8050.7 Ų50.737%0.37430%0.297SS..Hα-helixtrans-59.6-46.7177.7-170-172.9-5.900111.2F267 G275 A276 Y295F267-Q271 VanDerWaalsContact O-CB 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.35Å; F267-Q271 PolarHBondContact O-N 2.61Å; Q271-G275 WeakPolarHBondContact O-CA 3.37Å; Q271-G275 PolarHBondContact O-N 2.98Å; Q271-A276 WeakPolarHBondContact CG-O 3.41Å; Q271-Y295 VanDerWaalsContact CA-OH 3.27Å; Q271-Y295 WeakPolarHBondContact CA-OH 3.11Å; Q271-Y295 HydrophobicContact CB-CE1 4.41Å; Q271-Y295 WeakPolarHBondContact CB-OH 3.35Å
272K95.7Very high95.3Very high193 Ų19352.8 Ų52.884%0.83930%0.304SS*.Hα-helixtrans-64-42.1-179.7-175-176.3178.5-173.90112.4Q268 A269 I270Q268-K272 VanDerWaalsContact O-CB 3.29Å; Q268-K272 WeakPolarHBondContact O-CB 3.3Å; Q268-K272 PolarHBondContact O-N 3.21Å; A269-K272 PolarHBondContact O-N 2.95Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.28Å
273G93.4Very high95.1Very high43 Ų4354.4 Ų54.444%0.44331%0.314SS..Hα-helixtrans-81-25.9-174.700000114.8A269 I270A269-G273 PolarHBondContact O-N 3.44Å; I270-G273 PolarHBondContact O-N 3.31Å
274T94.8Very high94.7Very high26 Ų2657.4 Ų57.416%0.1635%0.345CS..Hα-helixtrans-105.1-25.5-177.566.40000113.4I270 A276 L339 A341 F345I270-T274 HydrophobicContact CG2-CG2 4.3Å; I270-T274 WeakPolarHBondContact O-CB 3.38Å; I270-T274 WeakPolarHBondContact O-CG2 3.22Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 2.99Å; T274-A276 PolarHBondContact O-N 3.03Å; T274-A276 WeakPolarHBondContact OG1-CB 3.47Å; T274-A276 PolarHBondContact OG1-N 3.42Å; T274-L339 HydrophobicContact CG2-CB 4Å; T274-A341 HydrophobicContact CG2-CB 3.73Å; T274-F345 HydrophobicContact CG2-CD1 3.95Å; T274-F345 HydrophobicContact CG2-CE1 3.61Å; T274-F345 HydrophobicContact CG2-CZ 3.99Å
275G93.8Very high94.2Very high67 Ų6759.3 Ų59.369%0.69137%0.367SS*.  trans74.110.9-172.100000114Q271Q271-G275 WeakPolarHBondContact O-CA 3.37Å; Q271-G275 PolarHBondContact O-N 2.98Å
276A93.5Very high93.9Very high18 Ų1862.5 Ų62.515%0.14938%0.381CS..PPolyproline II helixtrans-62.2160.5175.100000112.2Q271 T274 Y295 L339Q271-A276 WeakPolarHBondContact CG-O 3.41Å; T274-A276 PolarHBondContact O-N 3.03Å; T274-A276 WeakPolarHBondContact OG1-CB 3.47Å; T274-A276 PolarHBondContact OG1-N 3.42Å; A276-Y295 HydrophobicContact CB-CE2 4.33Å; A276-L339 HydrophobicContact CB-CD2 3.87Å
277R94.5Very high93.6Very high74 Ų7463 Ų6328%0.27938%0.384SS..PPolyproline II helixtrans-61.1154.9174.564.8164.2-179.676.7-3.7110.8T280 D287 D289 I291 D292 Y295R277-T280 PolarHBondContact NH1-OG1 3.26Å; R277-D287 IonicContact NH2-OD1 2.98Å; R277-D287 PolarHBondContact NH2-OD1 3.43Å; R277-D289 IonicContact CZ-OD1 3.91Å; R277-D289 IonicContact CZ-OD2 3.31Å; R277-D289 IonicContact NE-OD1 3.89Å; R277-D289 IonicContact NE-OD2 2.68Å; R277-D289 PolarHBondContact NE-OD2 2.79Å; R277-D289 IonicContact NH2-OD1 3.26Å; R277-D289 PolarHBondContact NH2-OD1 2.97Å; R277-D289 IonicContact NH2-OD2 3.11Å; R277-D289 PolarHBondContact NH2-OD2 3.4Å; R277-I291 HydrophobicContact CG-CD1 3.96Å; R277-I291 HydrophobicContact CG-CG2 4.09Å; R277-D292 IonicContact CZ-OD1 2.63Å; R277-D292 IonicContact NH1-OD1 3.22Å; R277-D292 PolarHBondContact NH1-OD1 3.07Å; R277-D292 IonicContact NH2-OD1 3.97Å; R277-D292 PolarHBondContact NH2-OD1 3.45Å; R277-Y295 WeakPolarHBondContact O-CE2 3.43Å; R277-Y295 PolarHBondContact O-OH 3.48Å; R277-Y295 VanDerWaalsContact O-OH 3.09Å
278P94.6Very high93.1Very high73 Ų7368.9 Ų68.947%0.47442%0.421SS..PPolyproline II helixtrans-54.7147.1173.5-22.331.2000112.6
279Y94.9Very high92.7Very high41 Ų4166.5 Ų66.516%0.16141%0.412CS..PPolyproline II helixtrans-61.8133171.9178.3-104.9000110.8D259 F267 D292 Y295 R296D259-Y279 WeakPolarHBondContact OD1-CE1 3.37Å; F267-Y279 AromaticContact CD2-CD1 3.86Å; F267-Y279 HydrophobicContact CD2-CD1 3.86Å; F267-Y279 HydrophobicContact CD2-CD2 4.49Å; F267-Y279 HydrophobicContact CD2-CE1 4.34Å; F267-Y279 AromaticContact CD2-CG 3.94Å; F267-Y279 HydrophobicContact CD2-CG 3.94Å; F267-Y279 AromaticContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD2 4.18Å; F267-Y279 AromaticContact CE2-CE1 3.73Å; F267-Y279 HydrophobicContact CE2-CE1 3.73Å; F267-Y279 HydrophobicContact CE2-CE2 4.2Å; F267-Y279 AromaticContact CE2-CG 3.94Å; F267-Y279 HydrophobicContact CE2-CG 3.94Å; F267-Y279 AromaticContact CE2-CZ 3.97Å; F267-Y279 HydrophobicContact CZ-CE2 4.34Å; Y279-D292 HydrophobicContact CD2-CB 3.85Å; Y279-D292 HydrophobicContact CE2-CB 3.67Å; Y279-Y295 HydrophobicContact CD2-CD2 4.29Å; Y279-Y295 HydrophobicContact CD2-CG 4.1Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å; Y279-R296 PolarHBondContact OH-NH1 3.38Å
280T93.8Very high92.4Very high75 Ų7565.8 Ų65.846%0.4641%0.407SS..  trans-116.3-0.2-176.960.10000115.2R277 K282 D292R277-T280 PolarHBondContact NH1-OG1 3.26Å; T280-K282 VanDerWaalsContact C-N 3.33Å; T280-K282 PolarHBondContact O-N 2.96Å; T280-D292 VanDerWaalsContact C-OD2 3.25Å; T280-D292 WeakPolarHBondContact CA-OD2 3.47Å; T280-D292 WeakPolarHBondContact CB-OD2 3.35Å; T280-D292 PolarHBondContact N-OD1 3.34Å; T280-D292 PolarHBondContact N-OD2 2.88Å; T280-D292 VanDerWaalsContact N-OD2 3.14Å; T280-D292 PolarHBondContact OG1-OD2 3.45Å
281G91.8Very high92.2Very high29 Ų2966.9 Ų66.930%0.29941%0.413SS..  trans76.711.5177.900000115.6D292G281-D292 PolarHBondContact N-OD2 2.97Å
282K93.2Very high92.2Very high102 Ų10263.1 Ų63.144%0.44340%0.395SS..  trans-82.7153.9-177.1-60.6-175.8-173.3179.70112T280 D286 D287 D292 R296T280-K282 VanDerWaalsContact C-N 3.33Å; T280-K282 PolarHBondContact O-N 2.96Å; K282-D286 HydrophobicContact CB-CB 4.11Å; K282-D286 HydrophobicContact CD-CB 4.28Å; K282-D286 WeakPolarHBondContact CD-O 3.38Å; K282-D286 HydrophobicContact CG-CB 4.43Å; K282-D287 HydrophobicContact CB-CB 4.14Å; K282-D292 PolarHBondContact N-OD2 3.15Å; K282-D292 WeakPolarHBondContact O-CB 3.5Å; K282-R296 PolarHBondContact O-NH1 3.03Å; K282-R296 PolarHBondContact O-NH2 3.14Å
283V90.9Very high92.1Very high50 Ų5055.6 Ų55.630%0.30336%0.364SS..  trans-136.9158-179.4-63.60000111V92 A285 D286V92-V283 HydrophobicContact CG1-CG1 3.7Å; V283-A285 PolarHBondContact O-N 2.91Å; V283-D286 PolarHBondContact O-N 3.01Å; V283-D286 VanDerWaalsContact O-N 3.12Å
284G87.1Confident92.1Very high63 Ų6353.6 Ų53.665%0.64934%0.342SS*.G310 helixtrans54.9-130.717400000113.5D286 D287G284-D286 PolarHBondContact O-N 3.26Å; G284-D287 PolarHBondContact O-N 3Å; G284-D287 VanDerWaalsContact O-N 3.15Å
285A86.6Confident92.2Very high96 Ų9652.4 Ų52.479%0.79334%0.335SS*.G310 helixtrans-63.5-20.6-178.400000113.9V283V283-A285 PolarHBondContact O-N 2.91Å
286D90.1Very high92.4Very high116 Ų11649.2 Ų49.262%0.6230%0.302SS*.G310 helixtrans-81-21.3178.6-66.1-33.8000112.4K282 V283 G284 V288K282-D286 HydrophobicContact CB-CB 4.11Å; K282-D286 HydrophobicContact CD-CB 4.28Å; K282-D286 WeakPolarHBondContact CD-O 3.38Å; K282-D286 HydrophobicContact CG-CB 4.43Å; V283-D286 PolarHBondContact O-N 3.01Å; V283-D286 VanDerWaalsContact O-N 3.12Å; G284-D286 PolarHBondContact O-N 3.26Å; D286-V288 VanDerWaalsContact C-N 3.35Å; D286-V288 PolarHBondContact O-N 3.44Å
287D90.7Very high92.5Very high12 Ų1248.4 Ų48.46%0.06430%0.295CS..  trans-91.863.7174.5-17127.4000111R277 K282 G284 D289 G290 I291 D292 M293R277-D287 IonicContact NH2-OD1 2.98Å; R277-D287 PolarHBondContact NH2-OD1 3.43Å; K282-D287 HydrophobicContact CB-CB 4.14Å; G284-D287 PolarHBondContact O-N 3Å; G284-D287 VanDerWaalsContact O-N 3.15Å; D287-D289 PolarHBondContact O-N 3.29Å; D287-D289 VanDerWaalsContact O-N 3.14Å; D287-G290 PolarHBondContact O-N 3.46Å; D287-G290 VanDerWaalsContact OD2-C 3.32Å; D287-G290 VanDerWaalsContact OD2-CA 3.29Å; D287-G290 WeakPolarHBondContact OD2-CA 3.32Å; D287-I291 PolarHBondContact OD1-N 3.05Å; D287-D292 PolarHBondContact OD1-N 3.43Å; D287-D292 VanDerWaalsContact OD1-N 3.16Å; D287-D292 PolarHBondContact OD2-N 3.41Å; D287-M293 PolarHBondContact OD2-N 3.34Å
288V87.3Confident92.6Very high137 Ų13744.9 Ų44.983%0.8328%0.282SS*.THydrogen-bonded Turntrans-55.8-34.3-169.2-178.60000113.9D286D286-V288 VanDerWaalsContact C-N 3.35Å; D286-V288 PolarHBondContact O-N 3.44Å
289D88.6Confident92.7Very high75 Ų7541.4 Ų41.440%0.40126%0.259SS..THydrogen-bonded Turntrans-94.1-6.6179.25815.6000113.4R277 D287 I291R277-D289 IonicContact CZ-OD1 3.91Å; R277-D289 IonicContact CZ-OD2 3.31Å; R277-D289 IonicContact NE-OD1 3.89Å; R277-D289 IonicContact NE-OD2 2.68Å; R277-D289 PolarHBondContact NE-OD2 2.79Å; R277-D289 IonicContact NH2-OD1 3.26Å; R277-D289 PolarHBondContact NH2-OD1 2.97Å; R277-D289 IonicContact NH2-OD2 3.11Å; R277-D289 PolarHBondContact NH2-OD2 3.4Å; D287-D289 PolarHBondContact O-N 3.29Å; D287-D289 VanDerWaalsContact O-N 3.14Å; D289-I291 HydrophobicContact CB-CD1 4.32Å; D289-I291 HydrophobicContact CB-CG1 4.18Å; D289-I291 PolarHBondContact O-N 3.17Å; D289-I291 WeakPolarHBondContact OD1-CB 3.48Å; D289-I291 PolarHBondContact OD1-N 2.89Å; D289-I291 VanDerWaalsContact OD1-N 3.08Å; D289-I291 WeakPolarHBondContact OD2-CD1 3.4Å
290G90.8Very high92.8Very high11 Ų1139.4 Ų39.411%0.11325%0.252CS..SBendtrans67.914.1-177.900000114.2D287 A294D287-G290 PolarHBondContact O-N 3.46Å; D287-G290 VanDerWaalsContact OD2-C 3.32Å; D287-G290 VanDerWaalsContact OD2-CA 3.29Å; D287-G290 WeakPolarHBondContact OD2-CA 3.32Å; G290-A294 PolarHBondContact O-N 3.31Å; G290-A294 VanDerWaalsContact O-N 3.15Å
291I94.7Very high93Very high24 Ų2435.9 Ų35.912%0.12323%0.23CC..Hα-helixtrans-72.3-41.1-176.7-71.3-179.8000110.3R277 D287 D289 M293 A294 Y295 L339R277-I291 HydrophobicContact CG-CD1 3.96Å; R277-I291 HydrophobicContact CG-CG2 4.09Å; D287-I291 PolarHBondContact OD1-N 3.05Å; D289-I291 HydrophobicContact CB-CD1 4.32Å; D289-I291 HydrophobicContact CB-CG1 4.18Å; D289-I291 PolarHBondContact O-N 3.17Å; D289-I291 WeakPolarHBondContact OD1-CB 3.48Å; D289-I291 PolarHBondContact OD1-N 2.89Å; D289-I291 VanDerWaalsContact OD1-N 3.08Å; D289-I291 WeakPolarHBondContact OD2-CD1 3.4Å; I291-M293 VanDerWaalsContact C-N 3.3Å; I291-M293 PolarHBondContact O-N 2.89Å; I291-A294 WeakPolarHBondContact O-CB 3.22Å; I291-A294 PolarHBondContact O-N 2.81Å; I291-A294 VanDerWaalsContact O-N 3.08Å; I291-Y295 HydrophobicContact CG2-CD2 3.69Å; I291-Y295 HydrophobicContact CG2-CE2 3.51Å; I291-Y295 VanDerWaalsContact O-CD2 3.26Å; I291-Y295 WeakPolarHBondContact O-CD2 3.44Å; I291-Y295 PolarHBondContact O-N 3.43Å; I291-L339 HydrophobicContact CG2-CD2 4.04Å
292D95.1Very high93.3Very high0 Ų034.6 Ų34.60%022%0.216CC..Hα-helixtrans-65.9-37.4-179-73.4-1.9000110.8R277 Y279 T280 G281 K282 D287 Y295 R296R277-D292 IonicContact CZ-OD1 2.63Å; R277-D292 IonicContact NH1-OD1 3.22Å; R277-D292 PolarHBondContact NH1-OD1 3.07Å; R277-D292 IonicContact NH2-OD1 3.97Å; R277-D292 PolarHBondContact NH2-OD1 3.45Å; Y279-D292 HydrophobicContact CD2-CB 3.85Å; Y279-D292 HydrophobicContact CE2-CB 3.67Å; T280-D292 VanDerWaalsContact C-OD2 3.25Å; T280-D292 WeakPolarHBondContact CA-OD2 3.47Å; T280-D292 WeakPolarHBondContact CB-OD2 3.35Å; T280-D292 PolarHBondContact N-OD1 3.34Å; T280-D292 PolarHBondContact N-OD2 2.88Å; T280-D292 VanDerWaalsContact N-OD2 3.14Å; T280-D292 PolarHBondContact OG1-OD2 3.45Å; G281-D292 PolarHBondContact N-OD2 2.97Å; K282-D292 PolarHBondContact N-OD2 3.15Å; K282-D292 WeakPolarHBondContact O-CB 3.5Å; D287-D292 PolarHBondContact OD1-N 3.43Å; D287-D292 VanDerWaalsContact OD1-N 3.16Å; D287-D292 PolarHBondContact OD2-N 3.41Å; D292-Y295 WeakPolarHBondContact O-CB 3.35Å; D292-Y295 PolarHBondContact O-N 3.18Å; D292-R296 PolarHBondContact O-N 2.71Å
293M93.8Very high93.5Very high36 Ų3629.8 Ų29.818%0.17720%0.195CC..Hα-helixtrans-60.1-44.2170.1-179.9170.873.300111.9G89 K90 D287 I291 Y295 R296 V297 Y334G89-M293 WeakPolarHBondContact O-CG 3.35Å; K90-M293 HydrophobicContact CG-SD 4.39Å; D287-M293 PolarHBondContact OD2-N 3.34Å; I291-M293 VanDerWaalsContact C-N 3.3Å; I291-M293 PolarHBondContact O-N 2.89Å; M293-Y295 VanDerWaalsContact C-N 3.33Å; M293-Y295 PolarHBondContact O-N 3.13Å; M293-R296 PolarHBondContact O-N 3.01Å; M293-V297 HydrophobicContact CG-CG2 4.24Å; M293-V297 WeakPolarHBondContact O-CG2 3.2Å; M293-V297 PolarHBondContact O-N 3.02Å; M293-Y334 HydrophobicContact CE-CE1 3.5Å; M293-Y334 WeakPolarHBondContact CE-OH 3.44Å
294A94.4Very high93.8Very high0 Ų027.4 Ų27.40%018%0.181CC..Hα-helixtrans-62.4-39.6178.900000112.1G290 I291 V297 L298 Y334 K338 L339G290-A294 PolarHBondContact O-N 3.31Å; G290-A294 VanDerWaalsContact O-N 3.15Å; I291-A294 WeakPolarHBondContact O-CB 3.22Å; I291-A294 PolarHBondContact O-N 2.81Å; I291-A294 VanDerWaalsContact O-N 3.08Å; A294-V297 PolarHBondContact O-N 3.47Å; A294-L298 WeakPolarHBondContact O-CB 3.47Å; A294-L298 WeakPolarHBondContact O-CD1 3.17Å; A294-L298 PolarHBondContact O-N 3.22Å; A294-Y334 HydrophobicContact CB-CD1 3.9Å; A294-K338 HydrophobicContact CB-CB 3.96Å; A294-L339 HydrophobicContact CB-CD1 3.95Å; A294-L339 HydrophobicContact CB-CD2 3.96Å; A294-L339 HydrophobicContact CB-CG 3.79Å
295Y97.2Very high94.3Very high1 Ų124.4 Ų24.40%0.00415%0.15CC..Hα-helixtrans-56.2-51.9172.8-89.1-82.2000111.7F267 I270 Q271 A276 R277 Y279 I291 D292 M293 L298 A299 L339F267-Y295 HydrophobicContact CB-CD1 3.96Å; F267-Y295 HydrophobicContact CB-CE1 4.2Å; F267-Y295 AromaticContact CD1-CD1 3.68Å; F267-Y295 HydrophobicContact CD1-CD1 3.68Å; F267-Y295 HydrophobicContact CD1-CG 4.32Å; F267-Y295 HydrophobicContact CE1-CD1 4.4Å; F267-Y295 WeakPolarHBondContact CE1-O 3.4Å; F267-Y295 AromaticContact CG-CD1 3.93Å; F267-Y295 HydrophobicContact CG-CD1 3.93Å; F267-Y295 WeakPolarHBondContact O-CE1 3.4Å; I270-Y295 HydrophobicContact CB-CD1 3.89Å; I270-Y295 HydrophobicContact CB-CE1 3.6Å; I270-Y295 HydrophobicContact CD1-CD1 4.09Å; I270-Y295 HydrophobicContact CG2-CD1 3.67Å; I270-Y295 HydrophobicContact CG2-CE1 3.36Å; I270-Y295 HydrophobicContact CG2-CG 4.43Å; Q271-Y295 VanDerWaalsContact CA-OH 3.27Å; Q271-Y295 WeakPolarHBondContact CA-OH 3.11Å; Q271-Y295 HydrophobicContact CB-CE1 4.41Å; Q271-Y295 WeakPolarHBondContact CB-OH 3.35Å; A276-Y295 HydrophobicContact CB-CE2 4.33Å; R277-Y295 WeakPolarHBondContact O-CE2 3.43Å; R277-Y295 PolarHBondContact O-OH 3.48Å; R277-Y295 VanDerWaalsContact O-OH 3.09Å; Y279-Y295 HydrophobicContact CD2-CD2 4.29Å; Y279-Y295 HydrophobicContact CD2-CG 4.1Å; I291-Y295 HydrophobicContact CG2-CD2 3.69Å; I291-Y295 HydrophobicContact CG2-CE2 3.51Å; I291-Y295 VanDerWaalsContact O-CD2 3.26Å; I291-Y295 WeakPolarHBondContact O-CD2 3.44Å; I291-Y295 PolarHBondContact O-N 3.43Å; D292-Y295 WeakPolarHBondContact O-CB 3.35Å; D292-Y295 PolarHBondContact O-N 3.18Å; M293-Y295 VanDerWaalsContact C-N 3.33Å; M293-Y295 PolarHBondContact O-N 3.13Å; Y295-L298 PolarHBondContact O-N 3.41Å; Y295-A299 WeakPolarHBondContact O-CB 3.47Å; Y295-A299 PolarHBondContact O-N 3.26Å; Y295-A299 VanDerWaalsContact O-N 3.07Å; Y295-L339 HydrophobicContact CE2-CD2 4.32Å
296R96.9Very high94.8Very high1 Ų120 Ų200%0.00411%0.113CC..Hα-helixtrans-60.2-48.1179.9-69.2-174.9-69.6-90.6-1112.1G89 D91 Y258 F267 Y279 K282 D292 M293 L298 A299 D300G89-R296 PolarHBondContact O-NE 2.72Å; G89-R296 PolarHBondContact O-NH2 2.8Å; D91-R296 WeakPolarHBondContact O-CD 3.46Å; D91-R296 PolarHBondContact O-NE 3.09Å; Y258-R296 HydrophobicContact CD1-CB 4.05Å; Y258-R296 HydrophobicContact CD1-CG 3.75Å; Y258-R296 VanDerWaalsContact CD2-CD 3.5Å; Y258-R296 HydrophobicContact CD2-CG 3.86Å; Y258-R296 HydrophobicContact CE1-CB 3.76Å; Y258-R296 HydrophobicContact CE1-CG 3.95Å; Y258-R296 HydrophobicContact CE2-CB 4.35Å; Y258-R296 HydrophobicContact CE2-CG 4.1Å; Y258-R296 HydrophobicContact CG-CB 4.43Å; Y258-R296 HydrophobicContact CG-CG 3.69Å; F267-R296 HydrophobicContact CZ-CG 4.32Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å; Y279-R296 PolarHBondContact OH-NH1 3.38Å; K282-R296 PolarHBondContact O-NH1 3.03Å; K282-R296 PolarHBondContact O-NH2 3.14Å; D292-R296 PolarHBondContact O-N 2.71Å; M293-R296 PolarHBondContact O-N 3.01Å; R296-L298 PolarHBondContact O-N 3.45Å; R296-A299 PolarHBondContact O-N 3.41Å; R296-D300 WeakPolarHBondContact O-CB 3.4Å; R296-D300 PolarHBondContact O-N 3.08Å
297V95.1Very high95.1Very high0 Ų014.4 Ų14.40%08%0.084CC..Hα-helixtrans-60.5-46.4179.1172.10000111.6M293 A294 H301 R330 Y334M293-V297 HydrophobicContact CG-CG2 4.24Å; M293-V297 WeakPolarHBondContact O-CG2 3.2Å; M293-V297 PolarHBondContact O-N 3.02Å; A294-V297 PolarHBondContact O-N 3.47Å; V297-H301 WeakPolarHBondContact O-CB 3.48Å; V297-H301 VanDerWaalsContact O-CG 3.27Å; V297-H301 PolarHBondContact O-N 3.47Å; V297-R330 HydrophobicContact CG1-CG 4.33Å; V297-Y334 HydrophobicContact CB-CD2 4.38Å; V297-Y334 HydrophobicContact CG1-CD2 3.78Å; V297-Y334 HydrophobicContact CG1-CE2 4.37Å; V297-Y334 HydrophobicContact CG1-CG 4.28Å; V297-Y334 HydrophobicContact CG2-CD2 4.49Å; V297-Y334 HydrophobicContact CG2-CE2 4.46Å
298L96.9Very high95.3Very high0 Ų013.9 Ų13.90%08%0.081CC..Hα-helixtrans-65.2-43.6-178.8-9569.1000111.9I270 A294 Y295 R296 A302 L339 F345 F346 L349I270-L298 HydrophobicContact CD1-CB 3.67Å; I270-L298 HydrophobicContact CD1-CD2 4.29Å; I270-L298 HydrophobicContact CG1-CB 4.47Å; I270-L298 HydrophobicContact CG1-CD2 4.28Å; I270-L298 HydrophobicContact CG2-CD2 4.46Å; A294-L298 WeakPolarHBondContact O-CB 3.47Å; A294-L298 WeakPolarHBondContact O-CD1 3.17Å; A294-L298 PolarHBondContact O-N 3.22Å; Y295-L298 PolarHBondContact O-N 3.41Å; R296-L298 PolarHBondContact O-N 3.45Å; L298-A302 WeakPolarHBondContact O-CB 2.99Å; L298-A302 PolarHBondContact O-N 3.33Å; L298-L339 HydrophobicContact CD1-CD1 4.1Å; L298-L339 HydrophobicContact CD2-CD1 3.51Å; L298-L339 HydrophobicContact CG-CD1 4.38Å; L298-F345 HydrophobicContact CD2-CE1 4.24Å; L298-F346 HydrophobicContact CG-CD2 4.27Å; L298-F346 HydrophobicContact CG-CE2 4.43Å; L298-L349 HydrophobicContact CB-CD1 4.31Å; L298-L349 HydrophobicContact CD2-CD1 4.38Å
299A97.3Very high95.4Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-66-47.4-178.600000111.9F263 Y266 F267 Y295 R296 R303F263-A299 HydrophobicContact CD1-CB 3.95Å; Y266-A299 HydrophobicContact CG-CB 4.05Å; F267-A299 HydrophobicContact CD1-CB 4.17Å; F267-A299 HydrophobicContact CE1-CB 3.69Å; Y295-A299 WeakPolarHBondContact O-CB 3.47Å; Y295-A299 PolarHBondContact O-N 3.26Å; Y295-A299 VanDerWaalsContact O-N 3.07Å; R296-A299 PolarHBondContact O-N 3.41Å; A299-R303 WeakPolarHBondContact O-CG 2.87Å; A299-R303 PolarHBondContact O-N 3.18Å
300D97.3Very high95.5Very high0 Ų05.3 Ų5.30%03%0.032CC..Hα-helixtrans-61.5-53.7176.117179.6000111.4V88 H95 T96 F97 R296 A302 R303 T304V88-D300 HydrophobicContact CG1-CB 3.88Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.25Å; H95-D300 VanDerWaalsContact CA-OD1 3.29Å; H95-D300 WeakPolarHBondContact CA-OD1 3.23Å; H95-D300 WeakPolarHBondContact CB-OD1 3.49Å; H95-D300 IonicContact ND1-OD1 3.39Å; T96-D300 WeakPolarHBondContact CB-OD2 3.43Å; T96-D300 PolarHBondContact N-OD1 3.49Å; T96-D300 PolarHBondContact N-OD2 2.93Å; T96-D300 PolarHBondContact OG1-OD2 3.06Å; F97-D300 PolarHBondContact N-OD1 3.1Å; R296-D300 WeakPolarHBondContact O-CB 3.4Å; R296-D300 PolarHBondContact O-N 3.08Å; D300-A302 VanDerWaalsContact C-N 3.28Å; D300-A302 PolarHBondContact O-N 3.05Å; D300-R303 WeakPolarHBondContact O-CB 3.41Å; D300-R303 PolarHBondContact O-N 3.05Å; D300-T304 PolarHBondContact O-N 2.74Å; D300-T304 PolarHBondContact O-OG1 3.37Å; D300-T304 VanDerWaalsContact O-OG1 3.12Å
301H96.9Very high95.4Very high0 Ų05.6 Ų5.60%03%0.032CC..Hα-helixtrans-68-28.3-175.7-68.25.6000112.6V297 T304 I305 I327 R330 A331 F346V297-H301 WeakPolarHBondContact O-CB 3.48Å; V297-H301 VanDerWaalsContact O-CG 3.27Å; V297-H301 PolarHBondContact O-N 3.47Å; H301-T304 PolarHBondContact O-N 3.24Å; H301-I305 VanDerWaalsContact O-CB 3.31Å; H301-I305 WeakPolarHBondContact O-CB 3.25Å; H301-I305 VanDerWaalsContact O-CG1 3.25Å; H301-I305 WeakPolarHBondContact O-CG1 3.43Å; H301-I305 PolarHBondContact O-N 3.41Å; H301-I327 HydrophobicContact CB-CG2 3.72Å; H301-I327 PolarHBondContact CD2-O 3.28Å; H301-I327 VanDerWaalsContact CD2-O 3.29Å; H301-I327 VanDerWaalsContact CG-CG2 3.49Å; H301-R330 PolarHBondContact CE1-NH1 3.03Å; H301-R330 PolarHBondContact NE2-NH1 3.4Å; H301-R330 VanDerWaalsContact NE2-NH1 3.11Å; H301-A331 HydrophobicContact CB-CB 3.7Å; H301-F346 HydrophobicContact CB-CZ 4.42Å
302A97.9Very high94.8Very high2 Ų25.7 Ų5.72%0.0174%0.039CC..Hα-helixtrans-62.2-44.1171.300000111.2L298 D300 T306 F346 L349 V353L298-A302 WeakPolarHBondContact O-CB 2.99Å; L298-A302 PolarHBondContact O-N 3.33Å; D300-A302 VanDerWaalsContact C-N 3.28Å; D300-A302 PolarHBondContact O-N 3.05Å; A302-T306 VanDerWaalsContact O-CB 3.23Å; A302-T306 WeakPolarHBondContact O-CB 3.39Å; A302-T306 PolarHBondContact O-N 2.66Å; A302-T306 PolarHBondContact O-OG1 2.81Å; A302-F346 HydrophobicContact CB-CE2 4Å; A302-F346 HydrophobicContact CB-CZ 4.14Å; A302-L349 HydrophobicContact CB-CB 3.86Å; A302-L349 HydrophobicContact CB-CD1 4.14Å; A302-V353 HydrophobicContact CB-CG2 4.22Å
303R97.8Very high94.2Very high1 Ų16 Ų60%0.0044%0.041CC..Hα-helixtrans-60.1-51.9174.6-66.2172.173.7-156.61.3110.6F97 E245 Y266 A299 D300 I305 T306 I307 V353 L357F97-R303 HydrophobicContact CD1-CB 3.77Å; F97-R303 HydrophobicContact CE1-CB 4.45Å; E245-R303 IonicContact OE1-CZ 3.63Å; E245-R303 IonicContact OE1-NH1 2.68Å; E245-R303 PolarHBondContact OE1-NH1 2.99Å; E245-R303 VanDerWaalsContact OE1-NH1 3.08Å; E245-R303 IonicContact OE1-NH2 2.8Å; E245-R303 PolarHBondContact OE1-NH2 3.05Å; Y266-R303 HydrophobicContact CE1-CG 4.16Å; Y266-R303 HydrophobicContact CE2-CG 4.35Å; Y266-R303 WeakPolarHBondContact OH-CG 3.43Å; A299-R303 WeakPolarHBondContact O-CG 2.87Å; A299-R303 PolarHBondContact O-N 3.18Å; D300-R303 WeakPolarHBondContact O-CB 3.41Å; D300-R303 PolarHBondContact O-N 3.05Å; R303-I305 PolarHBondContact O-N 3.34Å; R303-T306 PolarHBondContact O-N 3.18Å; R303-I307 WeakPolarHBondContact O-CB 3.49Å; R303-I307 WeakPolarHBondContact O-CG1 3.48Å; R303-I307 PolarHBondContact O-N 3.48Å; R303-V353 HydrophobicContact CG-CG2 4.39Å; R303-L357 HydrophobicContact CG-CD1 4.4Å
304T97.4Very high93.6Very high0 Ų06.9 Ų6.90%04%0.042CC..Hα-helixtrans-60.8-48.1-177.5-49.80000113.2I76 T96 F97 D300 H301 S308 I327I76-T304 HydrophobicContact CD1-CG2 3.99Å; I76-T304 HydrophobicContact CG1-CG2 4.2Å; I76-T304 HydrophobicContact CG2-CG2 4.21Å; T96-T304 WeakPolarHBondContact OG1-CB 3.49Å; T96-T304 PolarHBondContact OG1-OG1 3.38Å; F97-T304 HydrophobicContact CB-CG2 4.16Å; F97-T304 WeakPolarHBondContact CB-OG1 3.45Å; F97-T304 PolarHBondContact N-OG1 3.13Å; D300-T304 PolarHBondContact O-N 2.74Å; D300-T304 PolarHBondContact O-OG1 3.37Å; D300-T304 VanDerWaalsContact O-OG1 3.12Å; H301-T304 PolarHBondContact O-N 3.24Å; T304-S308 VanDerWaalsContact O-CB 3.32Å; T304-S308 WeakPolarHBondContact O-CB 3.33Å; T304-S308 PolarHBondContact O-N 2.7Å; T304-S308 PolarHBondContact O-OG 3.1Å; T304-I327 HydrophobicContact CG2-CD1 3.86Å
305I97.3Very high92.8Very high1 Ų17 Ų71%0.0054%0.043CC..Hα-helixtrans-67.4-44.1-179.4-67.6-59.5000110.6H301 R303 I307 S308 L309 L324 I327 L328 I375H301-I305 VanDerWaalsContact O-CB 3.31Å; H301-I305 WeakPolarHBondContact O-CB 3.25Å; H301-I305 VanDerWaalsContact O-CG1 3.25Å; H301-I305 WeakPolarHBondContact O-CG1 3.43Å; H301-I305 PolarHBondContact O-N 3.41Å; R303-I305 PolarHBondContact O-N 3.34Å; I305-I307 PolarHBondContact O-N 3.38Å; I305-S308 PolarHBondContact O-N 3.34Å; I305-S308 PolarHBondContact O-OG 3.32Å; I305-L309 HydrophobicContact CG2-CD1 3.55Å; I305-L309 HydrophobicContact CG2-CG 4.02Å; I305-L309 VanDerWaalsContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.86Å; I305-L324 WeakPolarHBondContact CD1-O 3.47Å; I305-I327 HydrophobicContact CD1-CB 3.94Å; I305-I327 HydrophobicContact CD1-CG2 3.78Å; I305-I327 HydrophobicContact CG1-CG2 3.85Å; I305-L328 HydrophobicContact CD1-CB 3.85Å; I305-L328 HydrophobicContact CG1-CB 4.18Å; I305-I375 HydrophobicContact CG2-CD1 3.81Å; I305-I375 HydrophobicContact CG2-CG1 3.85Å
306T97.7Very high91.4Very high2 Ų29.2 Ų9.21%0.0126%0.055CC..Hα-helixtrans-61.5-48.2-179.7-56.50000110.8A302 R303 L309 S310 V350 V353 L364 V371A302-T306 VanDerWaalsContact O-CB 3.23Å; A302-T306 WeakPolarHBondContact O-CB 3.39Å; A302-T306 PolarHBondContact O-N 2.66Å; A302-T306 PolarHBondContact O-OG1 2.81Å; R303-T306 PolarHBondContact O-N 3.18Å; T306-L309 PolarHBondContact O-N 2.77Å; T306-S310 WeakPolarHBondContact O-CB 3.18Å; T306-S310 PolarHBondContact O-N 3.41Å; T306-S310 PolarHBondContact O-OG 3.28Å; T306-S310 VanDerWaalsContact O-OG 3.07Å; T306-V350 HydrophobicContact CG2-CG1 3.99Å; T306-V353 HydrophobicContact CG2-CB 3.93Å; T306-V353 HydrophobicContact CG2-CG1 3.75Å; T306-V353 HydrophobicContact CG2-CG2 4.47Å; T306-L364 HydrophobicContact CG2-CD2 4.3Å; T306-V371 HydrophobicContact CG2-CG1 4.43Å
307I96.5Very high89.5Confident0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-61.5-52.2178.9-75.7173000111.9T31 K74 F97 R303 I305 L309 S310 D311 L357 L364T31-I307 HydrophobicContact CG2-CG2 3.61Å; K74-I307 HydrophobicContact CD-CG2 3.84Å; K74-I307 HydrophobicContact CG-CG2 4.48Å; F97-I307 HydrophobicContact CD1-CD1 3.78Å; F97-I307 HydrophobicContact CD2-CD1 3.76Å; F97-I307 HydrophobicContact CD2-CG2 4.45Å; F97-I307 HydrophobicContact CE1-CD1 3.28Å; F97-I307 HydrophobicContact CE2-CD1 3.27Å; F97-I307 HydrophobicContact CE2-CG2 4.28Å; F97-I307 HydrophobicContact CG-CD1 4.01Å; F97-I307 HydrophobicContact CZ-CD1 3.02Å; F97-I307 HydrophobicContact CZ-CG1 4.49Å; R303-I307 WeakPolarHBondContact O-CB 3.49Å; R303-I307 WeakPolarHBondContact O-CG1 3.48Å; R303-I307 PolarHBondContact O-N 3.48Å; I305-I307 PolarHBondContact O-N 3.38Å; I307-L309 VanDerWaalsContact C-N 3.32Å; I307-L309 PolarHBondContact O-N 3.2Å; I307-S310 PolarHBondContact O-N 3.08Å; I307-D311 VanDerWaalsContact O-CB 3.31Å; I307-D311 WeakPolarHBondContact O-CB 3.36Å; I307-D311 PolarHBondContact O-N 3.46Å; I307-L357 HydrophobicContact CD1-CD1 3.87Å; I307-L364 HydrophobicContact CG1-CD1 4.34Å; I307-L364 HydrophobicContact CG1-CD2 4Å
308S94Very high87.6Confident0 Ų019.2 Ų19.20%011%0.112CC..Hα-helixtrans-64-35.5-176.956.70000113T304 I305 D311 G312 G313 L324T304-S308 VanDerWaalsContact O-CB 3.32Å; T304-S308 WeakPolarHBondContact O-CB 3.33Å; T304-S308 PolarHBondContact O-N 2.7Å; T304-S308 PolarHBondContact O-OG 3.1Å; I305-S308 PolarHBondContact O-N 3.34Å; I305-S308 PolarHBondContact O-OG 3.32Å; S308-D311 PolarHBondContact O-N 3.1Å; S308-G312 PolarHBondContact O-N 3.35Å; S308-G313 VanDerWaalsContact O-CA 3.23Å; S308-G313 WeakPolarHBondContact O-CA 3.21Å; S308-G313 PolarHBondContact O-N 3.49Å; S308-L324 VanDerWaalsContact OG-CD2 3.24Å; S308-L324 WeakPolarHBondContact OG-CD2 3.24Å
309L89.5Confident86.3Confident1 Ų121.4 Ų21.41%0.00514%0.135CC..Hα-helixtrans-73.1-37.9176.4-65.6-176.5000112.1I305 T306 I307 D311 G312 G313 R314 P315 V371 V374 I375I305-L309 HydrophobicContact CG2-CD1 3.55Å; I305-L309 HydrophobicContact CG2-CG 4.02Å; I305-L309 VanDerWaalsContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.86Å; T306-L309 PolarHBondContact O-N 2.77Å; I307-L309 VanDerWaalsContact C-N 3.32Å; I307-L309 PolarHBondContact O-N 3.2Å; L309-D311 VanDerWaalsContact C-N 3.28Å; L309-G312 PolarHBondContact O-N 3.47Å; L309-G313 WeakPolarHBondContact CD2-O 3.48Å; L309-R314 PolarHBondContact O-NH1 3.38Å; L309-P315 HydrophobicContact CD2-CG 4.31Å; L309-V371 HydrophobicContact CB-CG1 4.06Å; L309-V371 HydrophobicContact CB-CG2 4.14Å; L309-V371 HydrophobicContact CD1-CG1 3.93Å; L309-V374 HydrophobicContact CD1-CB 4.27Å; L309-V374 HydrophobicContact CD1-CG1 3.92Å; L309-V374 HydrophobicContact CD2-CG1 4.18Å; L309-I375 HydrophobicContact CD1-CD1 4.44Å; L309-I375 HydrophobicContact CD1-CG1 3.95Å
310S90.9Very high85.3Confident31 Ų3124.8 Ų24.822%0.21715%0.148CC..Hα-helixtrans-63.9-35.3172.3-69.10000112T306 I307 G312 L364T306-S310 WeakPolarHBondContact O-CB 3.18Å; T306-S310 PolarHBondContact O-N 3.41Å; T306-S310 PolarHBondContact O-OG 3.28Å; T306-S310 VanDerWaalsContact O-OG 3.07Å; I307-S310 PolarHBondContact O-N 3.08Å; S310-G312 PolarHBondContact O-N 2.88Å; S310-L364 WeakPolarHBondContact OG-CD2 3.3Å
311D89.7Confident84.3Confident18 Ų1825 Ų2510%0.09615%0.15CC..THydrogen-bonded Turntrans-77.39175.1-79.7-7.3000114S30 T31 I32 K74 I307 S308 L309S30-D311 WeakPolarHBondContact OG-CB 3.45Å; S30-D311 PolarHBondContact OG-O 2.83Å; T31-D311 WeakPolarHBondContact CB-OD2 3.48Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.38Å; T31-D311 PolarHBondContact N-OD2 3.11Å; T31-D311 PolarHBondContact OG1-OD2 3.23Å; I32-D311 HydrophobicContact CG1-CB 4.32Å; K74-D311 VanDerWaalsContact NZ-CG 3.26Å; K74-D311 IonicContact NZ-OD1 3.09Å; K74-D311 PolarHBondContact NZ-OD1 3.1Å; K74-D311 IonicContact NZ-OD2 2.67Å; K74-D311 PolarHBondContact NZ-OD2 3.17Å; I307-D311 VanDerWaalsContact O-CB 3.31Å; I307-D311 WeakPolarHBondContact O-CB 3.36Å; I307-D311 PolarHBondContact O-N 3.46Å; S308-D311 PolarHBondContact O-N 3.1Å; L309-D311 VanDerWaalsContact C-N 3.28Å
312G80.8Confident83.1Confident26 Ų2628 Ų2827%0.26816%0.162SC..THydrogen-bonded Turntrans88.5-1.9175.600000115.4S308 L309 S310S308-G312 PolarHBondContact O-N 3.35Å; L309-G312 PolarHBondContact O-N 3.47Å; S310-G312 PolarHBondContact O-N 2.88Å
313G82.3Confident82.2Confident5 Ų528.5 Ų28.55%0.05217%0.165CC..  trans-61147.1170.200000111.5S308 L309S308-G313 VanDerWaalsContact O-CA 3.23Å; S308-G313 WeakPolarHBondContact O-CA 3.21Å; S308-G313 PolarHBondContact O-N 3.49Å; L309-G313 WeakPolarHBondContact CD2-O 3.48Å
314R81.6Confident81.6Confident55 Ų5528.5 Ų28.521%0.20817%0.165CC..  trans-139.2144.2177.9-66.6-66.4179.1-94.74111L309 D316 G321 M370L309-R314 PolarHBondContact O-NH1 3.38Å; R314-D316 PolarHBondContact O-N 2.86Å; R314-G321 WeakPolarHBondContact O-CA 3.48Å; R314-M370 VanDerWaalsContact NH2-CE 3.34Å; R314-M370 PolarHBondContact NH2-SD 2.94Å
315P78.6Confident80.9Confident2 Ų229.5 Ų29.51%0.01317%0.169CC..  trans-66.8127.2176.4-2135.8000111.7L309 G321 R325 L328 V374 E378L309-P315 HydrophobicContact CD2-CG 4.31Å; P315-G321 WeakPolarHBondContact CA-O 3.41Å; P315-R325 HydrophobicContact CB-CB 3.93Å; P315-R325 HydrophobicContact CB-CG 4.5Å; P315-R325 PolarHBondContact O-NH2 2.94Å; P315-L328 HydrophobicContact CG-CD2 4.42Å; P315-V374 HydrophobicContact CG-CG1 4.16Å; P315-E378 HydrophobicContact CB-CG 3.96Å; P315-E378 HydrophobicContact CG-CG 3.92Å
316D67.5Low80.1Confident49 Ų4931.5 Ų31.526%0.26218%0.176SC..  trans-141.2-180-177.7-152.9-13.3000112R314 G321 Y322 R325R314-D316 PolarHBondContact O-N 2.86Å; D316-G321 PolarHBondContact N-O 3.47Å; D316-G321 CarbonylContact O-C 3.58Å; D316-Y322 WeakPolarHBondContact O-CA 3.5Å; D316-Y322 PolarHBondContact O-N 2.97Å; D316-R325 VanDerWaalsContact CA-NH2 3.29Å; D316-R325 WeakPolarHBondContact O-CD 3.48Å; D316-R325 PolarHBondContact O-NE 2.91Å; D316-R325 PolarHBondContact O-NH1 3.48Å
317N55.8Low79.6Confident109 Ų10931.4 Ų31.458%0.58318%0.176SC*.SBendtrans-87.6-13.4177.1-69.1-57.1000113.4R325N317-R325 PolarHBondContact OD1-NH1 3.41Å
318T56.4Low79.3Confident101 Ų10131.5 Ų31.562%0.6218%0.176SC*.SBendtrans-134.4163.3-175.560.70000112.1G321 Y322T318-G321 PolarHBondContact O-N 2.68Å; T318-Y322 PolarHBondContact O-N 3.37Å
319G68.8Low78.9Confident46 Ų4632.8 Ų32.847%0.47418%0.181SC..Hα-helixtrans53.6-139.9172.900000114.4G321 Y322G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.78Å; G319-Y322 WeakPolarHBondContact O-CB 3.39Å; G319-Y322 PolarHBondContact O-N 3.28Å
320R77.8Confident78.8Confident72 Ų7233.4 Ų33.427%0.27218%0.183SC..Hα-helixtrans-63.6-34.4179.461.5-174.165.7159.5-4.3112.8P33 L39 L40 F41 Y322 V323 L324P33-R320 PolarHBondContact O-NH1 3.33Å; P33-R320 VanDerWaalsContact O-NH1 3.12Å; L39-R320 PolarHBondContact O-NH2 2.83Å; L40-R320 HydrophobicContact CB-CB 4.32Å; L40-R320 HydrophobicContact CD2-CB 4.31Å; L40-R320 PolarHBondContact O-NE 3.44Å; F41-R320 HydrophobicContact CE1-CB 4.09Å; F41-R320 HydrophobicContact CE2-CB 4.31Å; F41-R320 HydrophobicContact CZ-CB 3.83Å; R320-Y322 VanDerWaalsContact C-N 3.28Å; R320-Y322 PolarHBondContact O-N 3.29Å; R320-V323 PolarHBondContact O-N 2.68Å; R320-V323 VanDerWaalsContact O-N 3.11Å; R320-L324 PolarHBondContact O-N 3.02Å
321G74.5Confident78.8Confident5 Ų531.9 Ų31.95%0.05217%0.173CC..Hα-helixtrans-63.8-34.2177.400000112.9R314 P315 D316 T318 G319 L324 R325R314-G321 WeakPolarHBondContact O-CA 3.48Å; P315-G321 WeakPolarHBondContact CA-O 3.41Å; D316-G321 PolarHBondContact N-O 3.47Å; D316-G321 CarbonylContact O-C 3.58Å; T318-G321 PolarHBondContact O-N 2.68Å; G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.78Å; G321-L324 PolarHBondContact O-N 3.06Å; G321-R325 WeakPolarHBondContact O-CB 3.47Å; G321-R325 PolarHBondContact O-N 3.12Å
322Y72.3Confident78.9Confident62 Ų6231 Ų3124%0.24317%0.168CC..Hα-helixtrans-61.4-43.1171.7176.5-98000112.3D316 T318 G319 R320 R325 R326 Y415D316-Y322 WeakPolarHBondContact O-CA 3.5Å; D316-Y322 PolarHBondContact O-N 2.97Å; T318-Y322 PolarHBondContact O-N 3.37Å; G319-Y322 WeakPolarHBondContact O-CB 3.39Å; G319-Y322 PolarHBondContact O-N 3.28Å; R320-Y322 VanDerWaalsContact C-N 3.28Å; R320-Y322 PolarHBondContact O-N 3.29Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 3.3Å; Y322-R326 PolarHBondContact O-N 3.34Å; Y322-Y415 HydrophobicContact CE2-CE2 4.17Å
323V80.1Confident79.1Confident13 Ų1330 Ų308%0.07916%0.156CC..Hα-helixtrans-64.6-46.2178.1-178.30000111.1L40 F41 A78 R320 R325 R326 I327L40-V323 HydrophobicContact CD1-CG2 4.13Å; F41-V323 HydrophobicContact CE2-CB 3.81Å; F41-V323 HydrophobicContact CE2-CG1 3.79Å; F41-V323 HydrophobicContact CE2-CG2 4.31Å; F41-V323 HydrophobicContact CZ-CB 4.07Å; F41-V323 HydrophobicContact CZ-CG1 4.27Å; A78-V323 HydrophobicContact CB-CG1 3.67Å; A78-V323 WeakPolarHBondContact O-CG1 3.19Å; R320-V323 PolarHBondContact O-N 2.68Å; R320-V323 VanDerWaalsContact O-N 3.11Å; V323-R325 VanDerWaalsContact C-N 3.28Å; V323-R325 PolarHBondContact O-N 2.93Å; V323-R326 WeakPolarHBondContact O-CA 3.41Å; V323-R326 VanDerWaalsContact O-CB 3.26Å; V323-R326 WeakPolarHBondContact O-CB 3.4Å; V323-R326 PolarHBondContact O-N 2.95Å; V323-I327 HydrophobicContact CG1-CD1 4.09Å; V323-I327 HydrophobicContact CG1-CG1 4.45Å; V323-I327 WeakPolarHBondContact O-CG1 3.26Å; V323-I327 PolarHBondContact O-N 3.1Å
324L85.1Confident79.4Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-59.2-41.8176.7-64.9-175.1000111.8F41 I305 S308 R320 G321 R326 I327 L328F41-L324 HydrophobicContact CE1-CD1 4.39Å; F41-L324 HydrophobicContact CE1-CD2 3.66Å; F41-L324 HydrophobicContact CE1-CG 3.99Å; F41-L324 HydrophobicContact CZ-CD2 3.65Å; F41-L324 HydrophobicContact CZ-CG 3.86Å; I305-L324 WeakPolarHBondContact CD1-O 3.47Å; S308-L324 VanDerWaalsContact OG-CD2 3.24Å; S308-L324 WeakPolarHBondContact OG-CD2 3.24Å; R320-L324 PolarHBondContact O-N 3.02Å; G321-L324 PolarHBondContact O-N 3.06Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.3Å; L324-I327 PolarHBondContact O-N 3.08Å; L324-L328 WeakPolarHBondContact O-CB 3.39Å; L324-L328 PolarHBondContact O-N 3.16Å
325R81.3Confident80Confident22 Ų2227.4 Ų27.48%0.08315%0.145CC..Hα-helixtrans-60.4-40174-177.3176.1-77.1175.67.7111.9P315 D316 N317 G321 Y322 V323 R329 E378P315-R325 HydrophobicContact CB-CB 3.93Å; P315-R325 HydrophobicContact CB-CG 4.5Å; P315-R325 PolarHBondContact O-NH2 2.94Å; D316-R325 VanDerWaalsContact CA-NH2 3.29Å; D316-R325 WeakPolarHBondContact O-CD 3.48Å; D316-R325 PolarHBondContact O-NE 2.91Å; D316-R325 PolarHBondContact O-NH1 3.48Å; N317-R325 PolarHBondContact OD1-NH1 3.41Å; G321-R325 WeakPolarHBondContact O-CB 3.47Å; G321-R325 PolarHBondContact O-N 3.12Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 3.3Å; V323-R325 VanDerWaalsContact C-N 3.28Å; V323-R325 PolarHBondContact O-N 2.93Å; R325-R329 HydrophobicContact CG-CG 4.39Å; R325-R329 WeakPolarHBondContact O-CB 3.45Å; R325-R329 WeakPolarHBondContact O-CG 3.13Å; R325-R329 PolarHBondContact O-N 3.01Å; R325-E378 IonicContact NE-OE2 2.7Å
326R80.7Confident80.4Confident43 Ų4329.4 Ų29.416%0.16215%0.154CC..Hα-helixtrans-62.1-51.4177.7-166.9-174.9163.8-163.5-4.4111.6L85 D86 Y322 V323 L324 L328 R329 R330 D423L85-R326 HydrophobicContact CD2-CG 4.15Å; D86-R326 VanDerWaalsContact CG-NH2 3.31Å; D86-R326 IonicContact OD1-CZ 3.63Å; D86-R326 IonicContact OD1-NH2 2.75Å; D86-R326 PolarHBondContact OD1-NH2 2.84Å; D86-R326 IonicContact OD2-CZ 2.72Å; D86-R326 IonicContact OD2-NH1 3.91Å; D86-R326 IonicContact OD2-NH2 3.51Å; D86-R326 PolarHBondContact OD2-NH2 3.42Å; D86-R326 VanDerWaalsContact OD2-NH2 3.09Å; Y322-R326 PolarHBondContact O-N 3.34Å; V323-R326 WeakPolarHBondContact O-CA 3.41Å; V323-R326 VanDerWaalsContact O-CB 3.26Å; V323-R326 WeakPolarHBondContact O-CB 3.4Å; V323-R326 PolarHBondContact O-N 2.95Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.3Å; R326-L328 PolarHBondContact O-N 2.97Å; R326-R329 PolarHBondContact O-N 3.37Å; R326-R330 WeakPolarHBondContact O-CB 3.31Å; R326-R330 PolarHBondContact O-N 3.31Å; R326-D423 WeakPolarHBondContact CD-OD2 3.45Å; R326-D423 WeakPolarHBondContact CG-OD2 3.44Å; R326-D423 IonicContact NE-OD1 2.84Å; R326-D423 IonicContact NE-OD2 3.49Å; R326-D423 PolarHBondContact NE-OD2 3.37Å
327I88.4Confident81.3Confident0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-57-50178.1-63.8172.5000110.4A78 L85 H301 T304 I305 V323 L324 R329 R330 A331A78-I327 HydrophobicContact CB-CD1 3.72Å; L85-I327 HydrophobicContact CD1-CG1 3.88Å; L85-I327 HydrophobicContact CD2-CG1 4.16Å; H301-I327 HydrophobicContact CB-CG2 3.72Å; H301-I327 PolarHBondContact CD2-O 3.28Å; H301-I327 VanDerWaalsContact CD2-O 3.29Å; H301-I327 VanDerWaalsContact CG-CG2 3.49Å; T304-I327 HydrophobicContact CG2-CD1 3.86Å; I305-I327 HydrophobicContact CD1-CB 3.94Å; I305-I327 HydrophobicContact CD1-CG2 3.78Å; I305-I327 HydrophobicContact CG1-CG2 3.85Å; V323-I327 HydrophobicContact CG1-CD1 4.09Å; V323-I327 HydrophobicContact CG1-CG1 4.45Å; V323-I327 WeakPolarHBondContact O-CG1 3.26Å; V323-I327 PolarHBondContact O-N 3.1Å; L324-I327 PolarHBondContact O-N 3.08Å; I327-R329 PolarHBondContact O-N 2.82Å; I327-R330 PolarHBondContact O-N 3.35Å; I327-A331 PolarHBondContact O-N 2.84Å
328L90.3Very high82.8Confident2 Ų228.9 Ų28.91%0.0115%0.145CC..Hα-helixtrans-61-46.5-179.5174.455.9000112.1I305 P315 L324 R326 R330 A331 V332 F346 I375 E378I305-L328 HydrophobicContact CD1-CB 3.85Å; I305-L328 HydrophobicContact CG1-CB 4.18Å; P315-L328 HydrophobicContact CG-CD2 4.42Å; L324-L328 WeakPolarHBondContact O-CB 3.39Å; L324-L328 PolarHBondContact O-N 3.16Å; R326-L328 PolarHBondContact O-N 2.97Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 2.8Å; L328-A331 PolarHBondContact O-N 3.48Å; L328-V332 HydrophobicContact CD1-CG2 3.89Å; L328-V332 HydrophobicContact CG-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CB 3.25Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.35Å; L328-F346 HydrophobicContact CD1-CD1 3.71Å; L328-F346 HydrophobicContact CD1-CE1 3.5Å; L328-I375 HydrophobicContact CD1-CG1 4.32Å; L328-I375 HydrophobicContact CD1-CG2 3.93Å; L328-E378 HydrophobicContact CD2-CB 3.44Å; L328-E378 VanDerWaalsContact CD2-CB 3.44Å; L328-E378 HydrophobicContact CD2-CG 3.8Å; L328-E378 HydrophobicContact CG-CB 4.46Å
329R85.3Confident84.5Confident26 Ų2624.6 Ų24.610%0.09812%0.119CC..Hα-helixtrans-63.9-38.5179.2-73.3177.8176.6-170.7-0.1112.2R325 R326 I327 R333 F382R325-R329 HydrophobicContact CG-CG 4.39Å; R325-R329 WeakPolarHBondContact O-CB 3.45Å; R325-R329 WeakPolarHBondContact O-CG 3.13Å; R325-R329 PolarHBondContact O-N 3.01Å; R326-R329 PolarHBondContact O-N 3.37Å; I327-R329 PolarHBondContact O-N 2.82Å; R329-R333 WeakPolarHBondContact O-CB 3.32Å; R329-R333 PolarHBondContact O-N 2.71Å; R329-F382 HydrophobicContact CB-CD1 4.21Å; R329-F382 HydrophobicContact CB-CD2 4.05Å; R329-F382 HydrophobicContact CB-CE1 4.06Å; R329-F382 HydrophobicContact CB-CE2 3.9Å; R329-F382 HydrophobicContact CB-CG 4.2Å; R329-F382 HydrophobicContact CB-CZ 3.9Å; R329-F382 VanDerWaalsContact CD-CD2 3.48Å; R329-F382 HydrophobicContact CG-CB 4.1Å; R329-F382 HydrophobicContact CG-CD1 4.08Å; R329-F382 HydrophobicContact CG-CD2 3.54Å; R329-F382 HydrophobicContact CG-CE1 4.39Å; R329-F382 HydrophobicContact CG-CE2 3.9Å; R329-F382 HydrophobicContact CG-CG 3.63Å; R329-F382 HydrophobicContact CG-CZ 4.31Å; R329-F382 WeakPolarHBondContact O-CE1 3.38Å
330R86.1Confident85.5Confident14 Ų1424.9 Ų24.95%0.05312%0.122CC..Hα-helixtrans-60.3-49.1173.8-174171.6-179.7-129.610.6110.5L85 V88 V297 H301 R326 I327 L328 R333 Y334L85-R330 VanDerWaalsContact O-CZ 3.24Å; L85-R330 PolarHBondContact O-NH1 2.83Å; L85-R330 PolarHBondContact O-NH2 2.88Å; V88-R330 PolarHBondContact O-NH1 3.28Å; V88-R330 PolarHBondContact O-NH2 2.99Å; V297-R330 HydrophobicContact CG1-CG 4.33Å; H301-R330 PolarHBondContact CE1-NH1 3.03Å; H301-R330 PolarHBondContact NE2-NH1 3.4Å; H301-R330 VanDerWaalsContact NE2-NH1 3.11Å; R326-R330 WeakPolarHBondContact O-CB 3.31Å; R326-R330 PolarHBondContact O-N 3.31Å; I327-R330 PolarHBondContact O-N 3.35Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 2.8Å; R330-R333 PolarHBondContact O-N 3.11Å; R330-Y334 HydrophobicContact CG-CD2 4.01Å; R330-Y334 HydrophobicContact CG-CE2 3.95Å; R330-Y334 VanDerWaalsContact O-CD2 3.29Å; R330-Y334 WeakPolarHBondContact O-CD2 3.18Å; R330-Y334 PolarHBondContact O-N 3.29Å; R330-Y334 VanDerWaalsContact O-N 3.09Å
331A91.7Very high86.2Confident0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-61.8-48.3179.100000112.8H301 I327 L328 R333 Y334 S335 F346H301-A331 HydrophobicContact CB-CB 3.7Å; I327-A331 PolarHBondContact O-N 2.84Å; L328-A331 PolarHBondContact O-N 3.48Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.38Å; A331-Y334 PolarHBondContact O-N 2.56Å; A331-S335 VanDerWaalsContact O-CB 3.31Å; A331-S335 WeakPolarHBondContact O-CB 3.43Å; A331-S335 PolarHBondContact O-N 3.45Å; A331-F346 HydrophobicContact CB-CD2 4.05Å; A331-F346 HydrophobicContact CB-CE1 3.98Å; A331-F346 HydrophobicContact CB-CE2 3.46Å; A331-F346 VanDerWaalsContact CB-CE2 3.46Å; A331-F346 HydrophobicContact CB-CZ 3.41Å; A331-F346 VanDerWaalsContact CB-CZ 3.41Å
332V90.8Very high86.9Confident0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-58.6-41.8176.9167.90000111.1L328 S335 H336 F346 E379 F382 L383L328-V332 HydrophobicContact CD1-CG2 3.89Å; L328-V332 HydrophobicContact CG-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CB 3.25Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.35Å; V332-S335 WeakPolarHBondContact O-CB 3.37Å; V332-S335 PolarHBondContact O-N 3.01Å; V332-H336 PolarHBondContact O-CD2 3.13Å; V332-H336 VanDerWaalsContact O-CD2 3.26Å; V332-H336 PolarHBondContact O-N 2.75Å; V332-F346 HydrophobicContact CG2-CB 4.49Å; V332-F346 HydrophobicContact CG2-CD1 4.22Å; V332-E379 HydrophobicContact CG1-CB 4.24Å; V332-E379 HydrophobicContact CG1-CG 3.73Å; V332-E379 HydrophobicContact CG2-CB 4.05Å; V332-E379 HydrophobicContact CG2-CG 4.26Å; V332-F382 HydrophobicContact CB-CD1 4.29Å; V332-F382 HydrophobicContact CG1-CD1 3.87Å; V332-F382 HydrophobicContact CG1-CE1 4.31Å; V332-L383 HydrophobicContact CG1-CD2 4.32Å; V332-L383 HydrophobicContact CG1-CG 4.45Å
333R85.8Confident87.8Confident3 Ų334.2 Ų34.21%0.01116%0.162CC..Hα-helixtrans-61.5-51.6176.8173.4170165.7-105.3-2.7111.9R329 R330 A331 S335 H336 E337 F382 L424 E431R329-R333 WeakPolarHBondContact O-CB 3.32Å; R329-R333 PolarHBondContact O-N 2.71Å; R330-R333 PolarHBondContact O-N 3.11Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.38Å; R333-S335 PolarHBondContact O-N 3.29Å; R333-H336 PolarHBondContact O-N 3.43Å; R333-E337 HydrophobicContact CG-CB 4.49Å; R333-E337 HydrophobicContact CG-CG 4.16Å; R333-E337 WeakPolarHBondContact CG-OE2 2.82Å; R333-E337 IonicContact CZ-OE2 2.87Å; R333-E337 IonicContact NE-OE2 2.67Å; R333-E337 PolarHBondContact NE-OE2 3.36Å; R333-E337 IonicContact NH2-OE2 2.73Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 PolarHBondContact O-N 3.01Å; R333-F382 HydrophobicContact CB-CE1 4.2Å; R333-L424 VanDerWaalsContact CD-CD1 3.41Å; R333-E431 IonicContact CZ-OE1 3.77Å; R333-E431 IonicContact NH2-OE1 3.16Å; R333-E431 PolarHBondContact NH2-OE1 3.2Å; R333-E431 IonicContact NH2-OE2 3.41Å; R333-E431 PolarHBondContact NH2-OE2 2.95Å
334Y89.7Confident88.3Confident7 Ų734.8 Ų34.83%0.02717%0.171CC..Iπ-helixtrans-59.1-39.1178.5-85.5-76000111.7M293 A294 V297 R330 A331 K338 L339 L427M293-Y334 HydrophobicContact CE-CE1 3.5Å; M293-Y334 WeakPolarHBondContact CE-OH 3.44Å; A294-Y334 HydrophobicContact CB-CD1 3.9Å; V297-Y334 HydrophobicContact CB-CD2 4.38Å; V297-Y334 HydrophobicContact CG1-CD2 3.78Å; V297-Y334 HydrophobicContact CG1-CE2 4.37Å; V297-Y334 HydrophobicContact CG1-CG 4.28Å; V297-Y334 HydrophobicContact CG2-CD2 4.49Å; V297-Y334 HydrophobicContact CG2-CE2 4.46Å; R330-Y334 HydrophobicContact CG-CD2 4.01Å; R330-Y334 HydrophobicContact CG-CE2 3.95Å; R330-Y334 VanDerWaalsContact O-CD2 3.29Å; R330-Y334 WeakPolarHBondContact O-CD2 3.18Å; R330-Y334 PolarHBondContact O-N 3.29Å; R330-Y334 VanDerWaalsContact O-N 3.09Å; A331-Y334 PolarHBondContact O-N 2.56Å; Y334-K338 HydrophobicContact CD1-CB 4.25Å; Y334-K338 HydrophobicContact CD1-CG 3.6Å; Y334-K338 HydrophobicContact CE1-CG 3.95Å; Y334-K338 WeakPolarHBondContact O-CB 3.41Å; Y334-K338 PolarHBondContact O-N 3.3Å; Y334-K338 VanDerWaalsContact O-N 3.12Å; Y334-L339 PolarHBondContact O-N 2.8Å; Y334-L427 HydrophobicContact CE2-CD1 4.33Å
335S92.4Very high88.9Confident0 Ų035.9 Ų35.90%018%0.176CC..Iπ-helixtrans-58.4-48.6176-176.40000112A331 V332 R333 G340 A341A331-S335 VanDerWaalsContact O-CB 3.31Å; A331-S335 WeakPolarHBondContact O-CB 3.43Å; A331-S335 PolarHBondContact O-N 3.45Å; V332-S335 WeakPolarHBondContact O-CB 3.37Å; V332-S335 PolarHBondContact O-N 3.01Å; R333-S335 PolarHBondContact O-N 3.29Å; S335-G340 PolarHBondContact O-N 3.01Å; S335-A341 WeakPolarHBondContact O-CB 3.44Å; S335-A341 PolarHBondContact O-N 3.49Å; S335-A341 VanDerWaalsContact OG-CB 3.28Å; S335-A341 WeakPolarHBondContact OG-CB 3.38Å
336H88.8Confident89.6Confident43 Ų4335 Ų3520%0.19917%0.173CC..Iπ-helixtrans-79.6-49.2-178.5-80.8-93.8000113.5V332 R333 G340 A341 E379V332-H336 PolarHBondContact O-CD2 3.13Å; V332-H336 VanDerWaalsContact O-CD2 3.26Å; V332-H336 PolarHBondContact O-N 2.75Å; R333-H336 PolarHBondContact O-N 3.43Å; H336-G340 WeakPolarHBondContact O-CA 3.42Å; H336-G340 PolarHBondContact O-N 3.05Å; H336-A341 PolarHBondContact CE1-O 3.06Å; H336-A341 PolarHBondContact ND1-O 3.07Å; H336-E379 IonicContact CD2-OE1 2.65Å; H336-E379 IonicContact CE1-OE1 3.5Å; H336-E379 IonicContact NE2-OE1 2.67Å; H336-E379 PolarHBondContact NE2-OE1 3.41Å
337E84.6Confident90.4Very high78 Ų7833 Ų3336%0.36417%0.166SC..Iπ-helixtrans-84.7-35-167.7-65.5-172166.200113.5R333R333-E337 HydrophobicContact CG-CB 4.49Å; R333-E337 HydrophobicContact CG-CG 4.16Å; R333-E337 WeakPolarHBondContact CG-OE2 2.82Å; R333-E337 IonicContact CZ-OE2 2.87Å; R333-E337 IonicContact NE-OE2 2.67Å; R333-E337 PolarHBondContact NE-OE2 3.36Å; R333-E337 IonicContact NH2-OE2 2.73Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 PolarHBondContact O-N 3.01Å
338K88.6Confident90.8Very high70 Ų7035.3 Ų35.330%0.30418%0.182SC..Iπ-helixtrans-97.5-37.8-178.7-59.8-62.9-177.9174.20112.5A294 Y334 E431A294-K338 HydrophobicContact CB-CB 3.96Å; Y334-K338 HydrophobicContact CD1-CB 4.25Å; Y334-K338 HydrophobicContact CD1-CG 3.6Å; Y334-K338 HydrophobicContact CE1-CG 3.95Å; Y334-K338 WeakPolarHBondContact O-CB 3.41Å; Y334-K338 PolarHBondContact O-N 3.3Å; Y334-K338 VanDerWaalsContact O-N 3.12Å; K338-E431 VanDerWaalsContact CE-OE1 3.29Å; K338-E431 WeakPolarHBondContact CE-OE1 3.29Å; K338-E431 IonicContact NZ-OE1 2.72Å; K338-E431 PolarHBondContact NZ-OE1 3.44Å
339L92.4Very high91.1Very high11 Ų1135.3 Ų35.36%0.05818%0.182CC..THydrogen-bonded Turntrans-100.6-9.4-176.8-59.8171.9000113.7I270 T274 A276 I291 A294 Y295 L298 Y334 A341I270-L339 HydrophobicContact CG2-CD1 3.75Å; T274-L339 HydrophobicContact CG2-CB 4Å; A276-L339 HydrophobicContact CB-CD2 3.87Å; I291-L339 HydrophobicContact CG2-CD2 4.04Å; A294-L339 HydrophobicContact CB-CD1 3.95Å; A294-L339 HydrophobicContact CB-CD2 3.96Å; A294-L339 HydrophobicContact CB-CG 3.79Å; Y295-L339 HydrophobicContact CE2-CD2 4.32Å; L298-L339 HydrophobicContact CD1-CD1 4.1Å; L298-L339 HydrophobicContact CD2-CD1 3.51Å; L298-L339 HydrophobicContact CG-CD1 4.38Å; Y334-L339 PolarHBondContact O-N 2.8Å; L339-A341 VanDerWaalsContact C-N 3.25Å; L339-A341 PolarHBondContact O-N 2.66Å
340G89Confident91.8Very high52 Ų5234.1 Ų34.154%0.53618%0.178SC..  trans67.822.5177.500000114.3S335 H336S335-G340 PolarHBondContact O-N 3.01Å; H336-G340 WeakPolarHBondContact O-CA 3.42Å; H336-G340 PolarHBondContact O-N 3.05Å
341A92Very high92.3Very high6 Ų636.8 Ų36.85%0.0519%0.193CC..PPolyproline II helixtrans-66.8149.8-177.800000112.5T274 S335 H336 L339 F345T274-A341 HydrophobicContact CG2-CB 3.73Å; S335-A341 WeakPolarHBondContact O-CB 3.44Å; S335-A341 PolarHBondContact O-N 3.49Å; S335-A341 VanDerWaalsContact OG-CB 3.28Å; S335-A341 WeakPolarHBondContact OG-CB 3.38Å; H336-A341 PolarHBondContact CE1-O 3.06Å; H336-A341 PolarHBondContact ND1-O 3.07Å; L339-A341 VanDerWaalsContact C-N 3.25Å; L339-A341 PolarHBondContact O-N 2.66Å; A341-F345 HydrophobicContact CB-CB 3.84Å; A341-F345 HydrophobicContact CB-CD1 3.54Å; A341-F345 HydrophobicContact CB-CE1 4.46Å; A341-F345 HydrophobicContact CB-CG 3.83Å
342Q90.3Very high92.6Very high153 Ų15337.9 Ų37.972%0.71520%0.199SC*.PPolyproline II helixtrans-75.9160.7172.6-64.2-63.3-35.200111.5F345Q342-F345 WeakPolarHBondContact O-CB 3.32Å; Q342-F345 PolarHBondContact O-N 3.45Å; Q342-F345 VanDerWaalsContact O-N 3.15Å
343R90.5Very high92.9Very high175 Ų17537.9 Ų37.966%0.6620%0.199SC*.THydrogen-bonded Turntrans-57.9141174.5-67.6-176.5-178.3170.41.7110.8F345 L383R343-F345 VanDerWaalsContact C-N 3.25Å; R343-F345 PolarHBondContact O-N 3.17Å; R343-L383 HydrophobicContact CG-CD1 3.82Å
344G91.3Very high93.5Very high26 Ų2638.4 Ų38.427%0.26820%0.203SC..THydrogen-bonded Turntrans82.3-6.2-175.800000114.5A347 S348 N376 E379G344-A347 PolarHBondContact O-N 3.35Å; G344-S348 PolarHBondContact O-N 3.42Å; G344-N376 WeakPolarHBondContact CA-OD1 3.16Å; G344-E379 WeakPolarHBondContact CA-OE2 3.25Å; G344-E379 PolarHBondContact N-OE2 3Å
345F96.6Very high93.8Very high23 Ų2344 Ų4410%0.10123%0.234CC..Hα-helixtrans-63-45.1179.9174.3-103.8000112.2I270 T274 L298 A341 Q342 R343 A347 S348 L349I270-F345 HydrophobicContact CG1-CZ 4.43Å; T274-F345 HydrophobicContact CG2-CD1 3.95Å; T274-F345 HydrophobicContact CG2-CE1 3.61Å; T274-F345 HydrophobicContact CG2-CZ 3.99Å; L298-F345 HydrophobicContact CD2-CE1 4.24Å; A341-F345 HydrophobicContact CB-CB 3.84Å; A341-F345 HydrophobicContact CB-CD1 3.54Å; A341-F345 HydrophobicContact CB-CE1 4.46Å; A341-F345 HydrophobicContact CB-CG 3.83Å; Q342-F345 WeakPolarHBondContact O-CB 3.32Å; Q342-F345 PolarHBondContact O-N 3.45Å; Q342-F345 VanDerWaalsContact O-N 3.15Å; R343-F345 VanDerWaalsContact C-N 3.25Å; R343-F345 PolarHBondContact O-N 3.17Å; F345-A347 VanDerWaalsContact C-N 3.27Å; F345-A347 PolarHBondContact O-N 3.44Å; F345-S348 WeakPolarHBondContact O-CB 3.35Å; F345-S348 PolarHBondContact O-N 3.01Å; F345-S348 PolarHBondContact O-OG 3Å; F345-L349 HydrophobicContact CE1-CD1 4.48Å; F345-L349 HydrophobicContact CZ-CD2 4.04Å; F345-L349 HydrophobicContact CZ-CG 4.4Å
346F97.1Very high93.9Very high3 Ų346.3 Ų46.31%0.01325%0.249CC..Hα-helixtrans-60.7-37.6-177.8-176.3-108.6000112.1L298 H301 A302 L328 A331 V332 S348 L349 I375L298-F346 HydrophobicContact CG-CD2 4.27Å; L298-F346 HydrophobicContact CG-CE2 4.43Å; H301-F346 HydrophobicContact CB-CZ 4.42Å; A302-F346 HydrophobicContact CB-CE2 4Å; A302-F346 HydrophobicContact CB-CZ 4.14Å; L328-F346 HydrophobicContact CD1-CD1 3.71Å; L328-F346 HydrophobicContact CD1-CE1 3.5Å; A331-F346 HydrophobicContact CB-CD2 4.05Å; A331-F346 HydrophobicContact CB-CE1 3.98Å; A331-F346 HydrophobicContact CB-CE2 3.46Å; A331-F346 VanDerWaalsContact CB-CE2 3.46Å; A331-F346 HydrophobicContact CB-CZ 3.41Å; A331-F346 VanDerWaalsContact CB-CZ 3.41Å; V332-F346 HydrophobicContact CG2-CB 4.49Å; V332-F346 HydrophobicContact CG2-CD1 4.22Å; F346-S348 PolarHBondContact O-N 2.96Å; F346-L349 HydrophobicContact CD2-CD1 3.98Å; F346-L349 HydrophobicContact CE2-CD1 4.22Å; F346-L349 WeakPolarHBondContact O-CB 3.43Å; F346-L349 PolarHBondContact O-N 3.28Å; F346-L349 VanDerWaalsContact O-N 3.11Å; F346-I375 HydrophobicContact CD1-CG2 3.73Å; F346-I375 HydrophobicContact CE1-CG2 4.38Å
347A96.8Very high94.2Very high2 Ų244.4 Ų44.42%0.01724%0.241CC..Hα-helixtrans-62.5-29.4174.400000113G344 F345 L349 V350 K372 I375 N376G344-A347 PolarHBondContact O-N 3.35Å; F345-A347 VanDerWaalsContact C-N 3.27Å; F345-A347 PolarHBondContact O-N 3.44Å; A347-L349 PolarHBondContact O-N 3.3Å; A347-V350 VanDerWaalsContact O-CB 3.24Å; A347-V350 WeakPolarHBondContact O-CB 3.44Å; A347-V350 WeakPolarHBondContact O-CG2 3.26Å; A347-V350 PolarHBondContact O-N 3.26Å; A347-V350 VanDerWaalsContact O-N 3.1Å; A347-K372 HydrophobicContact CB-CB 4.14Å; A347-K372 HydrophobicContact CB-CG 4.29Å; A347-I375 HydrophobicContact CB-CB 4.18Å; A347-I375 HydrophobicContact CB-CG2 3.76Å; A347-N376 WeakPolarHBondContact CB-OD1 3.5Å
348S96.5Very high94.7Very high48 Ų4840.7 Ų40.734%0.33622%0.223SC..Hα-helixtrans-65.2-20.3175.876.90000113.6G344 F345 F346 V350 D351G344-S348 PolarHBondContact O-N 3.42Å; F345-S348 WeakPolarHBondContact O-CB 3.35Å; F345-S348 PolarHBondContact O-N 3.01Å; F345-S348 PolarHBondContact O-OG 3Å; F346-S348 PolarHBondContact O-N 2.96Å; S348-V350 PolarHBondContact O-N 3.35Å; S348-D351 PolarHBondContact O-N 3.48Å
349L98Very high94.8Very high1 Ų143.5 Ų43.51%0.00524%0.242CC..Hα-helixtrans-70.7-15.4175-61.7-179.6000112.8A269 I270 L298 A302 F345 F346 A347 D351 V352 V353A269-L349 HydrophobicContact CB-CD2 4.01Å; I270-L349 HydrophobicContact CD1-CD1 4.37Å; I270-L349 HydrophobicContact CG1-CD1 4.06Å; I270-L349 HydrophobicContact CG1-CD2 4.01Å; L298-L349 HydrophobicContact CB-CD1 4.31Å; L298-L349 HydrophobicContact CD2-CD1 4.38Å; A302-L349 HydrophobicContact CB-CB 3.86Å; A302-L349 HydrophobicContact CB-CD1 4.14Å; F345-L349 HydrophobicContact CE1-CD1 4.48Å; F345-L349 HydrophobicContact CZ-CD2 4.04Å; F345-L349 HydrophobicContact CZ-CG 4.4Å; F346-L349 HydrophobicContact CD2-CD1 3.98Å; F346-L349 HydrophobicContact CE2-CD1 4.22Å; F346-L349 WeakPolarHBondContact O-CB 3.43Å; F346-L349 PolarHBondContact O-N 3.28Å; F346-L349 VanDerWaalsContact O-N 3.11Å; A347-L349 PolarHBondContact O-N 3.3Å; L349-D351 PolarHBondContact O-N 3.16Å; L349-V352 HydrophobicContact CD2-CG2 4.47Å; L349-V352 WeakPolarHBondContact O-CB 3.47Å; L349-V352 PolarHBondContact O-N 2.93Å; L349-V352 VanDerWaalsContact O-N 3.13Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.61Å; L349-V353 VanDerWaalsContact O-N 3.1Å
350V98.1Very high94.9Very high2 Ų243.8 Ų43.81%0.01225%0.246CC..Hα-helixtrans-56.4-40.4173.2173.60000110.6T306 A347 S348 V352 V353 V354 P368 V371 K372 I375T306-V350 HydrophobicContact CG2-CG1 3.99Å; A347-V350 VanDerWaalsContact O-CB 3.24Å; A347-V350 WeakPolarHBondContact O-CB 3.44Å; A347-V350 WeakPolarHBondContact O-CG2 3.26Å; A347-V350 PolarHBondContact O-N 3.26Å; A347-V350 VanDerWaalsContact O-N 3.1Å; S348-V350 PolarHBondContact O-N 3.35Å; V350-V352 VanDerWaalsContact C-N 3.3Å; V350-V352 PolarHBondContact O-N 3.27Å; V350-V353 WeakPolarHBondContact O-CB 3.42Å; V350-V353 PolarHBondContact O-N 2.85Å; V350-V353 VanDerWaalsContact O-N 3.11Å; V350-V354 HydrophobicContact CG1-CG2 4.34Å; V350-V354 WeakPolarHBondContact O-CG2 3.41Å; V350-V354 PolarHBondContact O-N 2.96Å; V350-P368 HydrophobicContact CG1-CB 4.23Å; V350-V371 HydrophobicContact CG1-CB 4.42Å; V350-V371 HydrophobicContact CG1-CG1 4.2Å; V350-V371 HydrophobicContact CG2-CG1 3.96Å; V350-K372 HydrophobicContact CB-CG 3.92Å; V350-K372 HydrophobicContact CG1-CG 4.16Å; V350-K372 HydrophobicContact CG2-CG 4Å; V350-I375 HydrophobicContact CG2-CD1 3.57Å
351D97.8Very high95.2Very high70 Ų7041.3 Ų41.337%0.37422%0.22SC..Hα-helixtrans-61.1-41.3178.6-66.2-42.9000111.4S348 L349 V353 V354 D355 K372S348-D351 PolarHBondContact O-N 3.48Å; L349-D351 PolarHBondContact O-N 3.16Å; D351-V353 VanDerWaalsContact C-N 3.31Å; D351-V353 PolarHBondContact O-N 3.39Å; D351-V354 PolarHBondContact O-N 3.04Å; D351-D355 WeakPolarHBondContact O-CB 3.38Å; D351-D355 PolarHBondContact O-N 3.33Å; D351-K372 WeakPolarHBondContact OD1-CE 3.49Å; D351-K372 IonicContact OD1-NZ 3.39Å; D351-K372 PolarHBondContact OD1-NZ 2.96Å; D351-K372 WeakPolarHBondContact OD2-CE 3.36Å; D351-K372 IonicContact OD2-NZ 3.6Å; D351-K372 PolarHBondContact OD2-NZ 3.35Å
352V97.9Very high95.3Very high22 Ų2244.4 Ų44.413%0.13324%0.24CC..Hα-helixtrans-65.3-36.3177.1-171.30000111.2P265 Y266 A269 L349 V350 S356P265-V352 HydrophobicContact CB-CG1 4.03Å; Y266-V352 HydrophobicContact CD1-CB 4.06Å; Y266-V352 HydrophobicContact CD1-CG1 3.66Å; Y266-V352 HydrophobicContact CD2-CG1 4.35Å; Y266-V352 HydrophobicContact CE1-CB 4.02Å; Y266-V352 HydrophobicContact CE1-CG1 3.76Å; Y266-V352 HydrophobicContact CE2-CG1 4.46Å; Y266-V352 HydrophobicContact CG-CG1 3.98Å; A269-V352 HydrophobicContact CB-CG2 3.69Å; L349-V352 HydrophobicContact CD2-CG2 4.47Å; L349-V352 WeakPolarHBondContact O-CB 3.47Å; L349-V352 PolarHBondContact O-N 2.93Å; L349-V352 VanDerWaalsContact O-N 3.13Å; V350-V352 VanDerWaalsContact C-N 3.3Å; V350-V352 PolarHBondContact O-N 3.27Å; V352-S356 VanDerWaalsContact O-CB 3.25Å; V352-S356 WeakPolarHBondContact O-CB 3.44Å; V352-S356 PolarHBondContact O-N 3.38Å; V352-S356 PolarHBondContact O-OG 3.46Å
353V97.9Very high95.2Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-65.9-45.2174.2-176.70000111.3Y266 A302 R303 T306 L349 V350 D351 D355 S356 L357 L364Y266-V353 HydrophobicContact CE1-CB 4.41Å; Y266-V353 HydrophobicContact CE1-CG2 3.57Å; Y266-V353 WeakPolarHBondContact OH-CA 3.46Å; A302-V353 HydrophobicContact CB-CG2 4.22Å; R303-V353 HydrophobicContact CG-CG2 4.39Å; T306-V353 HydrophobicContact CG2-CB 3.93Å; T306-V353 HydrophobicContact CG2-CG1 3.75Å; T306-V353 HydrophobicContact CG2-CG2 4.47Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.61Å; L349-V353 VanDerWaalsContact O-N 3.1Å; V350-V353 WeakPolarHBondContact O-CB 3.42Å; V350-V353 PolarHBondContact O-N 2.85Å; V350-V353 VanDerWaalsContact O-N 3.11Å; D351-V353 VanDerWaalsContact C-N 3.31Å; D351-V353 PolarHBondContact O-N 3.39Å; V353-D355 VanDerWaalsContact C-N 3.31Å; V353-D355 PolarHBondContact O-N 3.28Å; V353-S356 PolarHBondContact O-N 2.92Å; V353-L357 HydrophobicContact CG1-CD1 4.1Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 3.19Å; V353-L364 HydrophobicContact CG1-CD1 4.22Å
354V97.4Very high95.3Very high15 Ų1531 Ų319%0.09119%0.185CC..Hα-helixtrans-62.4-40.8178.6174.70000111V350 D351 G358 L364 R365 P368V350-V354 HydrophobicContact CG1-CG2 4.34Å; V350-V354 WeakPolarHBondContact O-CG2 3.41Å; V350-V354 PolarHBondContact O-N 2.96Å; D351-V354 PolarHBondContact O-N 3.04Å; V354-G358 WeakPolarHBondContact O-CA 3.4Å; V354-G358 PolarHBondContact O-N 3.17Å; V354-L364 HydrophobicContact CG2-CB 4.37Å; V354-R365 HydrophobicContact CG1-CG 3.71Å; V354-P368 HydrophobicContact CG2-CB 4.2Å; V354-P368 HydrophobicContact CG2-CG 4.08Å
355D95.9Very high95.3Very high125 Ų12535.1 Ų35.167%0.66819%0.192SC*.Hα-helixtrans-67.4-40.4176.8-73-16.6000112.1D351 V353D351-D355 WeakPolarHBondContact O-CB 3.38Å; D351-D355 PolarHBondContact O-N 3.33Å; V353-D355 VanDerWaalsContact C-N 3.31Å; V353-D355 PolarHBondContact O-N 3.28Å
356S93.6Very high94.9Very high47 Ų4740.7 Ų40.733%0.32922%0.216SC..Hα-helixtrans-81.4-35-174.6-54.80000113.5V352 V353V352-S356 VanDerWaalsContact O-CB 3.25Å; V352-S356 WeakPolarHBondContact O-CB 3.44Å; V352-S356 PolarHBondContact O-N 3.38Å; V352-S356 PolarHBondContact O-OG 3.46Å; V353-S356 PolarHBondContact O-N 2.92Å
357L95.7Very high94.3Very high4 Ų443.6 Ų43.62%0.02123%0.232CC..Hα-helixtrans-117.9-13.4-171.5-67.1-176.9000114.3F97 R303 I307 V353 D359 A360 F361 L364F97-L357 HydrophobicContact CE1-CD1 3.97Å; R303-L357 HydrophobicContact CG-CD1 4.4Å; I307-L357 HydrophobicContact CD1-CD1 3.87Å; V353-L357 HydrophobicContact CG1-CD1 4.1Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 3.19Å; L357-D359 PolarHBondContact O-N 2.73Å; L357-D359 VanDerWaalsContact O-N 3.12Å; L357-A360 PolarHBondContact O-N 2.99Å; L357-F361 HydrophobicContact CB-CD2 4.16Å; L357-F361 PolarHBondContact O-N 3.27Å; L357-L364 HydrophobicContact CB-CD1 3.76Å
358G94.6Very high94Very high0 Ų044.8 Ų44.80%024%0.24CC..THydrogen-bonded Turntrans-63.8-20.6-173.300000114.9V354 F361 P362 R365V354-G358 WeakPolarHBondContact O-CA 3.4Å; V354-G358 PolarHBondContact O-N 3.17Å; G358-F361 CarbonylContact O-C 3.31Å; G358-P362 VanDerWaalsContact O-CA 3.26Å; G358-P362 WeakPolarHBondContact O-CA 3.34Å; G358-R365 VanDerWaalsContact O-CZ 3.28Å; G358-R365 PolarHBondContact O-NH1 2.98Å
359D92.4Very high93.7Very high129 Ų12947.6 Ų47.669%0.6925%0.247SC*.THydrogen-bonded Turntrans-74.5-38.8172.9-74.2-24.1000112.4L357 R365L357-D359 PolarHBondContact O-N 2.73Å; L357-D359 VanDerWaalsContact O-N 3.12Å; D359-R365 IonicContact OD1-CZ 3.53Å; D359-R365 IonicContact OD1-NH1 2.86Å; D359-R365 PolarHBondContact OD1-NH1 3.3Å; D359-R365 IonicContact OD1-NH2 3.96Å; D359-R365 PolarHBondContact OD1-NH2 2.84Å; D359-R365 IonicContact OD2-NH2 2.95Å
360A93.3Very high93.2Very high17 Ų1750 Ų5014%0.1426%0.259CS..THydrogen-bonded Turntrans-74.5-34.5175.200000111.5H27 L357H27-A360 PolarHBondContact CE1-O 2.88Å; L357-A360 PolarHBondContact O-N 2.99Å
361F96.2Very high92.9Very high0 Ų049.9 Ų49.90%026%0.259CS..  trans-129.479.7-175.1-54.3-54.3000110.6T72 K74 F97 E99 L357 G358 E363 L364T72-F361 HydrophobicContact CG2-CE1 4.27Å; T72-F361 HydrophobicContact CG2-CZ 4.23Å; K74-F361 HydrophobicContact CD-CD1 3.7Å; K74-F361 HydrophobicContact CD-CD2 4.29Å; K74-F361 HydrophobicContact CD-CE1 3.94Å; K74-F361 HydrophobicContact CD-CE2 4.5Å; K74-F361 HydrophobicContact CD-CG 3.92Å; K74-F361 HydrophobicContact CD-CZ 4.34Å; K74-F361 HydrophobicContact CG-CD1 3.78Å; K74-F361 HydrophobicContact CG-CD2 4.24Å; K74-F361 HydrophobicContact CG-CE1 3.45Å; K74-F361 VanDerWaalsContact CG-CE1 3.45Å; K74-F361 HydrophobicContact CG-CE2 3.94Å; K74-F361 HydrophobicContact CG-CG 4.19Å; K74-F361 HydrophobicContact CG-CZ 3.55Å; F97-F361 HydrophobicContact CZ-CE2 4.43Å; E99-F361 HydrophobicContact CG-CE2 4Å; E99-F361 HydrophobicContact CG-CZ 3.92Å; L357-F361 HydrophobicContact CB-CD2 4.16Å; L357-F361 PolarHBondContact O-N 3.27Å; G358-F361 CarbonylContact O-C 3.31Å; F361-E363 WeakPolarHBondContact CA-OE2 3.47Å; F361-E363 WeakPolarHBondContact CB-OE1 3.49Å; F361-E363 PolarHBondContact O-N 3.41Å; F361-E363 VanDerWaalsContact O-N 3.15Å; F361-L364 HydrophobicContact CB-CD1 4.01Å; F361-L364 HydrophobicContact CB-CG 4.03Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 WeakPolarHBondContact O-CG 3.33Å; F361-L364 PolarHBondContact O-N 3.15Å; F361-L364 VanDerWaalsContact O-N 3.12Å
362P92.7Very high92.7Very high71 Ų7147.6 Ų47.646%0.46125%0.245SC..G310 helixtrans-58.2-26.3-174.9-25.736000115.1G358 L364 R365G358-P362 VanDerWaalsContact O-CA 3.26Å; G358-P362 WeakPolarHBondContact O-CA 3.34Å; P362-L364 PolarHBondContact O-N 2.89Å; P362-L364 VanDerWaalsContact O-N 3.17Å; P362-R365 WeakPolarHBondContact O-CB 3.43Å; P362-R365 PolarHBondContact O-N 3.28Å
363E88.1Confident92.1Very high46 Ų4651.4 Ų51.422%0.21527%0.265CS..G310 helixtrans-57-26.217663.8-83.8-163.100113.1H27 K74 F361 R365 K366H27-E363 IonicContact NE2-OE2 2.82Å; H27-E363 PolarHBondContact NE2-OE2 3Å; K74-E363 WeakPolarHBondContact CE-OE1 3.5Å; K74-E363 IonicContact NZ-OE1 3.57Å; K74-E363 PolarHBondContact NZ-OE1 3.12Å; F361-E363 WeakPolarHBondContact CA-OE2 3.47Å; F361-E363 WeakPolarHBondContact CB-OE1 3.49Å; F361-E363 PolarHBondContact O-N 3.41Å; F361-E363 VanDerWaalsContact O-N 3.15Å; E363-R365 PolarHBondContact O-N 3.49Å; E363-K366 WeakPolarHBondContact O-CB 3.5Å; E363-K366 PolarHBondContact O-N 3.43Å
364L92.5Very high91.3Very high1 Ų152.2 Ų52.21%0.00527%0.27CS..G310 helixtrans-62-25174.6-61.8-176.2000112.7T306 I307 S310 V353 V354 L357 F361 P362T306-L364 HydrophobicContact CG2-CD2 4.3Å; I307-L364 HydrophobicContact CG1-CD1 4.34Å; I307-L364 HydrophobicContact CG1-CD2 4Å; S310-L364 WeakPolarHBondContact OG-CD2 3.3Å; V353-L364 HydrophobicContact CG1-CD1 4.22Å; V354-L364 HydrophobicContact CG2-CB 4.37Å; L357-L364 HydrophobicContact CB-CD1 3.76Å; F361-L364 HydrophobicContact CB-CD1 4.01Å; F361-L364 HydrophobicContact CB-CG 4.03Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 WeakPolarHBondContact O-CG 3.33Å; F361-L364 PolarHBondContact O-N 3.15Å; F361-L364 VanDerWaalsContact O-N 3.12Å; P362-L364 PolarHBondContact O-N 2.89Å; P362-L364 VanDerWaalsContact O-N 3.17Å
365R92.8Very high91.1Very high112 Ų11251.5 Ų51.542%0.42327%0.265SS..G310 helixtrans-87-7.3-178.7-66173.5175147.5-7.2113.8V354 G358 D359 P362 E363V354-R365 HydrophobicContact CG1-CG 3.71Å; G358-R365 VanDerWaalsContact O-CZ 3.28Å; G358-R365 PolarHBondContact O-NH1 2.98Å; D359-R365 IonicContact OD1-CZ 3.53Å; D359-R365 IonicContact OD1-NH1 2.86Å; D359-R365 PolarHBondContact OD1-NH1 3.3Å; D359-R365 IonicContact OD1-NH2 3.96Å; D359-R365 PolarHBondContact OD1-NH2 2.84Å; D359-R365 IonicContact OD2-NH2 2.95Å; P362-R365 WeakPolarHBondContact O-CB 3.43Å; P362-R365 PolarHBondContact O-N 3.28Å; E363-R365 PolarHBondContact O-N 3.49Å
366K86.6Confident90.9Very high140 Ų14047.9 Ų47.961%0.60925%0.246SC*.SBendtrans-65.1-50.8-174-170.8-175.9-177.7-173.50112.1E363 F686E363-K366 WeakPolarHBondContact O-CB 3.5Å; E363-K366 PolarHBondContact O-N 3.43Å; K366-F686 VanDerWaalsContact NZ-CE1 3.3Å
367D85.1Confident90.3Very high63 Ų6350.9 Ų50.934%0.33726%0.255SS..  trans-15374.5178.7-169-5.6000112.5E369 M370D367-E369 VanDerWaalsContact C-N 3.26Å; D367-E369 PolarHBondContact O-N 3.37Å; D367-E369 PolarHBondContact OD1-N 2.93Å; D367-M370 HydrophobicContact CB-CB 4.27Å; D367-M370 WeakPolarHBondContact OD1-CB 3.49Å; D367-M370 PolarHBondContact OD1-N 3.18Å; D367-M370 WeakPolarHBondContact OD2-CB 3.44Å
368P91.1Very high89.7Confident28 Ų2850.8 Ų50.818%0.18225%0.254CS..Hα-helixtrans-62.7-30.2175.9-21.932.3000113.7V350 V354 V371 K372V350-P368 HydrophobicContact CG1-CB 4.23Å; V354-P368 HydrophobicContact CG2-CB 4.2Å; V354-P368 HydrophobicContact CG2-CG 4.08Å; P368-V371 WeakPolarHBondContact O-CB 3.34Å; P368-V371 PolarHBondContact O-N 3.1Å; P368-K372 WeakPolarHBondContact O-CG 3.41Å; P368-K372 PolarHBondContact O-N 2.89Å
369E89.6Confident89.4Confident107 Ų10751 Ų5150%0.526%0.255SS..Hα-helixtrans-69.7-40.4-177.2-69.7-58.3125.600111.4D367 V371 K372 D373D367-E369 VanDerWaalsContact C-N 3.26Å; D367-E369 PolarHBondContact O-N 3.37Å; D367-E369 PolarHBondContact OD1-N 2.93Å; E369-V371 VanDerWaalsContact C-N 3.28Å; E369-V371 PolarHBondContact O-N 3.27Å; E369-K372 WeakPolarHBondContact O-CB 3.39Å; E369-K372 PolarHBondContact O-N 2.91Å; E369-K372 VanDerWaalsContact O-N 3.17Å; E369-K372 IonicContact OE1-NZ 3.31Å; E369-K372 PolarHBondContact OE1-NZ 2.91Å; E369-D373 PolarHBondContact O-N 3.35Å
370M88.6Confident88.8Confident51 Ų5147.5 Ų47.525%0.25124%0.239SC..Hα-helixtrans-58.8-39.7171.8176.9-79.1-60.600112.3R314 D367 D373 V374R314-M370 VanDerWaalsContact NH2-CE 3.34Å; R314-M370 PolarHBondContact NH2-SD 2.94Å; D367-M370 HydrophobicContact CB-CB 4.27Å; D367-M370 WeakPolarHBondContact OD1-CB 3.49Å; D367-M370 PolarHBondContact OD1-N 3.18Å; D367-M370 WeakPolarHBondContact OD2-CB 3.44Å; M370-D373 PolarHBondContact O-N 3.33Å; M370-V374 WeakPolarHBondContact O-CG2 3.43Å; M370-V374 PolarHBondContact O-N 3.49Å; M370-V374 HydrophobicContact SD-CG2 4.01Å
371V90.2Very high87.8Confident0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-62.3-45.7175.9176.10000110.6T306 L309 V350 P368 E369 D373 V374 I375T306-V371 HydrophobicContact CG2-CG1 4.43Å; L309-V371 HydrophobicContact CB-CG1 4.06Å; L309-V371 HydrophobicContact CB-CG2 4.14Å; L309-V371 HydrophobicContact CD1-CG1 3.93Å; V350-V371 HydrophobicContact CG1-CB 4.42Å; V350-V371 HydrophobicContact CG1-CG1 4.2Å; V350-V371 HydrophobicContact CG2-CG1 3.96Å; P368-V371 WeakPolarHBondContact O-CB 3.34Å; P368-V371 PolarHBondContact O-N 3.1Å; E369-V371 VanDerWaalsContact C-N 3.28Å; E369-V371 PolarHBondContact O-N 3.27Å; V371-D373 PolarHBondContact O-N 3.44Å; V371-V374 PolarHBondContact O-N 3.42Å; V371-I375 HydrophobicContact CG1-CD1 4.01Å; V371-I375 VanDerWaalsContact O-CG1 3.31Å; V371-I375 WeakPolarHBondContact O-CG1 3.32Å; V371-I375 PolarHBondContact O-N 3.04Å; V371-I375 VanDerWaalsContact O-N 3.1Å
372K95.5Very high87Confident22 Ų2251.4 Ų51.410%0.09625%0.254CS..Hα-helixtrans-60.7-43.3175.9-68.3177-168.9169.10112.1A347 V350 D351 P368 E369 I375 N376A347-K372 HydrophobicContact CB-CB 4.14Å; A347-K372 HydrophobicContact CB-CG 4.29Å; V350-K372 HydrophobicContact CB-CG 3.92Å; V350-K372 HydrophobicContact CG1-CG 4.16Å; V350-K372 HydrophobicContact CG2-CG 4Å; D351-K372 WeakPolarHBondContact OD1-CE 3.49Å; D351-K372 IonicContact OD1-NZ 3.39Å; D351-K372 PolarHBondContact OD1-NZ 2.96Å; D351-K372 WeakPolarHBondContact OD2-CE 3.36Å; D351-K372 IonicContact OD2-NZ 3.6Å; D351-K372 PolarHBondContact OD2-NZ 3.35Å; P368-K372 WeakPolarHBondContact O-CG 3.41Å; P368-K372 PolarHBondContact O-N 2.89Å; E369-K372 WeakPolarHBondContact O-CB 3.39Å; E369-K372 PolarHBondContact O-N 2.91Å; E369-K372 VanDerWaalsContact O-N 3.17Å; E369-K372 IonicContact OE1-NZ 3.31Å; E369-K372 PolarHBondContact OE1-NZ 2.91Å; K372-I375 PolarHBondContact O-N 3.42Å; K372-N376 WeakPolarHBondContact O-CB 3.33Å; K372-N376 PolarHBondContact O-N 3.32Å; K372-N376 PolarHBondContact O-ND2 2.73Å
373D85Confident86.4Confident102 Ų10249 Ų4955%0.54524%0.237SC..Hα-helixtrans-60.5-46.3178.4-79-16.4000111.7E369 M370 V371 I375 N376 E377E369-D373 PolarHBondContact O-N 3.35Å; M370-D373 PolarHBondContact O-N 3.33Å; V371-D373 PolarHBondContact O-N 3.44Å; D373-I375 VanDerWaalsContact C-N 3.33Å; D373-I375 PolarHBondContact O-N 2.77Å; D373-N376 PolarHBondContact O-N 3.49Å; D373-E377 WeakPolarHBondContact O-CB 3.47Å; D373-E377 PolarHBondContact O-N 2.96Å
374V81.2Confident85.4Confident16 Ų1653.7 Ų53.710%0.09726%0.257CS..Hα-helixtrans-59.7-44.5176.9171.80000111.2L309 P315 M370 V371 E378L309-V374 HydrophobicContact CD1-CB 4.27Å; L309-V374 HydrophobicContact CD1-CG1 3.92Å; L309-V374 HydrophobicContact CD2-CG1 4.18Å; P315-V374 HydrophobicContact CG-CG1 4.16Å; M370-V374 WeakPolarHBondContact O-CG2 3.43Å; M370-V374 PolarHBondContact O-N 3.49Å; M370-V374 HydrophobicContact SD-CG2 4.01Å; V371-V374 PolarHBondContact O-N 3.42Å; V374-E378 PolarHBondContact O-N 3.3Å; V374-E378 VanDerWaalsContact O-N 3.08Å
375I93.4Very high84.1Confident1 Ų155.4 Ų55.41%0.00527%0.267CS..Hα-helixtrans-61.9-51177.4-70.5170.1000110.9I305 L309 L328 F346 A347 V350 V371 K372 D373 E377 E378 E379I305-I375 HydrophobicContact CG2-CD1 3.81Å; I305-I375 HydrophobicContact CG2-CG1 3.85Å; L309-I375 HydrophobicContact CD1-CD1 4.44Å; L309-I375 HydrophobicContact CD1-CG1 3.95Å; L328-I375 HydrophobicContact CD1-CG1 4.32Å; L328-I375 HydrophobicContact CD1-CG2 3.93Å; F346-I375 HydrophobicContact CD1-CG2 3.73Å; F346-I375 HydrophobicContact CE1-CG2 4.38Å; A347-I375 HydrophobicContact CB-CB 4.18Å; A347-I375 HydrophobicContact CB-CG2 3.76Å; V350-I375 HydrophobicContact CG2-CD1 3.57Å; V371-I375 HydrophobicContact CG1-CD1 4.01Å; V371-I375 VanDerWaalsContact O-CG1 3.31Å; V371-I375 WeakPolarHBondContact O-CG1 3.32Å; V371-I375 PolarHBondContact O-N 3.04Å; V371-I375 VanDerWaalsContact O-N 3.1Å; K372-I375 PolarHBondContact O-N 3.42Å; D373-I375 VanDerWaalsContact C-N 3.33Å; D373-I375 PolarHBondContact O-N 2.77Å; I375-E377 VanDerWaalsContact C-N 3.32Å; I375-E377 PolarHBondContact O-N 3.29Å; I375-E378 PolarHBondContact O-N 2.82Å; I375-E379 WeakPolarHBondContact O-CB 3.38Å; I375-E379 PolarHBondContact O-N 3.47Å
376N90.7Very high83.1Confident49 Ų4950.5 Ų50.526%0.26225%0.25SC..Hα-helixtrans-62.3-39.1-177.8-75.5-30.2000112.3G344 A347 K372 D373 T380G344-N376 WeakPolarHBondContact CA-OD1 3.16Å; A347-N376 WeakPolarHBondContact CB-OD1 3.5Å; K372-N376 WeakPolarHBondContact O-CB 3.33Å; K372-N376 PolarHBondContact O-N 3.32Å; K372-N376 PolarHBondContact O-ND2 2.73Å; D373-N376 PolarHBondContact O-N 3.49Å; N376-T380 WeakPolarHBondContact O-CB 3.22Å; N376-T380 PolarHBondContact O-N 3.11Å; N376-T380 PolarHBondContact O-OG1 3.49Å
377E81.2Confident82.1Confident110 Ų11047.3 Ų47.351%0.51425%0.245SC..Hα-helixtrans-68.7-44178.1-172-174.4171.200111.2D373 I375 T380 Q381 K747D373-E377 WeakPolarHBondContact O-CB 3.47Å; D373-E377 PolarHBondContact O-N 2.96Å; I375-E377 VanDerWaalsContact C-N 3.32Å; I375-E377 PolarHBondContact O-N 3.29Å; E377-T380 PolarHBondContact O-N 3.46Å; E377-Q381 PolarHBondContact O-N 3.4Å; E377-K747 VanDerWaalsContact CB-NZ 3.34Å; E377-K747 VanDerWaalsContact CG-NZ 3.33Å; E377-K747 WeakPolarHBondContact OE1-CE 3.35Å; E377-K747 IonicContact OE1-NZ 2.73Å; E377-K747 WeakPolarHBondContact OE2-CE 3.25Å; E377-K747 IonicContact OE2-NZ 3.57Å; E377-K747 PolarHBondContact OE2-NZ 3.45Å
378E82.5Confident81Confident2 Ų252.2 Ų52.21%0.00926%0.259CS..Hα-helixtrans-64.1-41.5173.9-80.9-51.212300112.5P315 R325 L328 V374 I375 T380 Q381 F382 K747P315-E378 HydrophobicContact CB-CG 3.96Å; P315-E378 HydrophobicContact CG-CG 3.92Å; R325-E378 IonicContact NE-OE2 2.7Å; L328-E378 HydrophobicContact CD2-CB 3.44Å; L328-E378 VanDerWaalsContact CD2-CB 3.44Å; L328-E378 HydrophobicContact CD2-CG 3.8Å; L328-E378 HydrophobicContact CG-CB 4.46Å; V374-E378 PolarHBondContact O-N 3.3Å; V374-E378 VanDerWaalsContact O-N 3.08Å; I375-E378 PolarHBondContact O-N 2.82Å; E378-T380 VanDerWaalsContact C-N 3.32Å; E378-T380 PolarHBondContact O-N 3.4Å; E378-Q381 PolarHBondContact O-N 2.91Å; E378-F382 WeakPolarHBondContact O-CB 3.47Å; E378-F382 PolarHBondContact O-N 3.46Å; E378-K747 VanDerWaalsContact OE1-CD 3.25Å; E378-K747 WeakPolarHBondContact OE1-CD 3.49Å; E378-K747 IonicContact OE1-NZ 2.83Å; E378-K747 PolarHBondContact OE1-NZ 3.24Å
379E88.8Confident79.7Confident3 Ų351 Ų511%0.01425%0.252CS..Hα-helixtrans-56.9-47.7174170.8178.3-141.100110.5V332 H336 G344 I375 Q381 F382 L383V332-E379 HydrophobicContact CG1-CB 4.24Å; V332-E379 HydrophobicContact CG1-CG 3.73Å; V332-E379 HydrophobicContact CG2-CB 4.05Å; V332-E379 HydrophobicContact CG2-CG 4.26Å; H336-E379 IonicContact CD2-OE1 2.65Å; H336-E379 IonicContact CE1-OE1 3.5Å; H336-E379 IonicContact NE2-OE1 2.67Å; H336-E379 PolarHBondContact NE2-OE1 3.41Å; G344-E379 WeakPolarHBondContact CA-OE2 3.25Å; G344-E379 PolarHBondContact N-OE2 3Å; I375-E379 WeakPolarHBondContact O-CB 3.38Å; I375-E379 PolarHBondContact O-N 3.47Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 PolarHBondContact O-N 2.93Å; E379-F382 PolarHBondContact O-N 2.87Å; E379-L383 HydrophobicContact CG-CD1 3.8Å; E379-L383 HydrophobicContact CG-CG 4.27Å; E379-L383 WeakPolarHBondContact O-CB 3.43Å; E379-L383 VanDerWaalsContact O-CG 3.29Å; E379-L383 WeakPolarHBondContact O-CG 3.31Å; E379-L383 PolarHBondContact O-N 3.31Å
380T80Confident78.8Confident57 Ų5751.6 Ų51.635%0.3525%0.249SC..Hα-helixtrans-60.3-43.4179.5-65.20000111.8N376 E377 E378 K384N376-T380 WeakPolarHBondContact O-CB 3.22Å; N376-T380 PolarHBondContact O-N 3.11Å; N376-T380 PolarHBondContact O-OG1 3.49Å; E377-T380 PolarHBondContact O-N 3.46Å; E378-T380 VanDerWaalsContact C-N 3.32Å; E378-T380 PolarHBondContact O-N 3.4Å; T380-K384 WeakPolarHBondContact O-CG 3.43Å; T380-K384 PolarHBondContact O-N 2.71Å
381Q71.2Confident77.8Confident96 Ų9658.1 Ų58.145%0.44927%0.271SS..Hα-helixtrans-69.2-43.7177.7-172.8173.62.600111.5E377 E378 E379 K384 T385E377-Q381 PolarHBondContact O-N 3.4Å; E378-Q381 PolarHBondContact O-N 2.91Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 PolarHBondContact O-N 2.93Å; Q381-K384 WeakPolarHBondContact O-CB 3.45Å; Q381-K384 PolarHBondContact O-N 3.05Å; Q381-T385 PolarHBondContact O-N 3.08Å; Q381-T385 PolarHBondContact O-OG1 3.29Å
382F80.3Confident76.6Confident2 Ų260.1 Ų60.11%0.00928%0.281CS..Hα-helixtrans-63.6-46.7-179.4174.7-121.8000112.1R329 V332 R333 E378 E379 K384 T385 L386 L424R329-F382 HydrophobicContact CB-CD1 4.21Å; R329-F382 HydrophobicContact CB-CD2 4.05Å; R329-F382 HydrophobicContact CB-CE1 4.06Å; R329-F382 HydrophobicContact CB-CE2 3.9Å; R329-F382 HydrophobicContact CB-CG 4.2Å; R329-F382 HydrophobicContact CB-CZ 3.9Å; R329-F382 VanDerWaalsContact CD-CD2 3.48Å; R329-F382 HydrophobicContact CG-CB 4.1Å; R329-F382 HydrophobicContact CG-CD1 4.08Å; R329-F382 HydrophobicContact CG-CD2 3.54Å; R329-F382 HydrophobicContact CG-CE1 4.39Å; R329-F382 HydrophobicContact CG-CE2 3.9Å; R329-F382 HydrophobicContact CG-CG 3.63Å; R329-F382 HydrophobicContact CG-CZ 4.31Å; R329-F382 WeakPolarHBondContact O-CE1 3.38Å; V332-F382 HydrophobicContact CB-CD1 4.29Å; V332-F382 HydrophobicContact CG1-CD1 3.87Å; V332-F382 HydrophobicContact CG1-CE1 4.31Å; R333-F382 HydrophobicContact CB-CE1 4.2Å; E378-F382 WeakPolarHBondContact O-CB 3.47Å; E378-F382 PolarHBondContact O-N 3.46Å; E379-F382 PolarHBondContact O-N 2.87Å; F382-K384 PolarHBondContact O-N 3.28Å; F382-T385 CarbonylContact O-C 3.48Å; F382-T385 PolarHBondContact O-N 2.9Å; F382-L386 HydrophobicContact CE1-CD2 4.05Å; F382-L386 HydrophobicContact CE2-CB 4.26Å; F382-L386 HydrophobicContact CE2-CD1 4.4Å; F382-L386 HydrophobicContact CZ-CB 4.26Å; F382-L386 HydrophobicContact CZ-CD1 3.99Å; F382-L386 HydrophobicContact CZ-CD2 4.15Å; F382-L386 HydrophobicContact CZ-CG 4.38Å; F382-L386 VanDerWaalsContact O-CB 3.31Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.35Å; F382-L424 HydrophobicContact CE2-CD2 3.76Å; F382-L424 HydrophobicContact CZ-CD2 3.86Å
383L79.4Confident75.5Confident22 Ų2259.1 Ų59.112%0.11528%0.277CS..Hα-helixtrans-61.4-34.1179.9-69.9175000112.2V332 R343 E379 L386 S387V332-L383 HydrophobicContact CG1-CD2 4.32Å; V332-L383 HydrophobicContact CG1-CG 4.45Å; R343-L383 HydrophobicContact CG-CD1 3.82Å; E379-L383 HydrophobicContact CG-CD1 3.8Å; E379-L383 HydrophobicContact CG-CG 4.27Å; E379-L383 WeakPolarHBondContact O-CB 3.43Å; E379-L383 VanDerWaalsContact O-CG 3.29Å; E379-L383 WeakPolarHBondContact O-CG 3.31Å; E379-L383 PolarHBondContact O-N 3.31Å; L383-L386 HydrophobicContact CD2-CD2 4.23Å; L383-S387 PolarHBondContact O-N 3.41Å
384K68.5Low75Confident144 Ų14455.9 Ų55.963%0.62626%0.259SS*.Hα-helixtrans-62.2-48.7171.5-71173.4-175.9174.30110.8T380 Q381 F382 S387T380-K384 WeakPolarHBondContact O-CG 3.43Å; T380-K384 PolarHBondContact O-N 2.71Å; Q381-K384 WeakPolarHBondContact O-CB 3.45Å; Q381-K384 PolarHBondContact O-N 3.05Å; F382-K384 PolarHBondContact O-N 3.28Å; K384-S387 PolarHBondContact O-OG 3.37Å
385T64.5Low74.7Confident36 Ų3663.4 Ų63.422%0.22129%0.286CS..Hα-helixtrans-67.3-42.9179.9-56.30000112.5Q381 F382 S387 R388 G389Q381-T385 PolarHBondContact O-N 3.08Å; Q381-T385 PolarHBondContact O-OG1 3.29Å; F382-T385 CarbonylContact O-C 3.48Å; F382-T385 PolarHBondContact O-N 2.9Å; T385-S387 PolarHBondContact O-N 2.95Å; T385-R388 PolarHBondContact O-N 3.27Å; T385-R388 VanDerWaalsContact O-N 3.16Å; T385-G389 PolarHBondContact O-N 3.17Å
386L71.6Confident73.5Confident10 Ų1067.7 Ų67.75%0.05231%0.305CS..Hα-helixtrans-56.6-48.7179.7179.966.7000111.3F382 L383 R388 G389 R390 F420 L424F382-L386 HydrophobicContact CE1-CD2 4.05Å; F382-L386 HydrophobicContact CE2-CB 4.26Å; F382-L386 HydrophobicContact CE2-CD1 4.4Å; F382-L386 HydrophobicContact CZ-CB 4.26Å; F382-L386 HydrophobicContact CZ-CD1 3.99Å; F382-L386 HydrophobicContact CZ-CD2 4.15Å; F382-L386 HydrophobicContact CZ-CG 4.38Å; F382-L386 VanDerWaalsContact O-CB 3.31Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.35Å; L383-L386 HydrophobicContact CD2-CD2 4.23Å; L386-R388 VanDerWaalsContact C-N 3.26Å; L386-R388 PolarHBondContact O-N 2.69Å; L386-G389 PolarHBondContact O-N 3.04Å; L386-R390 VanDerWaalsContact O-CB 3.27Å; L386-R390 WeakPolarHBondContact O-CB 3.36Å; L386-R390 PolarHBondContact O-N 3.08Å; L386-F420 HydrophobicContact CD1-CE2 4.09Å; L386-L424 HydrophobicContact CD1-CD2 3.77Å
387S66.1Low72.7Confident73 Ų7366.4 Ų66.451%0.5130%0.298SS..Hα-helixtrans-60.1-35.5179.472.90000113.2L383 K384 T385 R391L383-S387 PolarHBondContact O-N 3.41Å; K384-S387 PolarHBondContact O-OG 3.37Å; T385-S387 PolarHBondContact O-N 2.95Å; S387-R391 WeakPolarHBondContact O-CG 3.45Å
388R60.8Low72.4Confident166 Ų16668.9 Ų68.963%0.62631%0.311SS*.Hα-helixtrans-77.6-47.5178.3-174.8179178.5-176.3-1.2111.4T385 L386 R391 I392T385-R388 PolarHBondContact O-N 3.27Å; T385-R388 VanDerWaalsContact O-N 3.16Å; L386-R388 VanDerWaalsContact C-N 3.26Å; L386-R388 PolarHBondContact O-N 2.69Å; R388-R391 PolarHBondContact O-N 2.96Å; R388-I392 HydrophobicContact CG-CD1 4.34Å; R388-I392 WeakPolarHBondContact O-CG1 3.37Å; R388-I392 PolarHBondContact O-N 3.25Å
389G64.1Low72Confident3 Ų372.8 Ų72.83%0.03134%0.339CS..Hα-helixtrans-60.7-43.4179.600000112.2T385 L386 R391 I392 L393T385-G389 PolarHBondContact O-N 3.17Å; L386-G389 PolarHBondContact O-N 3.04Å; G389-R391 PolarHBondContact O-N 3.46Å; G389-I392 PolarHBondContact O-N 3.4Å; G389-I392 VanDerWaalsContact O-N 3.1Å; G389-L393 WeakPolarHBondContact O-CB 3.47Å; G389-L393 PolarHBondContact O-N 3.12Å
390R70.9Confident71.1Confident118 Ų11874.4 Ų74.445%0.44535%0.347SS..Hα-helixtrans-59.5-43.2176.6-168.1176.7-165.9-89.915.3112.7L386 I392 L393 D394L386-R390 VanDerWaalsContact O-CB 3.27Å; L386-R390 WeakPolarHBondContact O-CB 3.36Å; L386-R390 PolarHBondContact O-N 3.08Å; R390-I392 VanDerWaalsContact C-N 3.25Å; R390-I392 PolarHBondContact O-N 3.14Å; R390-L393 PolarHBondContact O-N 2.82Å; R390-D394 IonicContact CZ-OD2 3.92Å; R390-D394 IonicContact NH1-OD2 3.94Å; R390-D394 PolarHBondContact NH1-OD2 3.17Å; R390-D394 VanDerWaalsContact O-CB 3.23Å; R390-D394 WeakPolarHBondContact O-CB 3.45Å; R390-D394 VanDerWaalsContact O-CG 3.23Å; R390-D394 PolarHBondContact O-N 3.5Å
391R68.6Low70.6Confident188 Ų18874.6 Ų74.671%0.70936%0.361SS*.Hα-helixtrans-62.5-33.1176.7-71.5175.489.8173.77.1112.6S387 R388 G389 R395S387-R391 WeakPolarHBondContact O-CG 3.45Å; R388-R391 PolarHBondContact O-N 2.96Å; G389-R391 PolarHBondContact O-N 3.46Å; R391-R395 WeakPolarHBondContact O-CB 3.47Å; R391-R395 PolarHBondContact O-N 3.42Å
392I64.1Low70.7Confident42 Ų4278 Ų7822%0.21538%0.382CS..Hα-helixtrans-76.2-47.6178.3-63.1168.7000109.8R388 G389 R390 R395 K396 L414 Y418R388-I392 HydrophobicContact CG-CD1 4.34Å; R388-I392 WeakPolarHBondContact O-CG1 3.37Å; R388-I392 PolarHBondContact O-N 3.25Å; G389-I392 PolarHBondContact O-N 3.4Å; G389-I392 VanDerWaalsContact O-N 3.1Å; R390-I392 VanDerWaalsContact C-N 3.25Å; R390-I392 PolarHBondContact O-N 3.14Å; I392-R395 PolarHBondContact O-N 3.3Å; I392-K396 WeakPolarHBondContact O-CB 3.45Å; I392-K396 PolarHBondContact O-N 3.08Å; I392-L414 HydrophobicContact CB-CD2 4.35Å; I392-L414 HydrophobicContact CG2-CD2 3.94Å; I392-Y418 HydrophobicContact CD1-CD1 3.78Å; I392-Y418 HydrophobicContact CD1-CD2 4.22Å; I392-Y418 HydrophobicContact CD1-CE1 3.71Å; I392-Y418 HydrophobicContact CD1-CE2 4.16Å; I392-Y418 HydrophobicContact CD1-CG 4.03Å
393L72.5Confident70.6Confident1 Ų181 Ų811%0.00540%0.402CS..Hα-helixtrans-61.2-48.4177.8-17861.5000111.6G389 R390 R395 K396 I397 I406 L414 F420 T425 I428G389-L393 WeakPolarHBondContact O-CB 3.47Å; G389-L393 PolarHBondContact O-N 3.12Å; R390-L393 PolarHBondContact O-N 2.82Å; L393-R395 VanDerWaalsContact C-N 3.33Å; L393-R395 PolarHBondContact O-N 3.19Å; L393-K396 PolarHBondContact O-N 3.42Å; L393-K396 VanDerWaalsContact O-N 3.13Å; L393-I397 HydrophobicContact CD1-CD1 4Å; L393-I397 HydrophobicContact CD1-CG1 4.22Å; L393-I397 HydrophobicContact CG-CD1 3.86Å; L393-I397 HydrophobicContact CG-CG1 4.45Å; L393-I397 WeakPolarHBondContact O-CB 3.17Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.41Å; L393-I406 HydrophobicContact CD1-CD1 3.85Å; L393-L414 HydrophobicContact CD1-CD1 3.84Å; L393-F420 HydrophobicContact CD2-CE1 4.1Å; L393-T425 HydrophobicContact CD1-CG2 4.1Å; L393-I428 HydrophobicContact CD2-CB 3.92Å; L393-I428 HydrophobicContact CD2-CD1 4.07Å; L393-I428 HydrophobicContact CD2-CG2 3.61Å
394D75.6Confident70.8Confident34 Ų3487.1 Ų87.118%0.18243%0.428CS..Hα-helixtrans-57.7-45.4176.7-75.4-24.7000111.3R390 K396 I397 M398 K432R390-D394 IonicContact CZ-OD2 3.92Å; R390-D394 IonicContact NH1-OD2 3.94Å; R390-D394 PolarHBondContact NH1-OD2 3.17Å; R390-D394 VanDerWaalsContact O-CB 3.23Å; R390-D394 WeakPolarHBondContact O-CB 3.45Å; R390-D394 VanDerWaalsContact O-CG 3.23Å; R390-D394 PolarHBondContact O-N 3.5Å; D394-K396 VanDerWaalsContact C-N 3.32Å; D394-K396 PolarHBondContact O-N 3Å; D394-I397 PolarHBondContact O-N 3.5Å; D394-M398 WeakPolarHBondContact O-CB 3.42Å; D394-M398 VanDerWaalsContact O-CG 3.24Å; D394-M398 WeakPolarHBondContact O-CG 3.36Å; D394-M398 PolarHBondContact O-N 3.46Å; D394-K432 IonicContact OD1-NZ 2.8Å; D394-K432 PolarHBondContact OD1-NZ 3.2Å
395R73.6Confident71.6Confident175 Ų17583 Ų8366%0.6642%0.415SS*.Hα-helixtrans-63.1-39177.5-173.2-173.8-60.5167.40.4111.9R391 I392 L393 S399R391-R395 WeakPolarHBondContact O-CB 3.47Å; R391-R395 PolarHBondContact O-N 3.42Å; I392-R395 PolarHBondContact O-N 3.3Å; L393-R395 VanDerWaalsContact C-N 3.33Å; L393-R395 PolarHBondContact O-N 3.19Å; R395-S399 PolarHBondContact O-N 2.73Å; R395-S399 VanDerWaalsContact O-N 3.11Å
396K69.5Low72.4Confident90 Ų9081.4 Ų81.439%0.39141%0.405SS..Hα-helixtrans-74-40.4-179.2-162.772.4176.2-173.10111.5I392 L393 D394 M398 S399 L400 T410I392-K396 WeakPolarHBondContact O-CB 3.45Å; I392-K396 PolarHBondContact O-N 3.08Å; L393-K396 PolarHBondContact O-N 3.42Å; L393-K396 VanDerWaalsContact O-N 3.13Å; D394-K396 VanDerWaalsContact C-N 3.32Å; D394-K396 PolarHBondContact O-N 3Å; K396-M398 VanDerWaalsContact C-N 3.34Å; K396-M398 PolarHBondContact O-N 3.17Å; K396-S399 WeakPolarHBondContact CA-OG 3.43Å; K396-S399 CarbonylContact O-C 3.53Å; K396-S399 WeakPolarHBondContact O-CA 3.45Å; K396-S399 WeakPolarHBondContact O-CB 3.26Å; K396-S399 PolarHBondContact O-N 2.97Å; K396-S399 PolarHBondContact O-OG 3.39Å; K396-L400 WeakPolarHBondContact O-CG 3.26Å; K396-L400 PolarHBondContact O-N 3.2Å; K396-L400 VanDerWaalsContact O-N 3.12Å; K396-T410 HydrophobicContact CD-CG2 4.44Å; K396-T410 WeakPolarHBondContact CE-OG1 3.23Å; K396-T410 HydrophobicContact CG-CG2 3.68Å
397I73.5Confident73Confident23 Ų2382.9 Ų82.912%0.11842%0.415CS..Hα-helixtrans-57.8-46.6170.5-70.6172.2000110.4L393 D394 S399 L400 I406 K432 M434L393-I397 HydrophobicContact CD1-CD1 4Å; L393-I397 HydrophobicContact CD1-CG1 4.22Å; L393-I397 HydrophobicContact CG-CD1 3.86Å; L393-I397 HydrophobicContact CG-CG1 4.45Å; L393-I397 WeakPolarHBondContact O-CB 3.17Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.41Å; D394-I397 PolarHBondContact O-N 3.5Å; I397-S399 PolarHBondContact O-N 3.02Å; I397-L400 PolarHBondContact O-N 3.5Å; I397-I406 HydrophobicContact CD1-CD1 4.29Å; I397-I406 HydrophobicContact CG1-CD1 4.26Å; I397-K432 HydrophobicContact CD1-CD 4.01Å; I397-M434 HydrophobicContact CB-SD 4.38Å; I397-M434 HydrophobicContact CD1-SD 4.18Å; I397-M434 HydrophobicContact CG1-CE 4.42Å; I397-M434 HydrophobicContact CG1-SD 4.01Å; I397-M434 HydrophobicContact CG2-CE 4.4Å; I397-M434 HydrophobicContact CG2-SD 3.59Å; I397-M434 VanDerWaalsContact CG2-SD 3.59Å
398M74.9Confident73.7Confident162 Ų16279.5 Ų79.580%0.79839%0.392SS*.Hα-helixtrans-60-30174.8-71.5176.975.100113.1D394 K396D394-M398 WeakPolarHBondContact O-CB 3.42Å; D394-M398 VanDerWaalsContact O-CG 3.24Å; D394-M398 WeakPolarHBondContact O-CG 3.36Å; D394-M398 PolarHBondContact O-N 3.46Å; K396-M398 VanDerWaalsContact C-N 3.34Å; K396-M398 PolarHBondContact O-N 3.17Å
399S72.8Confident74.5Confident83 Ų8375.7 Ų75.758%0.5838%0.384SS*.Hα-helixtrans-80.5-14176.973.50000114.5R395 K396 I397R395-S399 PolarHBondContact O-N 2.73Å; R395-S399 VanDerWaalsContact O-N 3.11Å; K396-S399 WeakPolarHBondContact CA-OG 3.43Å; K396-S399 CarbonylContact O-C 3.53Å; K396-S399 WeakPolarHBondContact O-CA 3.45Å; K396-S399 WeakPolarHBondContact O-CB 3.26Å; K396-S399 PolarHBondContact O-N 2.97Å; K396-S399 PolarHBondContact O-OG 3.39Å; I397-S399 PolarHBondContact O-N 3.02Å
400L70.1Confident75Confident38 Ų3876 Ų7620%0.19939%0.385CS..Hα-helixtrans-86.5-8.8-178.9-73.8166.2000113.2K396 I397 D402 C403 P407 M434K396-L400 WeakPolarHBondContact O-CG 3.26Å; K396-L400 PolarHBondContact O-N 3.2Å; K396-L400 VanDerWaalsContact O-N 3.12Å; I397-L400 PolarHBondContact O-N 3.5Å; L400-D402 PolarHBondContact O-N 3.09Å; L400-C403 HydrophobicContact CB-CB 4.36Å; L400-C403 VanDerWaalsContact O-CB 3.22Å; L400-C403 WeakPolarHBondContact O-CB 3.09Å; L400-C403 PolarHBondContact O-N 3.48Å; L400-P407 HydrophobicContact CD2-CG 4.12Å; L400-M434 HydrophobicContact CD1-CE 4.41Å
401G69.8Low75.4Confident61 Ų6170.3 Ų70.363%0.62936%0.364SS*.THydrogen-bonded Turntrans60.9-130.6177.900000112.5C403G401-C403 PolarHBondContact O-N 3.01Å
402D74.4Confident75.8Confident168 Ų16863 Ų6390%0.89834%0.336SS*.THydrogen-bonded Turntrans-79.30178.2-66.9-34.4000113.9L400 K404L400-D402 PolarHBondContact O-N 3.09Å; D402-K404 PolarHBondContact O-N 3.12Å
403C77.4Confident75.9Confident64 Ų6464.6 Ų64.643%0.43235%0.345SS..  trans-69.6115.2178.2-171.10000109.9L400 G401 T405 M434L400-C403 HydrophobicContact CB-CB 4.36Å; L400-C403 VanDerWaalsContact O-CB 3.22Å; L400-C403 WeakPolarHBondContact O-CB 3.09Å; L400-C403 PolarHBondContact O-N 3.48Å; G401-C403 PolarHBondContact O-N 3.01Å; C403-T405 PolarHBondContact O-N 3.08Å; C403-M434 WeakPolarHBondContact O-CE 3.41Å
404K82.9Confident75.7Confident151 Ų15164.7 Ų64.766%0.65735%0.345SS*.  trans-80.95.1179.4-65.4-170177.3-172.90114.2D402 M434 E435D402-K404 PolarHBondContact O-N 3.12Å; K404-M434 CarbonylContact O-C 3.35Å; K404-M434 WeakPolarHBondContact O-CA 3.42Å; K404-M434 WeakPolarHBondContact O-CB 3.21Å; K404-E435 PolarHBondContact O-N 3.03Å
405T84.9Confident75.3Confident58 Ų5866 Ų6636%0.35635%0.348SS..EExtended strand (participates in β ladder)trans-121124.6-176.6-50.80000111.1C403 P407 E435 N437C403-T405 PolarHBondContact O-N 3.08Å; T405-P407 WeakPolarHBondContact O-CD 3Å; T405-E435 CarbonylContact C-O 3.52Å; T405-E435 VanDerWaalsContact CA-O 3.26Å; T405-E435 WeakPolarHBondContact CA-O 3.22Å; T405-N437 HydrophobicContact CG2-CB 3.98Å
406I83.1Confident74.8Confident1 Ų162.3 Ų62.31%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-78.7122.7172.1-57.1-173.4000108.6L393 I397 T410 T425 A429 M434 E435 V436 N437L393-I406 HydrophobicContact CD1-CD1 3.85Å; I397-I406 HydrophobicContact CD1-CD1 4.29Å; I397-I406 HydrophobicContact CG1-CD1 4.26Å; I406-T410 HydrophobicContact CG2-CG2 4.04Å; I406-T425 HydrophobicContact CD1-CG2 4.36Å; I406-A429 HydrophobicContact CD1-CB 3.67Å; I406-A429 HydrophobicContact CG1-CB 4.41Å; I406-M434 HydrophobicContact CG1-CE 4.01Å; I406-E435 PolarHBondContact N-O 3.35Å; I406-V436 HydrophobicContact CB-CG2 4.15Å; I406-V436 HydrophobicContact CD1-CG2 4.26Å; I406-N437 PolarHBondContact O-N 3.3Å
407P83.3Confident74Confident42 Ų4261.9 Ų61.927%0.27335%0.347SS..  trans-59.9145.9177.7-28.939.1000113.9L400 T405 D409 T410 A411L400-P407 HydrophobicContact CD2-CG 4.12Å; T405-P407 WeakPolarHBondContact O-CD 3Å; P407-D409 WeakPolarHBondContact CB-OD1 3.37Å; P407-D409 PolarHBondContact O-N 2.83Å; P407-T410 WeakPolarHBondContact O-CB 3.22Å; P407-T410 PolarHBondContact O-N 3.3Å; P407-A411 PolarHBondContact O-N 3.31Å; P407-A411 VanDerWaalsContact O-N 3.09Å
408G81Confident73.1Confident2 Ų264.6 Ų64.62%0.02136%0.356CS..Hα-helixtrans-63.1-35.6-178.800000114.2T410 A411 W412G408-T410 VanDerWaalsContact C-N 3.29Å; G408-T410 PolarHBondContact O-N 3.04Å; G408-A411 PolarHBondContact O-N 2.63Å; G408-W412 WeakPolarHBondContact O-CB 3.47Å; G408-W412 PolarHBondContact O-N 3.21Å
409D77.4Confident72Confident86 Ų8658.7 Ų58.746%0.4634%0.337SS..Hα-helixtrans-62.3-36174.970.9-30.6000112.4P407 W412 L413P407-D409 WeakPolarHBondContact CB-OD1 3.37Å; P407-D409 PolarHBondContact O-N 2.83Å; D409-W412 PolarHBondContact O-N 3.44Å; D409-L413 VanDerWaalsContact O-CB 3.27Å; D409-L413 WeakPolarHBondContact O-CB 3.35Å; D409-L413 PolarHBondContact O-N 3.02Å
410T74.4Confident71.5Confident8 Ų854.8 Ų54.85%0.04931%0.309CS..Hα-helixtrans-72.7-44178-65.90000110.2K396 I406 P407 G408 W412 L413 L414K396-T410 HydrophobicContact CD-CG2 4.44Å; K396-T410 WeakPolarHBondContact CE-OG1 3.23Å; K396-T410 HydrophobicContact CG-CG2 3.68Å; I406-T410 HydrophobicContact CG2-CG2 4.04Å; P407-T410 WeakPolarHBondContact O-CB 3.22Å; P407-T410 PolarHBondContact O-N 3.3Å; G408-T410 VanDerWaalsContact C-N 3.29Å; G408-T410 PolarHBondContact O-N 3.04Å; T410-W412 VanDerWaalsContact C-N 3.3Å; T410-L413 PolarHBondContact O-N 3.41Å; T410-L414 HydrophobicContact CG2-CD1 4.4Å; T410-L414 WeakPolarHBondContact O-CB 3.44Å; T410-L414 VanDerWaalsContact O-CG 3.28Å; T410-L414 WeakPolarHBondContact O-CG 3.47Å; T410-L414 PolarHBondContact O-N 3.04Å
411A79.1Confident71.2Confident0 Ų053.3 Ų53.30%030%0.302CS..Hα-helixtrans-63.1-3817300000111.4P407 G408 L414 Y415 L422 V436 F441P407-A411 PolarHBondContact O-N 3.31Å; P407-A411 VanDerWaalsContact O-N 3.09Å; G408-A411 PolarHBondContact O-N 2.63Å; A411-L414 PolarHBondContact O-N 2.89Å; A411-Y415 WeakPolarHBondContact O-CB 3.24Å; A411-Y415 PolarHBondContact O-N 2.74Å; A411-L422 HydrophobicContact CB-CD1 3.86Å; A411-V436 HydrophobicContact CB-CG1 3.72Å; A411-F441 HydrophobicContact CB-CD2 3.76Å; A411-F441 HydrophobicContact CB-CE2 4.48Å
412W77.5Confident71.2Confident33 Ų3351.6 Ų51.613%0.12528%0.278CS..Hα-helixtrans-67.2-45.1175.3178.2-108.2000111.9G408 D409 T410 L414 Y415 D416 F441 E444 K445 A448G408-W412 WeakPolarHBondContact O-CB 3.47Å; G408-W412 PolarHBondContact O-N 3.21Å; D409-W412 PolarHBondContact O-N 3.44Å; T410-W412 VanDerWaalsContact C-N 3.3Å; W412-L414 VanDerWaalsContact C-N 3.3Å; W412-L414 PolarHBondContact O-N 3.29Å; W412-Y415 AromaticContact CE3-CD1 3.8Å; W412-Y415 HydrophobicContact CE3-CD1 3.8Å; W412-Y415 HydrophobicContact CE3-CE1 4.47Å; W412-Y415 HydrophobicContact CH2-CD1 4.08Å; W412-Y415 HydrophobicContact CH2-CE1 4.16Å; W412-Y415 AromaticContact CZ3-CD1 3.43Å; W412-Y415 HydrophobicContact CZ3-CD1 3.43Å; W412-Y415 VanDerWaalsContact CZ3-CD1 3.43Å; W412-Y415 AromaticContact CZ3-CE1 3.68Å; W412-Y415 HydrophobicContact CZ3-CE1 3.68Å; W412-Y415 HydrophobicContact CZ3-CG 4.49Å; W412-Y415 CarbonylContact O-C 3.25Å; W412-Y415 WeakPolarHBondContact O-CA 3.44Å; W412-Y415 WeakPolarHBondContact O-CB 3.09Å; W412-Y415 PolarHBondContact O-N 3.43Å; W412-Y415 VanDerWaalsContact O-N 3.1Å; W412-D416 HydrophobicContact CD2-CB 4.16Å; W412-D416 HydrophobicContact CH2-CB 4.31Å; W412-D416 HydrophobicContact CZ2-CB 3.75Å; W412-D416 WeakPolarHBondContact O-CB 3.31Å; W412-D416 PolarHBondContact O-N 3.36Å; W412-F441 HydrophobicContact CB-CD2 4.06Å; W412-F441 HydrophobicContact CB-CE2 4.26Å; W412-F441 HydrophobicContact CE3-CD2 4.39Å; W412-F441 AromaticContact CE3-CE2 3.8Å; W412-F441 HydrophobicContact CE3-CE2 3.8Å; W412-F441 AromaticContact CE3-CZ 3.86Å; W412-F441 HydrophobicContact CE3-CZ 3.86Å; W412-F441 HydrophobicContact CZ3-CZ 4.26Å; W412-E444 HydrophobicContact CB-CB 3.96Å; W412-E444 HydrophobicContact CD2-CB 4.34Å; W412-E444 HydrophobicContact CG-CB 3.83Å; W412-K445 HydrophobicContact CE3-CB 3.71Å; W412-K445 HydrophobicContact CE3-CG 4.31Å; W412-K445 HydrophobicContact CH2-CB 3.96Å; W412-K445 HydrophobicContact CH2-CG 3.89Å; W412-K445 HydrophobicContact CZ3-CB 3.36Å; W412-K445 HydrophobicContact CZ3-CD 3.96Å; W412-K445 HydrophobicContact CZ3-CG 3.47Å; W412-K445 VanDerWaalsContact CZ3-CG 3.47Å; W412-A448 HydrophobicContact CH2-CB 4.22Å; W412-A448 HydrophobicContact CZ2-CB 3.47Å; W412-A448 VanDerWaalsContact CZ2-CB 3.47Å
413L67.3Low70.8Confident76 Ų7645 Ų4540%0.39824%0.243SC..Hα-helixtrans-59-43.3175.2177.970.6000111.6D409 T410 Y415 T417 Y418D409-L413 VanDerWaalsContact O-CB 3.27Å; D409-L413 WeakPolarHBondContact O-CB 3.35Å; D409-L413 PolarHBondContact O-N 3.02Å; T410-L413 PolarHBondContact O-N 3.41Å; L413-Y415 VanDerWaalsContact C-N 3.31Å; L413-T417 HydrophobicContact CD1-CG2 4.24Å; L413-T417 WeakPolarHBondContact CD1-OG1 3.48Å; L413-T417 VanDerWaalsContact O-CB 3.29Å; L413-T417 WeakPolarHBondContact O-CB 3.32Å; L413-T417 PolarHBondContact O-N 3.25Å; L413-Y418 HydrophobicContact CD1-CE2 4.18Å; L413-Y418 HydrophobicContact CD2-CE2 4.14Å; L413-Y418 HydrophobicContact CG-CD2 4.23Å; L413-Y418 HydrophobicContact CG-CE2 3.82Å; L413-Y418 WeakPolarHBondContact O-CD2 3.11Å; L413-Y418 PolarHBondContact O-N 2.96Å
414L68.1Low70.3Confident3 Ų342.4 Ų42.42%0.01623%0.225CC..Hα-helixtrans-59.7-44.6174.5-76.5171.6000110.8I392 L393 T410 A411 W412 Y418 G419 F420 T425I392-L414 HydrophobicContact CB-CD2 4.35Å; I392-L414 HydrophobicContact CG2-CD2 3.94Å; L393-L414 HydrophobicContact CD1-CD1 3.84Å; T410-L414 HydrophobicContact CG2-CD1 4.4Å; T410-L414 WeakPolarHBondContact O-CB 3.44Å; T410-L414 VanDerWaalsContact O-CG 3.28Å; T410-L414 WeakPolarHBondContact O-CG 3.47Å; T410-L414 PolarHBondContact O-N 3.04Å; A411-L414 PolarHBondContact O-N 2.89Å; W412-L414 VanDerWaalsContact C-N 3.3Å; W412-L414 PolarHBondContact O-N 3.29Å; L414-Y418 HydrophobicContact CD2-CD2 4.43Å; L414-Y418 CarbonylContact O-C 3.56Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 3.49Å; L414-G419 PolarHBondContact O-N 3.17Å; L414-F420 CarbonylContact C-O 3.42Å; L414-F420 HydrophobicContact CB-CB 4.09Å; L414-F420 HydrophobicContact CB-CD1 4.32Å; L414-F420 HydrophobicContact CD1-CD1 4.49Å; L414-F420 HydrophobicContact CD2-CB 4.42Å; L414-F420 HydrophobicContact CD2-CD1 4.44Å; L414-F420 WeakPolarHBondContact O-CA 3.23Å; L414-F420 VanDerWaalsContact O-CB 3.26Å; L414-F420 WeakPolarHBondContact O-CB 3.39Å; L414-F420 PolarHBondContact O-N 3.12Å; L414-T425 HydrophobicContact CD1-CG2 3.98Å
415Y66.9Low69.8Low61 Ų6135.2 Ų35.224%0.23919%0.193CC..Hα-helixtrans-66.4-59.8178.1-179.8-92.7000113.4Y322 A411 W412 L413 G419 F420 F441Y322-Y415 HydrophobicContact CE2-CE2 4.17Å; A411-Y415 WeakPolarHBondContact O-CB 3.24Å; A411-Y415 PolarHBondContact O-N 2.74Å; W412-Y415 AromaticContact CE3-CD1 3.8Å; W412-Y415 HydrophobicContact CE3-CD1 3.8Å; W412-Y415 HydrophobicContact CE3-CE1 4.47Å; W412-Y415 HydrophobicContact CH2-CD1 4.08Å; W412-Y415 HydrophobicContact CH2-CE1 4.16Å; W412-Y415 AromaticContact CZ3-CD1 3.43Å; W412-Y415 HydrophobicContact CZ3-CD1 3.43Å; W412-Y415 VanDerWaalsContact CZ3-CD1 3.43Å; W412-Y415 AromaticContact CZ3-CE1 3.68Å; W412-Y415 HydrophobicContact CZ3-CE1 3.68Å; W412-Y415 HydrophobicContact CZ3-CG 4.49Å; W412-Y415 CarbonylContact O-C 3.25Å; W412-Y415 WeakPolarHBondContact O-CA 3.44Å; W412-Y415 WeakPolarHBondContact O-CB 3.09Å; W412-Y415 PolarHBondContact O-N 3.43Å; W412-Y415 VanDerWaalsContact O-N 3.1Å; L413-Y415 VanDerWaalsContact C-N 3.31Å; Y415-G419 VanDerWaalsContact O-CA 3.23Å; Y415-G419 WeakPolarHBondContact O-CA 3.48Å; Y415-G419 PolarHBondContact O-N 3.08Å; Y415-G419 VanDerWaalsContact O-N 3.14Å; Y415-F420 VanDerWaalsContact CA-O 3.25Å; Y415-F420 WeakPolarHBondContact CA-O 3.22Å; Y415-F420 PolarHBondContact N-O 3.2Å; Y415-F441 HydrophobicContact CD1-CE2 4.5Å; Y415-F441 HydrophobicContact CD1-CZ 4.15Å; Y415-F441 HydrophobicContact CD2-CZ 4.1Å; Y415-F441 HydrophobicContact CG-CE2 4.03Å; Y415-F441 AromaticContact CG-CZ 3.85Å; Y415-F441 HydrophobicContact CG-CZ 3.85Å
416D62.1Low69.3Low98 Ų9834.1 Ų34.152%0.52419%0.188SC..Hα-helixtrans-75.8-49.1-170.5-179.464000112.6W412W412-D416 HydrophobicContact CD2-CB 4.16Å; W412-D416 HydrophobicContact CH2-CB 4.31Å; W412-D416 HydrophobicContact CZ2-CB 3.75Å; W412-D416 WeakPolarHBondContact O-CB 3.31Å; W412-D416 PolarHBondContact O-N 3.36Å
417T53.8Low68.5Low82 Ų8235.4 Ų35.450%0.50320%0.195SC..THydrogen-bonded Turntrans-85.9-34.8-174.2-60.40000112.9L413L413-T417 HydrophobicContact CD1-CG2 4.24Å; L413-T417 WeakPolarHBondContact CD1-OG1 3.48Å; L413-T417 VanDerWaalsContact O-CB 3.29Å; L413-T417 WeakPolarHBondContact O-CB 3.32Å; L413-T417 PolarHBondContact O-N 3.25Å
418Y53.8Low68.1Low80 Ų8033.8 Ų33.831%0.31418%0.184SC..THydrogen-bonded Turntrans-109.1-2.7-174-60-70.4000114I392 L413 L414 F420I392-Y418 HydrophobicContact CD1-CD1 3.78Å; I392-Y418 HydrophobicContact CD1-CD2 4.22Å; I392-Y418 HydrophobicContact CD1-CE1 3.71Å; I392-Y418 HydrophobicContact CD1-CE2 4.16Å; I392-Y418 HydrophobicContact CD1-CG 4.03Å; L413-Y418 HydrophobicContact CD1-CE2 4.18Å; L413-Y418 HydrophobicContact CD2-CE2 4.14Å; L413-Y418 HydrophobicContact CG-CD2 4.23Å; L413-Y418 HydrophobicContact CG-CE2 3.82Å; L413-Y418 WeakPolarHBondContact O-CD2 3.11Å; L413-Y418 PolarHBondContact O-N 2.96Å; L414-Y418 HydrophobicContact CD2-CD2 4.43Å; L414-Y418 CarbonylContact O-C 3.56Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 3.49Å; Y418-F420 PolarHBondContact O-N 2.88Å
419G51.2Low67.9Low38 Ų3833.7 Ų33.739%0.39218%0.183SC..  trans63.322.1-179.800000113.4L414 Y415 P421L414-G419 PolarHBondContact O-N 3.17Å; Y415-G419 VanDerWaalsContact O-CA 3.23Å; Y415-G419 WeakPolarHBondContact O-CA 3.48Å; Y415-G419 PolarHBondContact O-N 3.08Å; Y415-G419 VanDerWaalsContact O-N 3.14Å; G419-P421 WeakPolarHBondContact O-CD 3.32Å
420F64.1Low67.8Low0 Ų035 Ų350%019%0.186CC..  trans-90.5110.1-177.2-163.7-101.5000109.3L386 L393 L414 Y415 Y418 L424 T425 I428L386-F420 HydrophobicContact CD1-CE2 4.09Å; L393-F420 HydrophobicContact CD2-CE1 4.1Å; L414-F420 CarbonylContact C-O 3.42Å; L414-F420 HydrophobicContact CB-CB 4.09Å; L414-F420 HydrophobicContact CB-CD1 4.32Å; L414-F420 HydrophobicContact CD1-CD1 4.49Å; L414-F420 HydrophobicContact CD2-CB 4.42Å; L414-F420 HydrophobicContact CD2-CD1 4.44Å; L414-F420 WeakPolarHBondContact O-CA 3.23Å; L414-F420 VanDerWaalsContact O-CB 3.26Å; L414-F420 WeakPolarHBondContact O-CB 3.39Å; L414-F420 PolarHBondContact O-N 3.12Å; Y415-F420 VanDerWaalsContact CA-O 3.25Å; Y415-F420 WeakPolarHBondContact CA-O 3.22Å; Y415-F420 PolarHBondContact N-O 3.2Å; Y418-F420 PolarHBondContact O-N 2.88Å; F420-L424 HydrophobicContact CD2-CD2 4.07Å; F420-L424 HydrophobicContact CE1-CB 4.33Å; F420-L424 HydrophobicContact CE1-CD2 4.07Å; F420-L424 HydrophobicContact CE1-CG 4.04Å; F420-L424 HydrophobicContact CE2-CD2 3.4Å; F420-L424 VanDerWaalsContact CE2-CD2 3.4Å; F420-L424 HydrophobicContact CE2-CG 4.2Å; F420-L424 HydrophobicContact CZ-CB 4.41Å; F420-L424 HydrophobicContact CZ-CD2 3.4Å; F420-L424 HydrophobicContact CZ-CG 3.65Å; F420-T425 VanDerWaalsContact CD1-OG1 3.27Å; F420-T425 WeakPolarHBondContact CD1-OG1 3.32Å; F420-I428 HydrophobicContact CE1-CD1 4.27Å; F420-I428 HydrophobicContact CZ-CD1 3.73Å
421P62.9Low67.6Low8 Ų838.9 Ų38.95%0.05220%0.204CC..  trans-60.6146.3-169.4-25.736.5000113.8G419 D423 L424 T425G419-P421 WeakPolarHBondContact O-CD 3.32Å; P421-D423 VanDerWaalsContact C-N 3.33Å; P421-D423 WeakPolarHBondContact CB-OD1 3.28Å; P421-D423 PolarHBondContact O-N 3.47Å; P421-L424 HydrophobicContact CB-CB 4.23Å; P421-L424 PolarHBondContact O-N 3.07Å; P421-T425 PolarHBondContact O-N 3.33Å; P421-T425 PolarHBondContact O-OG1 2.92Å
422L70.6Confident67.3Low25 Ų2543.5 Ų43.513%0.13122%0.224CC..Hα-helixtrans-60.6-43.5179.217766.1000111.4A411 L424 T425 S426 V436 L438 F441A411-L422 HydrophobicContact CB-CD1 3.86Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.43Å; L422-T425 CarbonylContact O-C 3.59Å; L422-T425 WeakPolarHBondContact O-CA 3.48Å; L422-T425 VanDerWaalsContact O-CB 3.28Å; L422-T425 WeakPolarHBondContact O-CB 3.49Å; L422-T425 PolarHBondContact O-N 2.99Å; L422-S426 PolarHBondContact O-N 2.91Å; L422-S426 PolarHBondContact O-OG 3.4Å; L422-S426 VanDerWaalsContact O-OG 3.13Å; L422-V436 HydrophobicContact CD1-CG1 3.91Å; L422-L438 HydrophobicContact CD1-CD2 4.19Å; L422-L438 HydrophobicContact CD2-CD2 3.69Å; L422-L438 HydrophobicContact CG-CD2 4.12Å; L422-F441 HydrophobicContact CB-CE1 4.49Å; L422-F441 HydrophobicContact CB-CE2 4.27Å; L422-F441 HydrophobicContact CB-CZ 4.07Å; L422-F441 HydrophobicContact CD1-CD1 4.31Å; L422-F441 HydrophobicContact CD1-CD2 3.74Å; L422-F441 HydrophobicContact CD1-CE2 3.92Å; L422-F441 HydrophobicContact CD1-CG 3.93Å; L422-F441 HydrophobicContact CD1-CZ 4.32Å; L422-F441 HydrophobicContact CD2-CD1 3.57Å; L422-F441 HydrophobicContact CD2-CD2 4.44Å; L422-F441 HydrophobicContact CD2-CE1 3.55Å; L422-F441 HydrophobicContact CD2-CE2 4.37Å; L422-F441 HydrophobicContact CD2-CG 4.06Å; L422-F441 HydrophobicContact CD2-CZ 3.95Å; L422-F441 HydrophobicContact CG-CD1 4.49Å; L422-F441 HydrophobicContact CG-CE1 4.4Å; L422-F441 HydrophobicContact CG-CE2 4.41Å; L422-F441 HydrophobicContact CG-CZ 4.34Å
423D64.5Low67.3Low28 Ų2844.3 Ų44.315%0.1524%0.243CC..Hα-helixtrans-60.6-39.6179.162.3-53.9000112.1R326 P421 T425 S426 L427R326-D423 WeakPolarHBondContact CD-OD2 3.45Å; R326-D423 WeakPolarHBondContact CG-OD2 3.44Å; R326-D423 IonicContact NE-OD1 2.84Å; R326-D423 IonicContact NE-OD2 3.49Å; R326-D423 PolarHBondContact NE-OD2 3.37Å; P421-D423 VanDerWaalsContact C-N 3.33Å; P421-D423 WeakPolarHBondContact CB-OD1 3.28Å; P421-D423 PolarHBondContact O-N 3.47Å; D423-T425 VanDerWaalsContact C-N 3.33Å; D423-S426 PolarHBondContact O-N 3.11Å; D423-L427 WeakPolarHBondContact O-CB 3.41Å; D423-L427 PolarHBondContact O-N 2.85Å
424L67.7Low68Low10 Ų1041.6 Ų41.65%0.05223%0.228CC..Hα-helixtrans-68.1-36.3175-172.864.7000111.6R333 F382 L386 F420 P421 L422 I428R333-L424 VanDerWaalsContact CD-CD1 3.41Å; F382-L424 HydrophobicContact CE2-CD2 3.76Å; F382-L424 HydrophobicContact CZ-CD2 3.86Å; L386-L424 HydrophobicContact CD1-CD2 3.77Å; F420-L424 HydrophobicContact CD2-CD2 4.07Å; F420-L424 HydrophobicContact CE1-CB 4.33Å; F420-L424 HydrophobicContact CE1-CD2 4.07Å; F420-L424 HydrophobicContact CE1-CG 4.04Å; F420-L424 HydrophobicContact CE2-CD2 3.4Å; F420-L424 VanDerWaalsContact CE2-CD2 3.4Å; F420-L424 HydrophobicContact CE2-CG 4.2Å; F420-L424 HydrophobicContact CZ-CB 4.41Å; F420-L424 HydrophobicContact CZ-CD2 3.4Å; F420-L424 HydrophobicContact CZ-CG 3.65Å; P421-L424 HydrophobicContact CB-CB 4.23Å; P421-L424 PolarHBondContact O-N 3.07Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.43Å; L424-I428 HydrophobicContact CD1-CD1 4.17Å; L424-I428 HydrophobicContact CG-CD1 3.99Å; L424-I428 WeakPolarHBondContact O-CB 3.49Å; L424-I428 WeakPolarHBondContact O-CD1 3.5Å; L424-I428 VanDerWaalsContact O-CG1 3.23Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 2.98Å
425T73Confident68.8Low0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-63.4-46.7173.3-52.80000110.8L393 I406 L414 F420 P421 L422 D423 A429 V436L393-T425 HydrophobicContact CD1-CG2 4.1Å; I406-T425 HydrophobicContact CD1-CG2 4.36Å; L414-T425 HydrophobicContact CD1-CG2 3.98Å; F420-T425 VanDerWaalsContact CD1-OG1 3.27Å; F420-T425 WeakPolarHBondContact CD1-OG1 3.32Å; P421-T425 PolarHBondContact O-N 3.33Å; P421-T425 PolarHBondContact O-OG1 2.92Å; L422-T425 CarbonylContact O-C 3.59Å; L422-T425 WeakPolarHBondContact O-CA 3.48Å; L422-T425 VanDerWaalsContact O-CB 3.28Å; L422-T425 WeakPolarHBondContact O-CB 3.49Å; L422-T425 PolarHBondContact O-N 2.99Å; D423-T425 VanDerWaalsContact C-N 3.33Å; T425-A429 VanDerWaalsContact O-CB 3.32Å; T425-A429 WeakPolarHBondContact O-CB 3.41Å; T425-A429 PolarHBondContact O-N 2.95Å; T425-V436 HydrophobicContact CG2-CG2 4.02Å
426S73.5Confident69.5Low35 Ų3546.3 Ų46.325%0.24525%0.253CS..Hα-helixtrans-62.3-45.1177.8-60.70000112.1L422 D423 A429 E430L422-S426 PolarHBondContact O-N 2.91Å; L422-S426 PolarHBondContact O-OG 3.4Å; L422-S426 VanDerWaalsContact O-OG 3.13Å; D423-S426 PolarHBondContact O-N 3.11Å; S426-A429 WeakPolarHBondContact O-CB 3.48Å; S426-A429 PolarHBondContact O-N 3.45Å; S426-E430 WeakPolarHBondContact O-CB 3.34Å; S426-E430 PolarHBondContact O-N 3.35Å
427L67.2Low70.6Confident29 Ų2944.9 Ų44.915%0.15225%0.245CC..Hα-helixtrans-67.1-42-178.8-157.9168.5000111.7Y334 D423 A429 E430 E431Y334-L427 HydrophobicContact CE2-CD1 4.33Å; D423-L427 WeakPolarHBondContact O-CB 3.41Å; D423-L427 PolarHBondContact O-N 2.85Å; L427-A429 VanDerWaalsContact C-N 3.29Å; L427-A429 PolarHBondContact O-N 3.3Å; L427-E430 PolarHBondContact O-N 3.1Å; L427-E431 HydrophobicContact CD2-CG 4.08Å; L427-E431 PolarHBondContact O-N 2.77Å
428I73.3Confident71.7Confident8 Ų845.4 Ų45.44%0.04125%0.245CC..Hα-helixtrans-67.5-33175.3-65.8167000111.2L393 F420 L424 K432L393-I428 HydrophobicContact CD2-CB 3.92Å; L393-I428 HydrophobicContact CD2-CD1 4.07Å; L393-I428 HydrophobicContact CD2-CG2 3.61Å; F420-I428 HydrophobicContact CE1-CD1 4.27Å; F420-I428 HydrophobicContact CZ-CD1 3.73Å; L424-I428 HydrophobicContact CD1-CD1 4.17Å; L424-I428 HydrophobicContact CG-CD1 3.99Å; L424-I428 WeakPolarHBondContact O-CB 3.49Å; L424-I428 WeakPolarHBondContact O-CD1 3.5Å; L424-I428 VanDerWaalsContact O-CG1 3.23Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 2.98Å; I428-K432 PolarHBondContact O-N 3.29Å
429A77.6Confident72.8Confident0 Ų044.8 Ų44.80%026%0.256CS..Hα-helixtrans-63.9-4817300000110.5I406 T425 S426 L427 E431 K432 G433 M434 V436I406-A429 HydrophobicContact CD1-CB 3.67Å; I406-A429 HydrophobicContact CG1-CB 4.41Å; T425-A429 VanDerWaalsContact O-CB 3.32Å; T425-A429 WeakPolarHBondContact O-CB 3.41Å; T425-A429 PolarHBondContact O-N 2.95Å; S426-A429 WeakPolarHBondContact O-CB 3.48Å; S426-A429 PolarHBondContact O-N 3.45Å; L427-A429 VanDerWaalsContact C-N 3.29Å; L427-A429 PolarHBondContact O-N 3.3Å; A429-E431 PolarHBondContact O-N 2.95Å; A429-K432 CarbonylContact O-C 3.53Å; A429-K432 WeakPolarHBondContact O-CA 3.21Å; A429-K432 PolarHBondContact O-N 3.33Å; A429-G433 PolarHBondContact O-N 2.93Å; A429-M434 CarbonylContact C-O 3.5Å; A429-M434 HydrophobicContact CB-CB 4.01Å; A429-M434 WeakPolarHBondContact O-CA 3.42Å; A429-M434 WeakPolarHBondContact O-CB 3.46Å; A429-M434 PolarHBondContact O-N 3.26Å; A429-M434 VanDerWaalsContact O-O 3.12Å; A429-V436 HydrophobicContact CB-CG2 4.07Å
430E75.7Confident74.3Confident114 Ų11444.2 Ų44.253%0.53325%0.248SC..Hα-helixtrans-59.4-43.8-179.6-169.8-179.5-174.700111.6K90 S426 L427 K432 G433 M434K90-E430 IonicContact NZ-OE1 2.73Å; K90-E430 IonicContact NZ-OE2 2.99Å; S426-E430 WeakPolarHBondContact O-CB 3.34Å; S426-E430 PolarHBondContact O-N 3.35Å; L427-E430 PolarHBondContact O-N 3.1Å; E430-K432 PolarHBondContact O-N 3.29Å; E430-K432 VanDerWaalsContact O-N 3.13Å; E430-G433 PolarHBondContact O-N 3.25Å; E430-M434 WeakPolarHBondContact CA-O 3.36Å; E430-M434 PolarHBondContact N-O 3.41Å
431E70.1Confident75Confident89 Ų8944.3 Ų44.342%0.41625%0.248SC..Hα-helixtrans-59.8-24.2174.9-75.4-175.3162.300113.8R333 K338 L427 A429R333-E431 IonicContact CZ-OE1 3.77Å; R333-E431 IonicContact NH2-OE1 3.16Å; R333-E431 PolarHBondContact NH2-OE1 3.2Å; R333-E431 IonicContact NH2-OE2 3.41Å; R333-E431 PolarHBondContact NH2-OE2 2.95Å; K338-E431 VanDerWaalsContact CE-OE1 3.29Å; K338-E431 WeakPolarHBondContact CE-OE1 3.29Å; K338-E431 IonicContact NZ-OE1 2.72Å; K338-E431 PolarHBondContact NZ-OE1 3.44Å; L427-E431 HydrophobicContact CD2-CG 4.08Å; L427-E431 PolarHBondContact O-N 2.77Å; A429-E431 PolarHBondContact O-N 2.95Å
432K73.4Confident75.4Confident97 Ų9747.3 Ų47.342%0.42226%0.261SS..THydrogen-bonded Turntrans-99.18.5176.1-66.5-172.4179.7-173.70112.9D394 I397 I428 A429 E430 M434D394-K432 IonicContact OD1-NZ 2.8Å; D394-K432 PolarHBondContact OD1-NZ 3.2Å; I397-K432 HydrophobicContact CD1-CD 4.01Å; I428-K432 PolarHBondContact O-N 3.29Å; A429-K432 CarbonylContact O-C 3.53Å; A429-K432 WeakPolarHBondContact O-CA 3.21Å; A429-K432 PolarHBondContact O-N 3.33Å; E430-K432 PolarHBondContact O-N 3.29Å; E430-K432 VanDerWaalsContact O-N 3.13Å; K432-M434 VanDerWaalsContact C-N 3.34Å; K432-M434 HydrophobicContact CB-CG 4.41Å
433G76.6Confident75.9Confident50 Ų5052.9 Ų52.952%0.51529%0.287SS..THydrogen-bonded Turntrans68.730.9-177.500000113.6A429 E430A429-G433 PolarHBondContact O-N 2.93Å; E430-G433 PolarHBondContact O-N 3.25Å
434M82.8Confident76.5Confident18 Ų1855.7 Ų55.79%0.08930%0.299CS..  trans-118.3160.7178.4-58-176.469.800111.1I397 L400 C403 K404 I406 A429 E430 K432I397-M434 HydrophobicContact CB-SD 4.38Å; I397-M434 HydrophobicContact CD1-SD 4.18Å; I397-M434 HydrophobicContact CG1-CE 4.42Å; I397-M434 HydrophobicContact CG1-SD 4.01Å; I397-M434 HydrophobicContact CG2-CE 4.4Å; I397-M434 HydrophobicContact CG2-SD 3.59Å; I397-M434 VanDerWaalsContact CG2-SD 3.59Å; L400-M434 HydrophobicContact CD1-CE 4.41Å; C403-M434 WeakPolarHBondContact O-CE 3.41Å; K404-M434 CarbonylContact O-C 3.35Å; K404-M434 WeakPolarHBondContact O-CA 3.42Å; K404-M434 WeakPolarHBondContact O-CB 3.21Å; I406-M434 HydrophobicContact CG1-CE 4.01Å; A429-M434 CarbonylContact C-O 3.5Å; A429-M434 HydrophobicContact CB-CB 4.01Å; A429-M434 WeakPolarHBondContact O-CA 3.42Å; A429-M434 WeakPolarHBondContact O-CB 3.46Å; A429-M434 PolarHBondContact O-N 3.26Å; A429-M434 VanDerWaalsContact O-O 3.12Å; E430-M434 WeakPolarHBondContact CA-O 3.36Å; E430-M434 PolarHBondContact N-O 3.41Å; K432-M434 VanDerWaalsContact C-N 3.34Å; K432-M434 HydrophobicContact CB-CG 4.41Å
435E84.4Confident76.6Confident146 Ų14657.6 Ų57.668%0.68231%0.307SS*.EExtended strand (participates in β ladder)trans-123155.3177-69.2178.317900111.1K404 T405 I406K404-E435 PolarHBondContact O-N 3.03Å; T405-E435 CarbonylContact C-O 3.52Å; T405-E435 VanDerWaalsContact CA-O 3.26Å; T405-E435 WeakPolarHBondContact CA-O 3.22Å; I406-E435 PolarHBondContact N-O 3.35Å
436V82.2Confident76.4Confident17 Ų1763.7 Ų63.710%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-99.6134.8173.6178.80000109I406 A411 L422 T425 A429 L438I406-V436 HydrophobicContact CB-CG2 4.15Å; I406-V436 HydrophobicContact CD1-CG2 4.26Å; A411-V436 HydrophobicContact CB-CG1 3.72Å; L422-V436 HydrophobicContact CD1-CG1 3.91Å; T425-V436 HydrophobicContact CG2-CG2 4.02Å; A429-V436 HydrophobicContact CB-CG2 4.07Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 HydrophobicContact CG1-CD2 4.49Å; V436-L438 PolarHBondContact O-N 3Å
437N83.9Confident76.2Confident68 Ų6864.2 Ų64.236%0.36434%0.339SS..  trans-73.888.9172.2-172.3-21.8000110.4T405 I406 A439 A440 F441T405-N437 HydrophobicContact CG2-CB 3.98Å; I406-N437 PolarHBondContact O-N 3.3Å; N437-A439 VanDerWaalsContact C-N 3.33Å; N437-A439 PolarHBondContact O-N 3.47Å; N437-A439 PolarHBondContact OD1-N 3.41Å; N437-A440 HydrophobicContact CB-CB 4.25Å; N437-A440 PolarHBondContact O-N 3.08Å; N437-A440 PolarHBondContact OD1-N 2.98Å; N437-F441 PolarHBondContact O-N 2.94Å; N437-F441 VanDerWaalsContact O-N 3.16Å
438L77.2Confident75.7Confident94 Ų9464.6 Ų64.649%0.49235%0.347SS..Hα-helixtrans-64.1-35-178.5-65.3173.6000112.8L422 V436 F441 E442L422-L438 HydrophobicContact CD1-CD2 4.19Å; L422-L438 HydrophobicContact CD2-CD2 3.69Å; L422-L438 HydrophobicContact CG-CD2 4.12Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 HydrophobicContact CG1-CD2 4.49Å; V436-L438 PolarHBondContact O-N 3Å; L438-F441 WeakPolarHBondContact O-CB 3.44Å; L438-F441 PolarHBondContact O-N 3.21Å; L438-E442 PolarHBondContact O-N 2.96Å
439A78.1Confident74.5Confident67 Ų6768.3 Ų68.355%0.55436%0.364SS*.Hα-helixtrans-64-48.4179.300000111.2N437 F441 E442 E443N437-A439 VanDerWaalsContact C-N 3.33Å; N437-A439 PolarHBondContact O-N 3.47Å; N437-A439 PolarHBondContact OD1-N 3.41Å; A439-F441 VanDerWaalsContact C-N 3.3Å; A439-F441 PolarHBondContact O-N 3.14Å; A439-E442 PolarHBondContact O-N 2.75Å; A439-E443 PolarHBondContact O-N 2.99Å
440A80.9Confident73.2Confident25 Ų2574.4 Ų74.421%0.20740%0.396CS..Hα-helixtrans-65.6-32.2176.900000112.6N437 E444N437-A440 HydrophobicContact CB-CB 4.25Å; N437-A440 PolarHBondContact O-N 3.08Å; N437-A440 PolarHBondContact OD1-N 2.98Å; A440-E444 WeakPolarHBondContact O-CG 3.46Å; A440-E444 PolarHBondContact O-N 2.89Å
441F78.9Confident72.1Confident3 Ų378 Ų781%0.01341%0.41CS..Hα-helixtrans-63.9-46.6173.2172.1-86.9000112A411 W412 Y415 L422 N437 L438 A439 E443 E444 K445A411-F441 HydrophobicContact CB-CD2 3.76Å; A411-F441 HydrophobicContact CB-CE2 4.48Å; W412-F441 HydrophobicContact CB-CD2 4.06Å; W412-F441 HydrophobicContact CB-CE2 4.26Å; W412-F441 HydrophobicContact CE3-CD2 4.39Å; W412-F441 AromaticContact CE3-CE2 3.8Å; W412-F441 HydrophobicContact CE3-CE2 3.8Å; W412-F441 AromaticContact CE3-CZ 3.86Å; W412-F441 HydrophobicContact CE3-CZ 3.86Å; W412-F441 HydrophobicContact CZ3-CZ 4.26Å; Y415-F441 HydrophobicContact CD1-CE2 4.5Å; Y415-F441 HydrophobicContact CD1-CZ 4.15Å; Y415-F441 HydrophobicContact CD2-CZ 4.1Å; Y415-F441 HydrophobicContact CG-CE2 4.03Å; Y415-F441 AromaticContact CG-CZ 3.85Å; Y415-F441 HydrophobicContact CG-CZ 3.85Å; L422-F441 HydrophobicContact CB-CE1 4.49Å; L422-F441 HydrophobicContact CB-CE2 4.27Å; L422-F441 HydrophobicContact CB-CZ 4.07Å; L422-F441 HydrophobicContact CD1-CD1 4.31Å; L422-F441 HydrophobicContact CD1-CD2 3.74Å; L422-F441 HydrophobicContact CD1-CE2 3.92Å; L422-F441 HydrophobicContact CD1-CG 3.93Å; L422-F441 HydrophobicContact CD1-CZ 4.32Å; L422-F441 HydrophobicContact CD2-CD1 3.57Å; L422-F441 HydrophobicContact CD2-CD2 4.44Å; L422-F441 HydrophobicContact CD2-CE1 3.55Å; L422-F441 HydrophobicContact CD2-CE2 4.37Å; L422-F441 HydrophobicContact CD2-CG 4.06Å; L422-F441 HydrophobicContact CD2-CZ 3.95Å; L422-F441 HydrophobicContact CG-CD1 4.49Å; L422-F441 HydrophobicContact CG-CE1 4.4Å; L422-F441 HydrophobicContact CG-CE2 4.41Å; L422-F441 HydrophobicContact CG-CZ 4.34Å; N437-F441 PolarHBondContact O-N 2.94Å; N437-F441 VanDerWaalsContact O-N 3.16Å; L438-F441 WeakPolarHBondContact O-CB 3.44Å; L438-F441 PolarHBondContact O-N 3.21Å; A439-F441 VanDerWaalsContact C-N 3.3Å; A439-F441 PolarHBondContact O-N 3.14Å; F441-E443 VanDerWaalsContact C-N 3.32Å; F441-E443 PolarHBondContact O-N 3Å; F441-E444 PolarHBondContact O-N 3.44Å; F441-K445 HydrophobicContact CE1-CD 3.94Å; F441-K445 WeakPolarHBondContact O-CB 3.33Å; F441-K445 PolarHBondContact O-N 3.37Å
442E72.3Confident70.6Confident70 Ų7078.1 Ų78.133%0.32742%0.42SS..Hα-helixtrans-68.4-30.9179.4-76.3-62.9152.400112.2L438 A439 K445 K446L438-E442 PolarHBondContact O-N 2.96Å; A439-E442 PolarHBondContact O-N 2.75Å; E442-K445 IonicContact OE1-NZ 2.77Å; E442-K445 PolarHBondContact OE1-NZ 2.98Å; E442-K445 IonicContact OE2-NZ 3.19Å; E442-K445 PolarHBondContact OE2-NZ 3.31Å; E442-K445 VanDerWaalsContact OE2-NZ 3.1Å; E442-K446 WeakPolarHBondContact O-CB 3.38Å; E442-K446 WeakPolarHBondContact O-CG 3.02Å; E442-K446 PolarHBondContact O-N 2.62Å
443E80.4Confident68.9Low142 Ų14279.8 Ų79.866%0.66443%0.43SS*.Hα-helixtrans-62.2-47.6170.8-75.6-178.8170.900112.2A439 F441 K445 K446 A447A439-E443 PolarHBondContact O-N 2.99Å; F441-E443 VanDerWaalsContact C-N 3.32Å; F441-E443 PolarHBondContact O-N 3Å; E443-K445 PolarHBondContact O-N 3.32Å; E443-K446 PolarHBondContact O-N 2.94Å; E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 2.69Å
444E76.9Confident66.8Low87 Ų8780.6 Ų80.641%0.40744%0.439SS..Hα-helixtrans-63.1-41176.9-72.9-66163.100112.1W412 A440 F441 A447 A448W412-E444 HydrophobicContact CB-CB 3.96Å; W412-E444 HydrophobicContact CD2-CB 4.34Å; W412-E444 HydrophobicContact CG-CB 3.83Å; A440-E444 WeakPolarHBondContact O-CG 3.46Å; A440-E444 PolarHBondContact O-N 2.89Å; F441-E444 PolarHBondContact O-N 3.44Å; E444-A447 PolarHBondContact O-N 2.68Å; E444-A448 WeakPolarHBondContact O-CB 3.47Å; E444-A448 PolarHBondContact O-N 3.05Å
445K70.3Confident64.4Low50 Ų5089.6 Ų89.622%0.21748%0.477CS..Hα-helixtrans-62.5-46.1175.3179172.7157.9-1500112.5W412 F441 E442 E443 A448 Q449W412-K445 HydrophobicContact CE3-CB 3.71Å; W412-K445 HydrophobicContact CE3-CG 4.31Å; W412-K445 HydrophobicContact CH2-CB 3.96Å; W412-K445 HydrophobicContact CH2-CG 3.89Å; W412-K445 HydrophobicContact CZ3-CB 3.36Å; W412-K445 HydrophobicContact CZ3-CD 3.96Å; W412-K445 HydrophobicContact CZ3-CG 3.47Å; W412-K445 VanDerWaalsContact CZ3-CG 3.47Å; F441-K445 HydrophobicContact CE1-CD 3.94Å; F441-K445 WeakPolarHBondContact O-CB 3.33Å; F441-K445 PolarHBondContact O-N 3.37Å; E442-K445 IonicContact OE1-NZ 2.77Å; E442-K445 PolarHBondContact OE1-NZ 2.98Å; E442-K445 IonicContact OE2-NZ 3.19Å; E442-K445 PolarHBondContact OE2-NZ 3.31Å; E442-K445 VanDerWaalsContact OE2-NZ 3.1Å; E443-K445 PolarHBondContact O-N 3.32Å; K445-A448 PolarHBondContact O-N 3.22Å; K445-Q449 WeakPolarHBondContact O-CG 3.31Å; K445-Q449 PolarHBondContact O-N 2.85Å
446K68.4Low62Low129 Ų12986.6 Ų86.656%0.56149%0.485SS*.Hα-helixtrans-62.4-42.5175.3-78.9178.8-179.1178.60111.3E442 E443 A448 Q449 L450E442-K446 WeakPolarHBondContact O-CB 3.38Å; E442-K446 WeakPolarHBondContact O-CG 3.02Å; E442-K446 PolarHBondContact O-N 2.62Å; E443-K446 PolarHBondContact O-N 2.94Å; K446-A448 VanDerWaalsContact C-N 3.31Å; K446-A448 PolarHBondContact O-N 3.26Å; K446-Q449 PolarHBondContact O-N 2.98Å; K446-L450 WeakPolarHBondContact O-CB 3.12Å; K446-L450 WeakPolarHBondContact O-CG 3.28Å; K446-L450 PolarHBondContact O-N 3.38Å
447A70.1Confident59.5Low45 Ų4591 Ų9137%0.37252%0.523SS..Hα-helixtrans-62.7-36.6177.200000112.6E443 E444 K451E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 2.69Å; E444-A447 PolarHBondContact O-N 2.68Å; A447-K451 PolarHBondContact O-N 2.9Å
448A56.4Low57Low37 Ų3792 Ų9231%0.30655%0.55SS..Hα-helixtrans-70.7-41.6173.300000112.6W412 E444 K445 K446 K451 S452W412-A448 HydrophobicContact CH2-CB 4.22Å; W412-A448 HydrophobicContact CZ2-CB 3.47Å; W412-A448 VanDerWaalsContact CZ2-CB 3.47Å; E444-A448 WeakPolarHBondContact O-CB 3.47Å; E444-A448 PolarHBondContact O-N 3.05Å; K445-A448 PolarHBondContact O-N 3.22Å; K446-A448 VanDerWaalsContact C-N 3.31Å; K446-A448 PolarHBondContact O-N 3.26Å; A448-K451 PolarHBondContact O-N 3.12Å; A448-S452 PolarHBondContact O-N 2.91Å
449Q48.4Very low54.9Low86 Ų8690.8 Ų90.840%0.40256%0.56SS.*Hα-helixtrans-64-43.8176.8-80.6178.2-35.500112.6K445 K446 K451 S452 Q453K445-Q449 WeakPolarHBondContact O-CG 3.31Å; K445-Q449 PolarHBondContact O-N 2.85Å; K446-Q449 PolarHBondContact O-N 2.98Å; Q449-K451 PolarHBondContact O-N 3.21Å; Q449-S452 WeakPolarHBondContact CA-OG 3.46Å; Q449-S452 CarbonylContact O-C 3.59Å; Q449-S452 WeakPolarHBondContact O-CA 3.24Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 2.98Å; Q449-S452 PolarHBondContact O-OG 3.44Å; Q449-Q453 WeakPolarHBondContact O-CG 3.46Å; Q449-Q453 PolarHBondContact O-N 2.89Å
450L50.9Low53.2Low128 Ų12895.1 Ų95.167%0.6757%0.569SS**Hα-helixtrans-61.5-32.3177.2-75165.1000112.6K446 S452K446-L450 WeakPolarHBondContact O-CB 3.12Å; K446-L450 WeakPolarHBondContact O-CG 3.28Å; K446-L450 PolarHBondContact O-N 3.38Å; L450-S452 VanDerWaalsContact C-N 3.25Å; L450-S452 PolarHBondContact O-N 2.98Å
451K51.5Low52.1Low190 Ų19099.4 Ų99.483%0.82659%0.588SS**Hα-helixtrans-69.9-21.3171.7-75.7174.9-178.8170.70113.2A447 A448 Q449A447-K451 PolarHBondContact O-N 2.9Å; A448-K451 PolarHBondContact O-N 3.12Å; Q449-K451 PolarHBondContact O-N 3.21Å
452S38.6Very low51.6Low91 Ų91104.2 Ų104.264%0.63661%0.611SS**Hα-helixtrans-95.9-20.5-179.873.30000114.4A448 Q449 L450 G454A448-S452 PolarHBondContact O-N 2.91Å; Q449-S452 WeakPolarHBondContact CA-OG 3.46Å; Q449-S452 CarbonylContact O-C 3.59Å; Q449-S452 WeakPolarHBondContact O-CA 3.24Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 2.98Å; Q449-S452 PolarHBondContact O-OG 3.44Å; L450-S452 VanDerWaalsContact C-N 3.25Å; L450-S452 PolarHBondContact O-N 2.98Å; S452-G454 VanDerWaalsContact C-N 3.33Å; S452-G454 PolarHBondContact O-N 2.93Å
453Q37.8Very low52Low132 Ų132101.8 Ų101.862%0.61760%0.6SS**  trans-86.124.7-173-78.8-1750.400116Q449 K455Q449-Q453 WeakPolarHBondContact O-CG 3.46Å; Q449-Q453 PolarHBondContact O-N 2.89Å; Q453-K455 PolarHBondContact O-N 3.11Å
454G31.7Very low52Low68 Ų6897.2 Ų97.270%0.70158%0.579SS**  trans-75.768168.100000112.3S452S452-G454 VanDerWaalsContact C-N 3.33Å; S452-G454 PolarHBondContact O-N 2.93Å
455K32.7Very low52.2Low206 Ų20693.7 Ų93.790%0.89656%0.563SS**SBendtrans169107154.5-94.9161.9-173.5-171.40113.5Q453Q453-K455 PolarHBondContact O-N 3.11Å
456G35.1Very low52.3Low83 Ų8394.2 Ų94.286%0.85657%0.568SS**  trans77.992.4134.400000120.7
457A28.9Very low52.3Low109 Ų10991 Ų9190%0.90156%0.556SS**  trans-166.9108.2147.300000109
458G31.4Very low52.3Low89 Ų8991.8 Ų91.892%0.91855%0.55SS**  trans170.348.8177.300000116.7
459G33.8Very low53.4Low69 Ų6990 Ų9071%0.71154%0.536SS*.SBendtrans-153-10.5178.800000119.3
460E42.2Very low54.8Low159 Ų15986.9 Ų86.974%0.74352%0.521SS*.  trans-100.31.6-163-70.9-177.5164.800116.9H462E460-H462 PolarHBondContact O-N 2.74Å
461D58.5Low55.8Low115 Ų11584.1 Ų84.162%0.61551%0.505SS*.THydrogen-bonded Turntrans-93.818.9-163-154.129.7000116.3R513D461-R513 PolarHBondContact O-NE 2.75Å
462H66.4Low57.3Low103 Ų10379 Ų7948%0.47748%0.484SS..THydrogen-bonded Turntrans-106.4-19.9-176.2-69.3-72.5000115.2E460 R513E460-H462 PolarHBondContact O-N 2.74Å; H462-R513 HydrophobicContact CB-CG 4.47Å; H462-R513 PolarHBondContact ND1-NE 3.35Å; H462-R513 WeakPolarHBondContact O-CA 3.35Å; H462-R513 WeakPolarHBondContact O-CG 3.46Å; H462-R513 PolarHBondContact O-N 2.72Å
463I81.7Confident59.7Low20 Ų2074.6 Ų74.610%0.10345%0.453CS..THydrogen-bonded Turntrans-103.9-20.9-176.9-60.9175.9000111.9R510 E524 L574 I576I463-R510 WeakPolarHBondContact O-CD 3.34Å; I463-E524 HydrophobicContact CD1-CB 4.17Å; I463-E524 HydrophobicContact CD1-CG 3.65Å; I463-L574 HydrophobicContact CG2-CD2 4.46Å; I463-I576 HydrophobicContact CD1-CG2 4.29Å; I463-I576 HydrophobicContact CG2-CD1 4.5Å; I463-I576 HydrophobicContact CG2-CG1 4.14Å; I463-I576 HydrophobicContact CG2-CG2 4.19Å
464M81.3Confident61.8Low46 Ų4672.1 Ų72.123%0.22744%0.438CS..SBendtrans-59.9152.7-177.9-66.4-62.6171.200112.7D466 R510 Q567 I576M464-D466 PolarHBondContact O-N 3.07Å; M464-R510 PolarHBondContact O-NE 2.9Å; M464-Q567 HydrophobicContact CE-CG 4.15Å; M464-Q567 HydrophobicContact SD-CG 4.36Å; M464-I576 HydrophobicContact CE-CD1 3.45Å; M464-I576 VanDerWaalsContact CE-CD1 3.45Å; M464-I576 HydrophobicContact SD-CD1 3.83Å
465L80.5Confident64.1Low12 Ų1274.6 Ų74.66%0.06344%0.435CS..  trans-79.8104.2172.3-67.7177.5000109.3A469 I470 L473 F515 L528 R569 L574L465-A469 HydrophobicContact CB-CB 4.43Å; L465-A469 HydrophobicContact CD2-CB 3.76Å; L465-I470 HydrophobicContact CB-CD1 4.44Å; L465-I470 HydrophobicContact CB-CG1 4.1Å; L465-L473 HydrophobicContact CD1-CD1 4.4Å; L465-L473 HydrophobicContact CD2-CD1 4.06Å; L465-F515 HydrophobicContact CD2-CE1 4.32Å; L465-F515 HydrophobicContact CD2-CZ 4.02Å; L465-L528 HydrophobicContact CD1-CD1 4.32Å; L465-L528 HydrophobicContact CD1-CD2 4.23Å; L465-L528 HydrophobicContact CD2-CD1 4.45Å; L465-R569 HydrophobicContact CB-CB 4.17Å; L465-L574 HydrophobicContact CD1-CB 4.47Å; L465-L574 HydrophobicContact CG-CD1 4.35Å; L465-L574 HydrophobicContact CG-CD2 4.26Å
466D72.4Confident66.7Low62 Ų6269.8 Ų69.833%0.33242%0.416SS..  trans-80179.6166.161.145.1000111.1M464 Y468 A469 I470 R510M464-D466 PolarHBondContact O-N 3.07Å; D466-Y468 VanDerWaalsContact C-N 3.33Å; D466-Y468 PolarHBondContact O-N 3.18Å; D466-Y468 PolarHBondContact OD1-N 3.33Å; D466-Y468 VanDerWaalsContact OD1-N 3.08Å; D466-A469 WeakPolarHBondContact O-CB 3.44Å; D466-A469 PolarHBondContact O-N 3.29Å; D466-A469 WeakPolarHBondContact OD1-CB 3.32Å; D466-A469 PolarHBondContact OD1-N 3.04Å; D466-I470 WeakPolarHBondContact O-CG1 3.31Å; D466-I470 PolarHBondContact O-N 2.98Å; D466-I470 VanDerWaalsContact O-N 3.15Å; D466-R510 IonicContact OD1-NH2 3.86Å; D466-R510 IonicContact OD2-NH2 2.69Å; D466-R510 PolarHBondContact OD2-NH2 3.28Å
467I67Low69.3Low60 Ų6074 Ų7431%0.30841%0.414SS..Hα-helixtrans-61.1-40.7-176.2-60172000111.3T56 I470 E471T56-I467 HydrophobicContact CG2-CG1 4.33Å; I467-I470 PolarHBondContact O-N 2.84Å; I467-E471 PolarHBondContact O-N 3.26Å
468Y71.3Confident72.2Confident63 Ų6369.7 Ų69.725%0.24738%0.376CS..Hα-helixtrans-69.2-37.9178.9-57.6-71.3000112.1E225 K231 D466 I470 E471 E472E225-Y468 VanDerWaalsContact CD-CZ 3.43Å; E225-Y468 WeakPolarHBondContact OE1-CE2 3.36Å; E225-Y468 PolarHBondContact OE1-OH 2.97Å; E225-Y468 WeakPolarHBondContact OE2-CE2 3.3Å; E225-Y468 PolarHBondContact OE2-OH 3.14Å; K231-Y468 HydrophobicContact CD-CE1 3.53Å; K231-Y468 HydrophobicContact CD-CE2 4.44Å; K231-Y468 VanDerWaalsContact CD-CZ 3.5Å; K231-Y468 VanDerWaalsContact CD-OH 3.22Å; K231-Y468 WeakPolarHBondContact CD-OH 3.23Å; K231-Y468 HydrophobicContact CG-CE1 4.43Å; K231-Y468 VanDerWaalsContact CG-OH 3.32Å; K231-Y468 WeakPolarHBondContact CG-OH 3.31Å; K231-Y468 PolarHBondContact NZ-OH 2.92Å; D466-Y468 VanDerWaalsContact C-N 3.33Å; D466-Y468 PolarHBondContact O-N 3.18Å; D466-Y468 PolarHBondContact OD1-N 3.33Å; D466-Y468 VanDerWaalsContact OD1-N 3.08Å; Y468-I470 VanDerWaalsContact C-N 3.28Å; Y468-I470 PolarHBondContact O-N 3.03Å; Y468-E471 PolarHBondContact O-N 3.36Å; Y468-E472 VanDerWaalsContact O-CB 3.27Å; Y468-E472 WeakPolarHBondContact O-CB 3.33Å; Y468-E472 PolarHBondContact O-N 3.34Å
469A79.4Confident75.1Confident0 Ų069.2 Ų69.20%036%0.357CS..Hα-helixtrans-60.1-43.8177.300000110.8L465 D466 L473 R510 F515L465-A469 HydrophobicContact CB-CB 4.43Å; L465-A469 HydrophobicContact CD2-CB 3.76Å; D466-A469 WeakPolarHBondContact O-CB 3.44Å; D466-A469 PolarHBondContact O-N 3.29Å; D466-A469 WeakPolarHBondContact OD1-CB 3.32Å; D466-A469 PolarHBondContact OD1-N 3.04Å; A469-L473 WeakPolarHBondContact O-CD1 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.5Å; A469-L473 PolarHBondContact O-N 3.5Å; A469-R510 VanDerWaalsContact CB-NH1 3.32Å; A469-F515 HydrophobicContact CB-CE2 4Å; A469-F515 HydrophobicContact CB-CZ 3.93Å
470I77.7Confident77.9Confident20 Ų2068.9 Ų68.910%0.10335%0.347CS..Hα-helixtrans-66.6-41.7177.4-66.3166.9000110.9L465 D466 I467 Y468 L473 R474 R569 Y572L465-I470 HydrophobicContact CB-CD1 4.44Å; L465-I470 HydrophobicContact CB-CG1 4.1Å; D466-I470 WeakPolarHBondContact O-CG1 3.31Å; D466-I470 PolarHBondContact O-N 2.98Å; D466-I470 VanDerWaalsContact O-N 3.15Å; I467-I470 PolarHBondContact O-N 2.84Å; Y468-I470 VanDerWaalsContact C-N 3.28Å; Y468-I470 PolarHBondContact O-N 3.03Å; I470-L473 PolarHBondContact O-N 2.9Å; I470-R474 WeakPolarHBondContact O-CG 3.42Å; I470-R474 PolarHBondContact O-N 2.75Å; I470-R569 HydrophobicContact CD1-CB 4.12Å; I470-Y572 HydrophobicContact CG2-CD2 4.47Å; I470-Y572 HydrophobicContact CG2-CE2 4.12Å
471E70.9Confident80.4Confident70 Ų7061.9 Ų61.933%0.32732%0.315SS..Hα-helixtrans-66.6-41.7177.5-172.8171-162.700112.2I467 Y468 L473 R474 N475I467-E471 PolarHBondContact O-N 3.26Å; Y468-E471 PolarHBondContact O-N 3.36Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3.21Å; E471-R474 PolarHBondContact O-N 3.21Å; E471-N475 WeakPolarHBondContact O-CB 3.33Å; E471-N475 VanDerWaalsContact O-CG 3.23Å; E471-N475 PolarHBondContact O-N 2.69Å; E471-N475 PolarHBondContact O-ND2 3.24Å
472E84.6Confident82.2Confident81 Ų8159.8 Ų59.838%0.37930%0.304SS..Hα-helixtrans-59.1-44.7174.5-177.3175.317300111.1Y468 N475 Q476 F515Y468-E472 VanDerWaalsContact O-CB 3.27Å; Y468-E472 WeakPolarHBondContact O-CB 3.33Å; Y468-E472 PolarHBondContact O-N 3.34Å; E472-N475 PolarHBondContact O-N 2.78Å; E472-Q476 VanDerWaalsContact CG-NE2 3.33Å; E472-Q476 WeakPolarHBondContact O-CB 3.23Å; E472-Q476 VanDerWaalsContact O-CG 3.27Å; E472-Q476 WeakPolarHBondContact O-CG 3.48Å; E472-Q476 PolarHBondContact O-N 2.97Å; E472-Q476 PolarHBondContact OE1-NE2 3.49Å; E472-Q476 VanDerWaalsContact OE1-NE2 3.1Å; E472-F515 HydrophobicContact CB-CE2 4.14Å; E472-F515 VanDerWaalsContact CD-CD2 3.43Å; E472-F515 HydrophobicContact CG-CD2 4.14Å; E472-F515 HydrophobicContact CG-CE2 4.19Å; E472-F515 WeakPolarHBondContact OE2-CD2 3.39Å
473L88.5Confident83.6Confident0 Ų056.7 Ų56.70%029%0.291CS..Hα-helixtrans-60.4-45.8174.8-70.9166.1000112.2L465 A469 I470 E471 Q476 Q477 V478 A508 F515 L528 Y572L465-L473 HydrophobicContact CD1-CD1 4.4Å; L465-L473 HydrophobicContact CD2-CD1 4.06Å; A469-L473 WeakPolarHBondContact O-CD1 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.5Å; A469-L473 PolarHBondContact O-N 3.5Å; I470-L473 PolarHBondContact O-N 2.9Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3.21Å; L473-Q476 CarbonylContact O-C 3.58Å; L473-Q476 PolarHBondContact O-N 2.93Å; L473-Q477 PolarHBondContact O-N 2.98Å; L473-Q477 VanDerWaalsContact O-N 3.13Å; L473-V478 HydrophobicContact CB-CB 4.24Å; L473-V478 HydrophobicContact CD2-CB 4.08Å; L473-V478 HydrophobicContact CD2-CG1 4.18Å; L473-V478 HydrophobicContact CD2-CG2 3.94Å; L473-V478 WeakPolarHBondContact O-CB 3.32Å; L473-V478 PolarHBondContact O-N 3.41Å; L473-A508 HydrophobicContact CD2-CB 3.83Å; L473-F515 HydrophobicContact CD1-CE1 4.18Å; L473-F515 HydrophobicContact CD1-CZ 3.73Å; L473-F515 HydrophobicContact CD2-CD1 4.48Å; L473-F515 HydrophobicContact CD2-CE1 3.75Å; L473-F515 HydrophobicContact CD2-CE2 4.47Å; L473-F515 HydrophobicContact CD2-CZ 3.74Å; L473-F515 HydrophobicContact CG-CE1 4.03Å; L473-F515 HydrophobicContact CG-CE2 4.17Å; L473-F515 HydrophobicContact CG-CZ 3.51Å; L473-L528 HydrophobicContact CD1-CD1 3.35Å; L473-L528 HydrophobicContact CD2-CD1 3.79Å; L473-L528 HydrophobicContact CG-CD1 4.23Å; L473-Y572 HydrophobicContact CB-CE1 4.24Å; L473-Y572 HydrophobicContact CB-CE2 4.32Å; L473-Y572 HydrophobicContact CD1-CD1 4.24Å; L473-Y572 HydrophobicContact CD1-CD2 4.22Å; L473-Y572 HydrophobicContact CD1-CE1 4.32Å; L473-Y572 HydrophobicContact CD1-CE2 4.32Å; L473-Y572 HydrophobicContact CD1-CG 4.18Å
474R80.9Confident84.2Confident79 Ų7957.9 Ų57.930%0.29830%0.301SS..Hα-helixtrans-64-40.6177.6-72.7174.5177.6175.7-0.6111.8N55 I470 E471 Q476 Q477 Y572N55-R474 PolarHBondContact O-NH1 3.06Å; I470-R474 WeakPolarHBondContact O-CG 3.42Å; I470-R474 PolarHBondContact O-N 2.75Å; E471-R474 PolarHBondContact O-N 3.21Å; R474-Q476 VanDerWaalsContact C-N 3.32Å; R474-Q477 WeakPolarHBondContact O-CA 3.49Å; R474-Q477 PolarHBondContact O-N 3.09Å; R474-Y572 WeakPolarHBondContact CG-OH 3.46Å
475N81.6Confident84.9Confident120 Ų12055.9 Ų55.964%0.64229%0.291SS*.Hα-helixtrans-66.1-35.7176.3-73.9-22.7000112.1E471 E472 Q477E471-N475 WeakPolarHBondContact O-CB 3.33Å; E471-N475 VanDerWaalsContact O-CG 3.23Å; E471-N475 PolarHBondContact O-N 2.69Å; E471-N475 PolarHBondContact O-ND2 3.24Å; E472-N475 PolarHBondContact O-N 2.78Å; N475-Q477 PolarHBondContact O-N 3.02Å
476Q86.9Confident85.7Confident105 Ų10555.6 Ų55.649%0.49129%0.29SS..THydrogen-bonded Turntrans-76.32.6170.9-68.1177.820.900113E472 L473 R474 V478E472-Q476 VanDerWaalsContact CG-NE2 3.33Å; E472-Q476 WeakPolarHBondContact O-CB 3.23Å; E472-Q476 VanDerWaalsContact O-CG 3.27Å; E472-Q476 WeakPolarHBondContact O-CG 3.48Å; E472-Q476 PolarHBondContact O-N 2.97Å; E472-Q476 PolarHBondContact OE1-NE2 3.49Å; E472-Q476 VanDerWaalsContact OE1-NE2 3.1Å; L473-Q476 CarbonylContact O-C 3.58Å; L473-Q476 PolarHBondContact O-N 2.93Å; R474-Q476 VanDerWaalsContact C-N 3.32Å; Q476-V478 HydrophobicContact CB-CG2 4.06Å; Q476-V478 PolarHBondContact O-N 3.09Å
477Q89.6Confident86.7Confident173 Ų17355.6 Ų55.681%0.80829%0.285SS*.THydrogen-bonded Turntrans58.230-179.4-56.4-177-25.900113.6L473 R474 N475 P479L473-Q477 PolarHBondContact O-N 2.98Å; L473-Q477 VanDerWaalsContact O-N 3.13Å; R474-Q477 WeakPolarHBondContact O-CA 3.49Å; R474-Q477 PolarHBondContact O-N 3.09Å; N475-Q477 PolarHBondContact O-N 3.02Å; Q477-P479 WeakPolarHBondContact O-CD 3.2Å
478V90.5Very high88.1Confident18 Ų1857.4 Ų57.411%0.10929%0.289CS..PPolyproline II helixtrans-71119173.2-176.90000108.5L473 Q476 L507 Y572L473-V478 HydrophobicContact CB-CB 4.24Å; L473-V478 HydrophobicContact CD2-CB 4.08Å; L473-V478 HydrophobicContact CD2-CG1 4.18Å; L473-V478 HydrophobicContact CD2-CG2 3.94Å; L473-V478 WeakPolarHBondContact O-CB 3.32Å; L473-V478 PolarHBondContact O-N 3.41Å; Q476-V478 HydrophobicContact CB-CG2 4.06Å; Q476-V478 PolarHBondContact O-N 3.09Å; V478-L507 HydrophobicContact CG1-CB 3.87Å; V478-L507 HydrophobicContact CG1-CD1 3.88Å; V478-Y572 HydrophobicContact CB-CE1 4.4Å; V478-Y572 HydrophobicContact CG1-CE1 4.1Å; V478-Y572 WeakPolarHBondContact O-CE1 3.47Å; V478-Y572 PolarHBondContact O-OH 3.35Å
479P91.6Very high89.2Confident79 Ų7955.5 Ų55.551%0.51328%0.281SS..PPolyproline II helixtrans-66.8154.8179.828.5-35.7000111.6Q477 L507 Y572Q477-P479 WeakPolarHBondContact O-CD 3.2Å; P479-L507 HydrophobicContact CG-CD1 3.96Å; P479-Y572 VanDerWaalsContact O-CE1 3.23Å; P479-Y572 WeakPolarHBondContact O-CE1 3.5Å
480A91.5Very high89.9Confident61 Ų6158 Ų5850%0.50430%0.301SS..PPolyproline II helixtrans-59.1149.2168.800000110.5D482 G571A480-D482 PolarHBondContact O-N 3.14Å; A480-G571 WeakPolarHBondContact CB-O 3.31Å
481T96.1Very high90.7Very high13 Ų1358.5 Ų58.58%0.0831%0.307CS..PPolyproline II helixtrans-73.9128.1-177.4-55.20000110.3D483 L529 T532 G571 V573T481-D483 PolarHBondContact O-N 3.02Å; T481-L529 WeakPolarHBondContact CG2-O 3.44Å; T481-L529 PolarHBondContact OG1-O 2.88Å; T481-T532 HydrophobicContact CG2-CG2 3.85Å; T481-G571 PolarHBondContact N-O 3.48Å; T481-G571 VanDerWaalsContact N-O 3.1Å; T481-V573 HydrophobicContact CG2-CB 3.97Å; T481-V573 HydrophobicContact CG2-CG2 4.16Å; T481-V573 PolarHBondContact OG1-N 2.91Å
482D96.6Very high91.6Very high71 Ų7160.7 Ų60.738%0.3832%0.317SS..BIsolated β-bridgetrans-76.9103.6169.317517.4000110.1A480 S484 P485 D530 Q531 T532A480-D482 PolarHBondContact O-N 3.14Å; D482-S484 WeakPolarHBondContact OD1-CB 3.46Å; D482-S484 PolarHBondContact OD1-N 2.81Å; D482-S484 PolarHBondContact OD1-OG 3.35Å; D482-S484 PolarHBondContact OD2-OG 2.8Å; D482-P485 WeakPolarHBondContact O-CD 3.28Å; D482-D530 PolarHBondContact N-O 3.41Å; D482-Q531 HydrophobicContact CB-CB 3.99Å; D482-Q531 CarbonylContact O-C 3.57Å; D482-Q531 WeakPolarHBondContact O-CA 3.34Å; D482-Q531 VanDerWaalsContact O-CB 3.3Å; D482-Q531 WeakPolarHBondContact O-CB 3.24Å; D482-T532 PolarHBondContact O-N 2.87Å
483D95.1Very high91.6Very high38 Ų3866.1 Ų66.120%0.20334%0.343CS..  trans-978.1178.876.15.4000113.8T481 P485 K486 T532 V573T481-D483 PolarHBondContact O-N 3.02Å; D483-P485 VanDerWaalsContact C-N 3.28Å; D483-K486 HydrophobicContact CB-CD 4.16Å; D483-K486 WeakPolarHBondContact O-CB 3.25Å; D483-K486 WeakPolarHBondContact O-CD 2.99Å; D483-K486 WeakPolarHBondContact O-CE 3.48Å; D483-K486 WeakPolarHBondContact O-CG 3.35Å; D483-K486 PolarHBondContact O-N 3.44Å; D483-K486 VanDerWaalsContact O-N 3.11Å; D483-K486 IonicContact OD1-NZ 4Å; D483-K486 PolarHBondContact OD1-NZ 3.04Å; D483-K486 VanDerWaalsContact OD1-NZ 3.07Å; D483-K486 IonicContact OD2-NZ 3.89Å; D483-K486 PolarHBondContact OD2-NZ 2.89Å; D483-T532 HydrophobicContact CB-CG2 4.09Å; D483-V573 HydrophobicContact CB-CG2 4.2Å
484S94.5Very high91.3Very high45 Ų4572.1 Ų72.132%0.31538%0.375SS..G310 helixtrans-56.3-29.3174.472.90000114.9D482 K486 Y487D482-S484 WeakPolarHBondContact OD1-CB 3.46Å; D482-S484 PolarHBondContact OD1-N 2.81Å; D482-S484 PolarHBondContact OD1-OG 3.35Å; D482-S484 PolarHBondContact OD2-OG 2.8Å; S484-K486 PolarHBondContact O-N 3.09Å; S484-K486 VanDerWaalsContact O-N 3.1Å; S484-Y487 PolarHBondContact O-N 2.87Å
485P96.8Very high91.4Very high3 Ų369 Ų692%0.01937%0.367CS..G310 helixtrans-58-21.9174.8-23.333.1000114.4D482 D483 Y487 R488 T502 Q531 T532D482-P485 WeakPolarHBondContact O-CD 3.28Å; D483-P485 VanDerWaalsContact C-N 3.28Å; P485-Y487 PolarHBondContact O-N 2.73Å; P485-R488 WeakPolarHBondContact O-CB 3.09Å; P485-R488 PolarHBondContact O-N 2.67Å; P485-T502 HydrophobicContact CB-CG2 3.9Å; P485-T502 HydrophobicContact CG-CG2 4.11Å; P485-Q531 HydrophobicContact CG-CB 4.31Å; P485-T532 WeakPolarHBondContact CD-O 3.35Å
486K95.4Very high91.8Very high6 Ų667.1 Ų67.13%0.02636%0.36CS..G310 helixtrans-60.3-2017878.4-159.7168.1-177.30113.7D483 S484 Y489 S533 Y535D483-K486 HydrophobicContact CB-CD 4.16Å; D483-K486 WeakPolarHBondContact O-CB 3.25Å; D483-K486 WeakPolarHBondContact O-CD 2.99Å; D483-K486 WeakPolarHBondContact O-CE 3.48Å; D483-K486 WeakPolarHBondContact O-CG 3.35Å; D483-K486 PolarHBondContact O-N 3.44Å; D483-K486 VanDerWaalsContact O-N 3.11Å; D483-K486 IonicContact OD1-NZ 4Å; D483-K486 PolarHBondContact OD1-NZ 3.04Å; D483-K486 VanDerWaalsContact OD1-NZ 3.07Å; D483-K486 IonicContact OD2-NZ 3.89Å; D483-K486 PolarHBondContact OD2-NZ 2.89Å; S484-K486 PolarHBondContact O-N 3.09Å; S484-K486 VanDerWaalsContact O-N 3.1Å; K486-Y489 VanDerWaalsContact O-CE1 3.32Å; K486-Y489 WeakPolarHBondContact O-CE1 3.28Å; K486-S533 WeakPolarHBondContact CA-O 3.45Å; K486-S533 WeakPolarHBondContact CB-O 3.45Å; K486-Y535 HydrophobicContact CD-CD2 4.02Å
487Y95.3Very high92.1Very high62 Ų6262.7 Ų62.724%0.24334%0.339CS..G310 helixtrans-94-0.5176.7-54.6-53.9000114.4S484 P485 Y489 G724 G725 T726S484-Y487 PolarHBondContact O-N 2.87Å; P485-Y487 PolarHBondContact O-N 2.73Å; Y487-Y489 PolarHBondContact O-N 2.87Å; Y487-Y489 VanDerWaalsContact O-N 3.12Å; Y487-G724 PolarHBondContact OH-O 3.26Å; Y487-G725 WeakPolarHBondContact CE1-O 3.41Å; Y487-T726 HydrophobicContact CD1-CG2 4.4Å; Y487-T726 HydrophobicContact CE1-CG2 4.46Å
488R94.9Very high92.3Very high99 Ų9961 Ų6137%0.37433%0.33SS..  trans-86.381.8-177.6-62.4-179.5-164.6160.28.8110.9P485 Q500P485-R488 WeakPolarHBondContact O-CB 3.09Å; P485-R488 PolarHBondContact O-N 2.67Å; R488-Q500 HydrophobicContact CB-CB 4.07Å; R488-Q500 HydrophobicContact CB-CG 4.28Å; R488-Q500 PolarHBondContact O-N 3.49Å
489Y95.1Very high92.3Very high22 Ų2261 Ų619%0.08633%0.329CS..EExtended strand (participates in β ladder)trans-145.1155.7174.450-100000111.1K486 Y487 Y497 E498 F499 M602 T726 H727 Q729K486-Y489 VanDerWaalsContact O-CE1 3.32Å; K486-Y489 WeakPolarHBondContact O-CE1 3.28Å; Y487-Y489 PolarHBondContact O-N 2.87Å; Y487-Y489 VanDerWaalsContact O-N 3.12Å; Y489-Y497 AromaticContact CD2-CD1 3.81Å; Y489-Y497 HydrophobicContact CD2-CD1 3.81Å; Y489-Y497 AromaticContact CD2-CE1 3.97Å; Y489-Y497 HydrophobicContact CD2-CE1 3.97Å; Y489-Y497 HydrophobicContact CE2-CD1 4.42Å; Y489-Y497 HydrophobicContact CE2-CE1 4.2Å; Y489-E498 CarbonylContact C-O 3.59Å; Y489-E498 WeakPolarHBondContact CA-O 3.43Å; Y489-E498 WeakPolarHBondContact CB-O 3.43Å; Y489-F499 HydrophobicContact CD1-CD1 4.04Å; Y489-F499 AromaticContact CD1-CE1 3.98Å; Y489-F499 HydrophobicContact CD1-CE1 3.98Å; Y489-F499 HydrophobicContact CG-CD1 4.08Å; Y489-F499 HydrophobicContact CG-CE1 4.01Å; Y489-M602 HydrophobicContact CD1-CE 4.49Å; Y489-M602 HydrophobicContact CD2-CE 3.87Å; Y489-M602 HydrophobicContact CE1-CE 4.06Å; Y489-M602 HydrophobicContact CE2-CE 3.37Å; Y489-M602 HydrophobicContact CG-CE 4.4Å; Y489-M602 VanDerWaalsContact CZ-CE 3.49Å; Y489-T726 HydrophobicContact CE1-CG2 4.34Å; Y489-H727 VanDerWaalsContact CE2-O 3.25Å; Y489-H727 WeakPolarHBondContact CE2-O 3.35Å; Y489-H727 PolarHBondContact OH-N 2.77Å; Y489-H727 PolarHBondContact OH-O 3.29Å; Y489-Q729 HydrophobicContact CE2-CG 4.32Å; Y489-Q729 PolarHBondContact O-NE2 2.76Å
490A94Very high92.3Very high52 Ų5262.8 Ų62.843%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-128.8148.117600000110.1Y497 E498A490-Y497 CarbonylContact O-C 3.47Å; A490-Y497 WeakPolarHBondContact O-CA 3.26Å; A490-E498 PolarHBondContact N-O 3.36Å; A490-E498 PolarHBondContact O-N 3.08Å
491S93.8Very high91.9Very high32 Ų3265 Ų6522%0.22434%0.34CS..EExtended strand (participates in β ladder)trans-110.9137.4174.468.10000112.5T496 Y497 Q729 H733S491-T496 VanDerWaalsContact CA-O 3.29Å; S491-T496 WeakPolarHBondContact CA-O 3.13Å; S491-Y497 WeakPolarHBondContact CB-OH 3.45Å; S491-Q729 PolarHBondContact OG-OE1 2.84Å; S491-Q729 VanDerWaalsContact OG-OE1 3.13Å; S491-H733 PolarHBondContact OG-CE1 3.39Å
492E90.4Very high91.8Very high115 Ų11564.6 Ų64.654%0.53734%0.338SS..  trans-78.3160.9166.4-65.3-66.5173.100111N494 G495 T496 H733E492-N494 WeakPolarHBondContact CB-OD1 3.21Å; E492-N494 PolarHBondContact O-N 3.42Å; E492-N494 VanDerWaalsContact O-N 3.07Å; E492-G495 PolarHBondContact O-N 3.35Å; E492-T496 PolarHBondContact N-O 3.11Å; E492-H733 PolarHBondContact O-CE1 2.91Å
493E84.5Confident91.8Very high196 Ų19663.2 Ų63.292%0.91633%0.333SS*.THydrogen-bonded Turntrans-57.6-25.7178.4-70-173.5171.400113.4G495E493-G495 PolarHBondContact O-N 2.93Å
494N82.1Confident91.9Very high126 Ų12661.5 Ų61.567%0.67433%0.325SS*.THydrogen-bonded Turntrans-81.92.4179.16912.4000113.7E492 T496E492-N494 WeakPolarHBondContact CB-OD1 3.21Å; E492-N494 PolarHBondContact O-N 3.42Å; E492-N494 VanDerWaalsContact O-N 3.07Å; N494-T496 WeakPolarHBondContact OD1-CB 3.33Å; N494-T496 PolarHBondContact OD1-N 2.99Å; N494-T496 PolarHBondContact OD1-OG1 2.78Å
495G84.1Confident92.1Very high12 Ų1261.1 Ų61.112%0.12432%0.32CS..SBendtrans81.69.4179.400000115.5E492 E493 Y497 R599E492-G495 PolarHBondContact O-N 3.35Å; E493-G495 PolarHBondContact O-N 2.93Å; G495-Y497 WeakPolarHBondContact O-CD2 3.44Å; G495-R599 PolarHBondContact O-NE 3.28Å; G495-R599 PolarHBondContact O-NH2 2.79Å; G495-R599 VanDerWaalsContact O-NH2 3.16Å
496T88.3Confident92.1Very high81 Ų8161 Ų6150%0.49732%0.319SS..  trans-75.6140.8168.6-520000109.6S491 E492 N494S491-T496 VanDerWaalsContact CA-O 3.29Å; S491-T496 WeakPolarHBondContact CA-O 3.13Å; E492-T496 PolarHBondContact N-O 3.11Å; N494-T496 WeakPolarHBondContact OD1-CB 3.33Å; N494-T496 PolarHBondContact OD1-N 2.99Å; N494-T496 PolarHBondContact OD1-OG1 2.78Å
497Y93.7Very high92.2Very high13 Ų1362.9 Ų62.95%0.05133%0.329CS..EExtended strand (participates in β ladder)trans-115.4133.3179.4-80-107.9000109.6Y489 A490 S491 G495 R599 M602 L728 Q729 H733Y489-Y497 AromaticContact CD2-CD1 3.81Å; Y489-Y497 HydrophobicContact CD2-CD1 3.81Å; Y489-Y497 AromaticContact CD2-CE1 3.97Å; Y489-Y497 HydrophobicContact CD2-CE1 3.97Å; Y489-Y497 HydrophobicContact CE2-CD1 4.42Å; Y489-Y497 HydrophobicContact CE2-CE1 4.2Å; A490-Y497 CarbonylContact O-C 3.47Å; A490-Y497 WeakPolarHBondContact O-CA 3.26Å; S491-Y497 WeakPolarHBondContact CB-OH 3.45Å; G495-Y497 WeakPolarHBondContact O-CD2 3.44Å; Y497-R599 VanDerWaalsContact CD2-CD 3.48Å; Y497-M602 HydrophobicContact CD1-CE 3.88Å; Y497-M602 HydrophobicContact CE1-CE 3.79Å; Y497-L728 HydrophobicContact CE2-CD2 3.99Å; Y497-L728 WeakPolarHBondContact OH-CA 3.42Å; Y497-Q729 HydrophobicContact CE1-CG 4.32Å; Y497-Q729 PolarHBondContact OH-N 3.32Å; Y497-H733 HydrophobicContact CE2-CB 4.28Å; Y497-H733 AromaticContact CE2-ND1 3.66Å; Y497-H733 AromaticContact CZ-ND1 3.77Å; Y497-H733 PolarHBondContact OH-ND1 3.48Å
498E93.5Very high92.2Very high136 Ų13660.2 Ų60.264%0.63632%0.32SS*.EExtended strand (participates in β ladder)trans-104.2121.6169.4-172.9179.6-17900108.4Y489 A490Y489-E498 CarbonylContact C-O 3.59Å; Y489-E498 WeakPolarHBondContact CA-O 3.43Å; Y489-E498 WeakPolarHBondContact CB-O 3.43Å; A490-E498 PolarHBondContact N-O 3.36Å; A490-E498 PolarHBondContact O-N 3.08Å
499F92.1Very high92.3Very high20 Ų2055.5 Ų55.59%0.08830%0.303CS..EExtended strand (participates in β ladder)trans-98.3129.7177.5-61.4-88.5000109.3Y489 I593 E595 R598 M602Y489-F499 HydrophobicContact CD1-CD1 4.04Å; Y489-F499 AromaticContact CD1-CE1 3.98Å; Y489-F499 HydrophobicContact CD1-CE1 3.98Å; Y489-F499 HydrophobicContact CG-CD1 4.08Å; Y489-F499 HydrophobicContact CG-CE1 4.01Å; F499-I593 HydrophobicContact CB-CD1 4.28Å; F499-I593 HydrophobicContact CD1-CD1 3.75Å; F499-I593 HydrophobicContact CD2-CD1 4.49Å; F499-I593 HydrophobicContact CE1-CD1 4.21Å; F499-I593 HydrophobicContact CG-CD1 3.91Å; F499-E595 HydrophobicContact CD2-CB 4.17Å; F499-E595 VanDerWaalsContact CD2-CD 3.5Å; F499-E595 HydrophobicContact CD2-CG 3.57Å; F499-E595 HydrophobicContact CE2-CB 4.06Å; F499-E595 HydrophobicContact CE2-CG 3.97Å; F499-E595 HydrophobicContact CG-CG 4.39Å; F499-R598 HydrophobicContact CE1-CG 3.73Å; F499-R598 HydrophobicContact CZ-CB 4.48Å; F499-R598 HydrophobicContact CZ-CG 3.68Å; F499-M602 HydrophobicContact CE1-SD 3.86Å; F499-M602 HydrophobicContact CZ-SD 3.84Å
500Q90.3Very high92.2Very high116 Ų11654.7 Ų54.754%0.54230%0.299SS..PPolyproline II helixtrans-71.1130.1-177.9-68.3-172.3-600110.8R488 T502R488-Q500 HydrophobicContact CB-CB 4.07Å; R488-Q500 HydrophobicContact CB-CG 4.28Å; R488-Q500 PolarHBondContact O-N 3.49Å; Q500-T502 PolarHBondContact O-N 3.03Å; Q500-T502 PolarHBondContact O-OG1 3.41Å
501P84.1Confident92Very high107 Ų10756 Ų5670%0.69529%0.293SS*.PPolyproline II helixtrans-55.8137.9173.1-24.733.9000111.1
502T94.4Very high91.5Very high5 Ų559.6 Ų59.63%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-121.9129.5178.1-58.40000109.3P485 Q500 Q531 S533 L591P485-T502 HydrophobicContact CB-CG2 3.9Å; P485-T502 HydrophobicContact CG-CG2 4.11Å; Q500-T502 PolarHBondContact O-N 3.03Å; Q500-T502 PolarHBondContact O-OG1 3.41Å; T502-Q531 HydrophobicContact CG2-CG 4.12Å; T502-S533 WeakPolarHBondContact OG1-CB 3.38Å; T502-L591 HydrophobicContact CG2-CD1 3.86Å; T502-L591 WeakPolarHBondContact O-CB 3.42Å; T502-L591 PolarHBondContact O-N 3.33Å
503S95.7Very high91.1Very high42 Ų4260.4 Ų60.429%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-105.8138.4172.3-59.60000109.5E551 V589S503-E551 WeakPolarHBondContact CB-OE1 3.47Å; S503-E551 PolarHBondContact OG-OE1 3.16Å; S503-V589 CarbonylContact C-O 3.45Å; S503-V589 WeakPolarHBondContact CA-O 3.36Å
504A97.2Very high91.2Very high2 Ų253.6 Ų53.62%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-142.4160-174.600000111.4L529 D530 Q531 R588 V589 L591A504-L529 HydrophobicContact CB-CB 4.13Å; A504-L529 HydrophobicContact CB-CD1 3.99Å; A504-L529 HydrophobicContact CB-CD2 4.37Å; A504-L529 HydrophobicContact CB-CG 4.4Å; A504-D530 VanDerWaalsContact CA-OD1 3.3Å; A504-D530 WeakPolarHBondContact CA-OD1 3.49Å; A504-D530 WeakPolarHBondContact CB-OD1 3.33Å; A504-Q531 HydrophobicContact CB-CG 4.14Å; A504-Q531 WeakPolarHBondContact CB-O 3.44Å; A504-R588 WeakPolarHBondContact O-CA 3.38Å; A504-V589 PolarHBondContact N-O 2.89Å; A504-V589 PolarHBondContact O-N 3.45Å; A504-L591 HydrophobicContact CB-CD1 3.87Å; A504-L591 HydrophobicContact CB-CG 4.43Å
505T97.7Very high91.8Very high36 Ų3649.4 Ų49.422%0.22126%0.261CS..EExtended strand (participates in β ladder)trans-107.1133.9176.7-51.90000109.9L507 L529 D530 D587T505-L507 PolarHBondContact O-N 2.97Å; T505-L529 WeakPolarHBondContact O-CA 3.31Å; T505-D530 PolarHBondContact N-OD1 3.45Å; T505-D530 PolarHBondContact O-N 3.37Å; T505-D587 WeakPolarHBondContact CA-O 3.27Å
506V97.6Very high92.2Very high1 Ų150.3 Ų50.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-70114.9174-178.90000109.7L509 V527 L529 L583 G586 D587 V589V506-L509 HydrophobicContact CG1-CD2 3.71Å; V506-L509 HydrophobicContact CG1-CG 3.95Å; V506-V527 HydrophobicContact CG1-CG1 4.17Å; V506-V527 HydrophobicContact CG2-CG1 4.25Å; V506-L529 HydrophobicContact CB-CD2 4.49Å; V506-L529 HydrophobicContact CG2-CD2 4Å; V506-L583 HydrophobicContact CG2-CD1 3.91Å; V506-G586 PolarHBondContact O-N 3Å; V506-D587 HydrophobicContact CG2-CB 4.27Å; V506-D587 PolarHBondContact N-O 2.85Å; V506-V589 HydrophobicContact CG2-CG1 4.29Å
507L97.3Very high92.6Very high45 Ų4553.1 Ų53.124%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-93.4-34.3179.6-61.6-173.8000112.7V478 P479 T505 L528 D530 V585V478-L507 HydrophobicContact CG1-CB 3.87Å; V478-L507 HydrophobicContact CG1-CD1 3.88Å; P479-L507 HydrophobicContact CG-CD1 3.96Å; T505-L507 PolarHBondContact O-N 2.97Å; L507-L528 PolarHBondContact N-O 3Å; L507-D530 HydrophobicContact CD1-CB 3.88Å; L507-D530 HydrophobicContact CD2-CB 4.29Å; L507-D530 HydrophobicContact CG-CB 4.16Å; L507-V585 WeakPolarHBondContact O-CG1 3.4Å
508A96.6Very high92.6Very high6 Ų657.2 Ų57.25%0.0529%0.292CS..EExtended strand (participates in β ladder)trans-155.7151.7176.900000111.6L473 F515 L528L473-A508 HydrophobicContact CD2-CB 3.83Å; A508-F515 HydrophobicContact CB-CD1 3.97Å; A508-F515 HydrophobicContact CB-CE1 4.12Å; A508-L528 HydrophobicContact CB-CB 4.17Å; A508-L528 HydrophobicContact CB-CD1 4.2Å; A508-L528 PolarHBondContact N-O 3.41Å; A508-L528 PolarHBondContact O-N 3.39Å
509L96.4Very high92.5Very high1 Ų150.7 Ų50.71%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-120.7134.7172.6-60.2171.6000108.5V506 F515 C516 V519 G526 V527 L583 V585V506-L509 HydrophobicContact CG1-CD2 3.71Å; V506-L509 HydrophobicContact CG1-CG 3.95Å; L509-F515 CarbonylContact O-C 3.57Å; L509-F515 VanDerWaalsContact O-CA 3.24Å; L509-F515 WeakPolarHBondContact O-CA 3.34Å; L509-F515 WeakPolarHBondContact O-CD1 3.38Å; L509-C516 PolarHBondContact O-N 3.08Å; L509-V519 HydrophobicContact CB-CG2 4.13Å; L509-V519 HydrophobicContact CD1-CG2 4.03Å; L509-G526 CarbonylContact C-O 3.47Å; L509-G526 WeakPolarHBondContact CA-O 3.46Å; L509-V527 HydrophobicContact CD2-CB 4.27Å; L509-V527 HydrophobicContact CD2-CG1 4.11Å; L509-V527 HydrophobicContact CD2-CG2 3.76Å; L509-L583 HydrophobicContact CD1-CG 4.29Å; L509-L583 WeakPolarHBondContact CD1-O 3.49Å; L509-L583 HydrophobicContact CD2-CD2 3.62Å; L509-L583 HydrophobicContact CD2-CG 4.03Å; L509-V585 HydrophobicContact CB-CG2 4.46Å; L509-V585 HydrophobicContact CD1-CG2 4.2Å; L509-V585 HydrophobicContact CG-CG2 4Å
510R93.6Very high92.3Very high5 Ų552.4 Ų52.42%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-124.7130.2-179.6-173172.2177.778.5-1.2111.1I463 M464 D466 A469 R513 A514 F515 C525 G526I463-R510 WeakPolarHBondContact O-CD 3.34Å; M464-R510 PolarHBondContact O-NE 2.9Å; D466-R510 IonicContact OD1-NH2 3.86Å; D466-R510 IonicContact OD2-NH2 2.69Å; D466-R510 PolarHBondContact OD2-NH2 3.28Å; A469-R510 VanDerWaalsContact CB-NH1 3.32Å; R510-R513 PolarHBondContact NH1-O 3.01Å; R510-R513 VanDerWaalsContact NH1-O 3.17Å; R510-R513 PolarHBondContact NH2-O 2.87Å; R510-A514 WeakPolarHBondContact CA-O 3.4Å; R510-F515 HydrophobicContact CB-CD1 4.03Å; R510-F515 HydrophobicContact CB-CE1 4.05Å; R510-F515 HydrophobicContact CG-CD1 4.47Å; R510-F515 HydrophobicContact CG-CE1 4.39Å; R510-C525 CarbonylContact O-C 3.35Å; R510-C525 WeakPolarHBondContact O-CA 3.45Å; R510-C525 WeakPolarHBondContact O-CB 3.37Å; R510-G526 PolarHBondContact N-O 3.26Å; R510-G526 PolarHBondContact O-N 3.46Å
511R89.1Confident92.1Very high80 Ų8050.7 Ų50.730%0.30227%0.271SS..EExtended strand (participates in β ladder)trans-146.6142.6176.1-163.7-176.684.6-140.2-4.1109.5R513 A514 E524 C525R511-R513 VanDerWaalsContact C-N 3.27Å; R511-R513 PolarHBondContact O-N 3.48Å; R511-A514 PolarHBondContact N-O 2.97Å; R511-A514 PolarHBondContact O-N 3.35Å; R511-E524 WeakPolarHBondContact CG-O 3.47Å; R511-C525 HydrophobicContact CB-CB 4.4Å
512D83.6Confident91.8Very high107 Ų10748.4 Ų48.457%0.57227%0.267SS*.THydrogen-bonded Turntrans50.744.1174.3-53.3-44.7000113.4A514D512-A514 PolarHBondContact O-N 3.49Å
513R80.9Confident91.3Very high132 Ų13251 Ų5150%0.49828%0.279SS..THydrogen-bonded Turntrans649.6-176.3-56.1-178.7173.7178.6-4.8116.6D461 H462 R510 R511D461-R513 PolarHBondContact O-NE 2.75Å; H462-R513 HydrophobicContact CB-CG 4.47Å; H462-R513 PolarHBondContact ND1-NE 3.35Å; H462-R513 WeakPolarHBondContact O-CA 3.35Å; H462-R513 WeakPolarHBondContact O-CG 3.46Å; H462-R513 PolarHBondContact O-N 2.72Å; R510-R513 PolarHBondContact NH1-O 3.01Å; R510-R513 VanDerWaalsContact NH1-O 3.17Å; R510-R513 PolarHBondContact NH2-O 2.87Å; R511-R513 VanDerWaalsContact C-N 3.27Å; R511-R513 PolarHBondContact O-N 3.48Å
514A87.6Confident91Very high52 Ų5253.5 Ų53.543%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-125.1152.8178.800000112.3R510 R511 D512R510-A514 WeakPolarHBondContact CA-O 3.4Å; R511-A514 PolarHBondContact N-O 2.97Å; R511-A514 PolarHBondContact O-N 3.35Å; D512-A514 PolarHBondContact O-N 3.49Å
515F93.3Very high90.8Very high38 Ų3853.4 Ų53.417%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-81.3140.9168.5-66.4-77.3000110.9L465 A469 E472 L473 A508 L509 R510 L528L465-F515 HydrophobicContact CD2-CE1 4.32Å; L465-F515 HydrophobicContact CD2-CZ 4.02Å; A469-F515 HydrophobicContact CB-CE2 4Å; A469-F515 HydrophobicContact CB-CZ 3.93Å; E472-F515 HydrophobicContact CB-CE2 4.14Å; E472-F515 VanDerWaalsContact CD-CD2 3.43Å; E472-F515 HydrophobicContact CG-CD2 4.14Å; E472-F515 HydrophobicContact CG-CE2 4.19Å; E472-F515 WeakPolarHBondContact OE2-CD2 3.39Å; L473-F515 HydrophobicContact CD1-CE1 4.18Å; L473-F515 HydrophobicContact CD1-CZ 3.73Å; L473-F515 HydrophobicContact CD2-CD1 4.48Å; L473-F515 HydrophobicContact CD2-CE1 3.75Å; L473-F515 HydrophobicContact CD2-CE2 4.47Å; L473-F515 HydrophobicContact CD2-CZ 3.74Å; L473-F515 HydrophobicContact CG-CE1 4.03Å; L473-F515 HydrophobicContact CG-CE2 4.17Å; L473-F515 HydrophobicContact CG-CZ 3.51Å; A508-F515 HydrophobicContact CB-CD1 3.97Å; A508-F515 HydrophobicContact CB-CE1 4.12Å; L509-F515 CarbonylContact O-C 3.57Å; L509-F515 VanDerWaalsContact O-CA 3.24Å; L509-F515 WeakPolarHBondContact O-CA 3.34Å; L509-F515 WeakPolarHBondContact O-CD1 3.38Å; R510-F515 HydrophobicContact CB-CD1 4.03Å; R510-F515 HydrophobicContact CB-CE1 4.05Å; R510-F515 HydrophobicContact CG-CD1 4.47Å; R510-F515 HydrophobicContact CG-CE1 4.39Å; F515-L528 HydrophobicContact CE1-CD1 4.47Å
516C94.1Very high90.8Very high32 Ų3251.7 Ų51.722%0.21628%0.275CS..EExtended strand (participates in β ladder)trans-130.6161.7177.564.60000111.3L509 E518 V519L509-C516 PolarHBondContact O-N 3.08Å; C516-E518 PolarHBondContact SG-O 3.02Å; C516-V519 WeakPolarHBondContact SG-CG2 3.34Å
517Q95.2Very high90.7Very high140 Ų14051.7 Ų51.765%0.65428%0.275SS*.SBendtrans-89.4-23.4-179.8-67.8-61.6-48.600112.9K584 V585Q517-K584 WeakPolarHBondContact O-CA 3.15Å; Q517-V585 PolarHBondContact O-N 3.45Å
518E93.6Very high90.8Very high98 Ų9849.6 Ų49.646%0.45826%0.264SS..EExtended strand (participates in β ladder)trans-148151.6179.765.3-179.5-16100111.9C516 L583 K584C516-E518 PolarHBondContact SG-O 3.02Å; E518-L583 CarbonylContact C-O 3.56Å; E518-L583 VanDerWaalsContact CA-O 3.29Å; E518-L583 WeakPolarHBondContact CA-O 3.45Å; E518-K584 HydrophobicContact CB-CD 4.48Å; E518-K584 HydrophobicContact CB-CG 3.93Å; E518-K584 WeakPolarHBondContact OE2-CE 3.46Å; E518-K584 IonicContact OE2-NZ 3.08Å; E518-K584 PolarHBondContact OE2-NZ 3.47Å
519V91.6Very high90.8Very high0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-135.3140.3173.7-173.90000108.1L509 C516 Q523 C525 V579 T582 L583L509-V519 HydrophobicContact CB-CG2 4.13Å; L509-V519 HydrophobicContact CD1-CG2 4.03Å; C516-V519 WeakPolarHBondContact SG-CG2 3.34Å; V519-Q523 HydrophobicContact CG1-CB 3.52Å; V519-Q523 HydrophobicContact CG1-CG 4.43Å; V519-Q523 VanDerWaalsContact CG1-OE1 3.26Å; V519-C525 HydrophobicContact CG1-CB 4.01Å; V519-C525 HydrophobicContact CG2-CB 3.91Å; V519-V579 HydrophobicContact CB-CG1 4.32Å; V519-V579 HydrophobicContact CG1-CG1 3.65Å; V519-T582 WeakPolarHBondContact O-CA 3.42Å; V519-L583 PolarHBondContact N-O 3.37Å; V519-L583 PolarHBondContact O-N 2.94Å
520T89.6Confident90.9Very high55 Ų5551.5 Ų51.534%0.33727%0.273SS..EExtended strand (participates in β ladder)trans-120165-174.3600000112.8G522 Q523 V579 G581 T582T520-G522 PolarHBondContact O-N 3.11Å; T520-Q523 VanDerWaalsContact O-CB 3.28Å; T520-Q523 WeakPolarHBondContact O-CB 3.22Å; T520-Q523 WeakPolarHBondContact O-CG 3.41Å; T520-Q523 PolarHBondContact O-N 3.08Å; T520-Q523 VanDerWaalsContact O-N 3.16Å; T520-V579 WeakPolarHBondContact O-CG1 3.44Å; T520-G581 CarbonylContact C-O 3.6Å; T520-G581 WeakPolarHBondContact CA-O 3.34Å; T520-T582 HydrophobicContact CG2-CG2 4.22Å
521T85.9Confident91.1Very high80 Ų8053.7 Ų53.749%0.49128%0.283SS..THydrogen-bonded Turntrans-38.5129.8-174.1-56.70000114.5Q523 V579 Y580 G581T521-Q523 VanDerWaalsContact C-N 3.28Å; T521-Q523 PolarHBondContact O-N 2.88Å; T521-V579 CarbonylContact C-O 3.57Å; T521-V579 WeakPolarHBondContact CA-O 3.3Å; T521-Y580 HydrophobicContact CG2-CD2 3.9Å; T521-Y580 HydrophobicContact CG2-CE2 4.3Å; T521-G581 PolarHBondContact N-O 3.49Å; T521-G581 WeakPolarHBondContact OG1-CA 3.33Å; T521-G581 PolarHBondContact OG1-N 2.97Å; T521-G581 PolarHBondContact OG1-O 2.92Å
522G77.2Confident91.5Very high59 Ų5949.9 Ų49.961%0.60827%0.269SS*.THydrogen-bonded Turntrans84.7-5.8174.700000114.5T520 V579T520-G522 PolarHBondContact O-N 3.11Å; G522-V579 PolarHBondContact N-O 2.73Å
523Q83.6Confident92.1Very high59 Ų5945.2 Ų45.228%0.27625%0.245SC..  trans-82.5138.7174.3-64.1176.5-15.900110.7V519 T520 T521 V579V519-Q523 HydrophobicContact CG1-CB 3.52Å; V519-Q523 HydrophobicContact CG1-CG 4.43Å; V519-Q523 VanDerWaalsContact CG1-OE1 3.26Å; T520-Q523 VanDerWaalsContact O-CB 3.28Å; T520-Q523 WeakPolarHBondContact O-CB 3.22Å; T520-Q523 WeakPolarHBondContact O-CG 3.41Å; T520-Q523 PolarHBondContact O-N 3.08Å; T520-Q523 VanDerWaalsContact O-N 3.16Å; T521-Q523 VanDerWaalsContact C-N 3.28Å; T521-Q523 PolarHBondContact O-N 2.88Å; Q523-V579 PolarHBondContact O-N 2.78Å
524E89.3Confident92.9Very high96 Ų9638.9 Ų38.945%0.44922%0.221SC..EExtended strand (participates in β ladder)trans-87.2135.4168.6-163.9172-138.800109.3I463 R511 G577I463-E524 HydrophobicContact CD1-CB 4.17Å; I463-E524 HydrophobicContact CD1-CG 3.65Å; R511-E524 WeakPolarHBondContact CG-O 3.47Å; E524-G577 CarbonylContact C-O 3.45Å; E524-G577 VanDerWaalsContact CA-O 3.27Å; E524-G577 WeakPolarHBondContact CA-O 3.46Å; E524-G577 WeakPolarHBondContact CG-O 3.46Å
525C94Very high93.4Very high0 Ų036.5 Ų36.50%020%0.201CC..EExtended strand (participates in β ladder)trans-151.7166.5177.268.80000111.4R510 R511 V519 F561 I576 G577R510-C525 CarbonylContact O-C 3.35Å; R510-C525 WeakPolarHBondContact O-CA 3.45Å; R510-C525 WeakPolarHBondContact O-CB 3.37Å; R511-C525 HydrophobicContact CB-CB 4.4Å; V519-C525 HydrophobicContact CG1-CB 4.01Å; V519-C525 HydrophobicContact CG2-CB 3.91Å; C525-F561 VanDerWaalsContact SG-CE2 3.56Å; C525-I576 WeakPolarHBondContact O-CA 3.46Å; C525-G577 PolarHBondContact N-O 2.87Å; C525-G577 PolarHBondContact O-N 3.08Å
526G96Very high93.4Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-98.5134.3167.100000110.6L509 R510 H575L509-G526 CarbonylContact C-O 3.47Å; L509-G526 WeakPolarHBondContact CA-O 3.46Å; R510-G526 PolarHBondContact N-O 3.26Å; R510-G526 PolarHBondContact O-N 3.46Å; G526-H575 CarbonylContact C-O 3.57Å; G526-H575 WeakPolarHBondContact CA-O 3.44Å
527V97.5Very high93.3Very high0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-114.4125.5179.6-176.50000109.3V506 L509 L529 M548 F561 H575 L583V506-V527 HydrophobicContact CG1-CG1 4.17Å; V506-V527 HydrophobicContact CG2-CG1 4.25Å; L509-V527 HydrophobicContact CD2-CB 4.27Å; L509-V527 HydrophobicContact CD2-CG1 4.11Å; L509-V527 HydrophobicContact CD2-CG2 3.76Å; V527-L529 HydrophobicContact CG1-CD2 3.78Å; V527-L529 HydrophobicContact CG1-CG 4.3Å; V527-M548 HydrophobicContact CG1-SD 4.44Å; V527-F561 HydrophobicContact CB-CE1 4.22Å; V527-F561 HydrophobicContact CB-CZ 4.39Å; V527-F561 HydrophobicContact CG2-CD1 4.01Å; V527-F561 HydrophobicContact CG2-CD2 4.14Å; V527-F561 HydrophobicContact CG2-CE1 3.58Å; V527-F561 HydrophobicContact CG2-CE2 3.74Å; V527-F561 HydrophobicContact CG2-CG 4.25Å; V527-F561 HydrophobicContact CG2-CZ 3.43Å; V527-F561 VanDerWaalsContact CG2-CZ 3.43Å; V527-H575 HydrophobicContact CB-CB 4.37Å; V527-H575 PolarHBondContact N-O 2.84Å; V527-H575 PolarHBondContact O-N 3.23Å; V527-H575 PolarHBondContact O-ND1 3Å; V527-L583 HydrophobicContact CG1-CD2 4.41Å; V527-L583 HydrophobicContact CG2-CD2 3.66Å
528L97.5Very high92.9Very high2 Ų233.5 Ų33.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-103.9135170.8-66.3-176.7000110.5L465 L473 L507 A508 F515 Y572 V573 L574L465-L528 HydrophobicContact CD1-CD1 4.32Å; L465-L528 HydrophobicContact CD1-CD2 4.23Å; L465-L528 HydrophobicContact CD2-CD1 4.45Å; L473-L528 HydrophobicContact CD1-CD1 3.35Å; L473-L528 HydrophobicContact CD2-CD1 3.79Å; L473-L528 HydrophobicContact CG-CD1 4.23Å; L507-L528 PolarHBondContact N-O 3Å; A508-L528 HydrophobicContact CB-CB 4.17Å; A508-L528 HydrophobicContact CB-CD1 4.2Å; A508-L528 PolarHBondContact N-O 3.41Å; A508-L528 PolarHBondContact O-N 3.39Å; F515-L528 HydrophobicContact CE1-CD1 4.47Å; L528-Y572 HydrophobicContact CD1-CD1 4.36Å; L528-V573 VanDerWaalsContact CD2-O 3.25Å; L528-V573 WeakPolarHBondContact CD2-O 3.32Å; L528-L574 HydrophobicContact CD2-CB 4.1Å; L528-L574 HydrophobicContact CD2-CD1 3.69Å; L528-L574 HydrophobicContact CG-CD1 4Å
529L98Very high92.5Very high0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-121.4159.7-176.8-57.4177.5000110.6T481 A504 T505 V506 V527 Q531 M548 V589 L591T481-L529 WeakPolarHBondContact CG2-O 3.44Å; T481-L529 PolarHBondContact OG1-O 2.88Å; A504-L529 HydrophobicContact CB-CB 4.13Å; A504-L529 HydrophobicContact CB-CD1 3.99Å; A504-L529 HydrophobicContact CB-CD2 4.37Å; A504-L529 HydrophobicContact CB-CG 4.4Å; T505-L529 WeakPolarHBondContact O-CA 3.31Å; V506-L529 HydrophobicContact CB-CD2 4.49Å; V506-L529 HydrophobicContact CG2-CD2 4Å; V527-L529 HydrophobicContact CG1-CD2 3.78Å; V527-L529 HydrophobicContact CG1-CG 4.3Å; L529-Q531 WeakPolarHBondContact CB-O 3.32Å; L529-M548 HydrophobicContact CD1-CE 3.82Å; L529-M548 HydrophobicContact CD1-SD 4.09Å; L529-V589 HydrophobicContact CD2-CG2 4.01Å; L529-L591 HydrophobicContact CD1-CD1 4.04Å; L529-L591 HydrophobicContact CD1-CD2 3.54Å; L529-L591 HydrophobicContact CD1-CG 4.33Å
530D97.3Very high92.2Very high47 Ų4732.9 Ų32.925%0.25120%0.204SC..SBendtrans-68-39.5170.663.1-23000112.3D482 A504 T505 L507D482-D530 PolarHBondContact N-O 3.41Å; A504-D530 VanDerWaalsContact CA-OD1 3.3Å; A504-D530 WeakPolarHBondContact CA-OD1 3.49Å; A504-D530 WeakPolarHBondContact CB-OD1 3.33Å; T505-D530 PolarHBondContact N-OD1 3.45Å; T505-D530 PolarHBondContact O-N 3.37Å; L507-D530 HydrophobicContact CD1-CB 3.88Å; L507-D530 HydrophobicContact CD2-CB 4.29Å; L507-D530 HydrophobicContact CG-CB 4.16Å
531Q97.9Very high92.4Very high50 Ų5030.2 Ų30.223%0.23419%0.188CC..BIsolated β-bridgetrans-143.7159.3174.771.6-168.9-75.200111.8D482 P485 T502 A504 L529D482-Q531 HydrophobicContact CB-CB 3.99Å; D482-Q531 CarbonylContact O-C 3.57Å; D482-Q531 WeakPolarHBondContact O-CA 3.34Å; D482-Q531 VanDerWaalsContact O-CB 3.3Å; D482-Q531 WeakPolarHBondContact O-CB 3.24Å; P485-Q531 HydrophobicContact CG-CB 4.31Å; T502-Q531 HydrophobicContact CG2-CG 4.12Å; A504-Q531 HydrophobicContact CB-CG 4.14Å; A504-Q531 WeakPolarHBondContact CB-O 3.44Å; L529-Q531 WeakPolarHBondContact CB-O 3.32Å
532T97.9Very high92.7Very high0 Ų027.1 Ų27.10%017%0.169CC..  trans-152147.3177.8-170.60000114.6T481 D482 D483 P485 F534 V573 H575T481-T532 HydrophobicContact CG2-CG2 3.85Å; D482-T532 PolarHBondContact O-N 2.87Å; D483-T532 HydrophobicContact CB-CG2 4.09Å; P485-T532 WeakPolarHBondContact CD-O 3.35Å; T532-F534 PolarHBondContact OG1-N 2.82Å; T532-F534 VanDerWaalsContact OG1-N 3.13Å; T532-V573 HydrophobicContact CG2-CB 4.08Å; T532-V573 HydrophobicContact CG2-CG1 3.91Å; T532-V573 HydrophobicContact CG2-CG2 4.3Å; T532-H575 WeakPolarHBondContact CB-NE2 3.39Å; T532-H575 PolarHBondContact OG1-NE2 3.16Å
533S96.7Very high93.5Very high9 Ų926 Ų266%0.06315%0.147CC..SBendtrans-92-7.8169.356.20000113.6K486 T502 R598K486-S533 WeakPolarHBondContact CA-O 3.45Å; K486-S533 WeakPolarHBondContact CB-O 3.45Å; T502-S533 WeakPolarHBondContact OG1-CB 3.38Å; S533-R598 PolarHBondContact O-NH2 2.82Å
534F97.1Very high94Very high0 Ų023.2 Ų23.20%013%0.134CC..SBendtrans-75133.5177.2-74-107.7000110.5T532 D544 V563 T566 H575 L591 H592 I593T532-F534 PolarHBondContact OG1-N 2.82Å; T532-F534 VanDerWaalsContact OG1-N 3.13Å; F534-D544 HydrophobicContact CB-CB 4.49Å; F534-D544 HydrophobicContact CD1-CB 3.88Å; F534-V563 HydrophobicContact CD1-CB 4.48Å; F534-V563 HydrophobicContact CD1-CG1 4.11Å; F534-V563 HydrophobicContact CE1-CB 3.79Å; F534-V563 HydrophobicContact CE1-CG1 3.92Å; F534-V563 HydrophobicContact CE1-CG2 3.9Å; F534-V563 HydrophobicContact CZ-CB 4.28Å; F534-V563 HydrophobicContact CZ-CG2 3.92Å; F534-T566 HydrophobicContact CB-CG2 3.98Å; F534-H575 AromaticContact CG-CD2 3.98Å; F534-L591 HydrophobicContact CD2-CB 4.41Å; F534-L591 HydrophobicContact CD2-CD2 4.17Å; F534-L591 HydrophobicContact CE2-CB 3.96Å; F534-L591 HydrophobicContact CE2-CD2 3.85Å; F534-L591 HydrophobicContact CE2-CG 4.46Å; F534-H592 WeakPolarHBondContact CZ-O 3.48Å; F534-I593 HydrophobicContact CD1-CG2 4.03Å; F534-I593 HydrophobicContact CD2-CG2 3.82Å; F534-I593 HydrophobicContact CE1-CG2 4.12Å; F534-I593 HydrophobicContact CE2-CG2 3.9Å; F534-I593 HydrophobicContact CG-CG2 3.87Å; F534-I593 HydrophobicContact CZ-CG2 4.05Å
535Y97.3Very high94Very high2 Ų221.5 Ų21.51%0.00813%0.126CC..PPolyproline II helixtrans-82.6121.6171.1-173.1-89.8000109K486 Q538 Q541 F543 D544 G724 T726K486-Y535 HydrophobicContact CD-CD2 4.02Å; Y535-Q538 HydrophobicContact CE1-CG 4.01Å; Y535-Q538 HydrophobicContact CE2-CG 4.4Å; Y535-Q538 WeakPolarHBondContact OH-CG 3.45Å; Y535-Q538 PolarHBondContact OH-O 2.8Å; Y535-Q541 HydrophobicContact CD1-CB 4.44Å; Y535-Q541 HydrophobicContact CD1-CG 3.81Å; Y535-Q541 HydrophobicContact CE1-CB 3.59Å; Y535-Q541 VanDerWaalsContact CE1-CD 3.48Å; Y535-Q541 HydrophobicContact CE1-CG 3.45Å; Y535-Q541 VanDerWaalsContact CE1-CG 3.45Å; Y535-F543 WeakPolarHBondContact O-CA 3.38Å; Y535-D544 WeakPolarHBondContact CA-OD2 3.38Å; Y535-D544 WeakPolarHBondContact CB-OD2 3.49Å; Y535-D544 PolarHBondContact N-OD2 3.27Å; Y535-D544 PolarHBondContact O-N 3.5Å; Y535-G724 WeakPolarHBondContact CE2-O 3.48Å; Y535-T726 HydrophobicContact CD2-CG2 4Å
536A95.3Very high93.8Very high0 Ų022 Ų220%013%0.132CC..PPolyproline II helixtrans-76.7142.5169.700000110.9Q538 T566 V568 V573A536-Q538 WeakPolarHBondContact O-CG 3.35Å; A536-Q538 PolarHBondContact O-N 3.3Å; A536-Q538 VanDerWaalsContact O-N 3.12Å; A536-T566 WeakPolarHBondContact CA-O 3.2Å; A536-T566 HydrophobicContact CB-CG2 4.06Å; A536-V568 HydrophobicContact CB-CB 3.71Å; A536-V568 HydrophobicContact CB-CG1 3.91Å; A536-V573 HydrophobicContact CB-CG1 4.12Å
537E90.1Very high93.5Very high82 Ų8226.3 Ų26.338%0.38315%0.148SC..SBendtrans-57.8117.8178.6-179.2174-171.500111.8Q541 F543 T566 Q567E537-Q541 WeakPolarHBondContact CA-O 3.43Å; E537-F543 HydrophobicContact CB-CB 3.97Å; E537-F543 HydrophobicContact CB-CD1 3.98Å; E537-F543 HydrophobicContact CB-CG 4.49Å; E537-F543 VanDerWaalsContact OE2-CD1 3.31Å; E537-F543 WeakPolarHBondContact OE2-CD1 3.44Å; E537-T566 PolarHBondContact N-O 3.12Å; E537-Q567 PolarHBondContact OE2-NE2 3.08Å
538Q88.4Confident93.3Very high65 Ų6526.4 Ų26.430%0.30415%0.149SC..BIsolated β-bridgetrans-168.4159.2178.666.4-171.91.600110.2Y535 A536 G540 Q541Y535-Q538 HydrophobicContact CE1-CG 4.01Å; Y535-Q538 HydrophobicContact CE2-CG 4.4Å; Y535-Q538 WeakPolarHBondContact OH-CG 3.45Å; Y535-Q538 PolarHBondContact OH-O 2.8Å; A536-Q538 WeakPolarHBondContact O-CG 3.35Å; A536-Q538 PolarHBondContact O-N 3.3Å; A536-Q538 VanDerWaalsContact O-N 3.12Å; Q538-G540 PolarHBondContact O-N 3.4Å; Q538-Q541 PolarHBondContact N-O 3.34Å; Q538-Q541 PolarHBondContact O-N 2.62Å; Q538-Q541 VanDerWaalsContact O-N 3.09Å
539G83.5Confident92.9Very high56 Ų5627.6 Ų27.658%0.57716%0.155SC*.THydrogen-bonded Turntrans60.927.3175.100000114Q541G539-Q541 PolarHBondContact O-N 3.08Å
540G86.8Confident92.5Very high28 Ų2830.7 Ų30.729%0.28917%0.167SC..THydrogen-bonded Turntrans79.5-11.1-175.600000115.2Q538 L628 V629Q538-G540 PolarHBondContact O-N 3.4Å; G540-L628 CarbonylContact O-C 3.5Å; G540-L628 VanDerWaalsContact O-CA 3.3Å; G540-L628 WeakPolarHBondContact O-CA 3.24Å; G540-V629 PolarHBondContact O-N 3.03Å
541Q93.5Very high91.8Very high0 Ų031.8 Ų31.80%017%0.17CC..BIsolated β-bridgetrans-82.1127.9173.9173.1177.6-23.700111.2Y535 E537 Q538 G539 I601 H605 V629 T726Y535-Q541 HydrophobicContact CD1-CB 4.44Å; Y535-Q541 HydrophobicContact CD1-CG 3.81Å; Y535-Q541 HydrophobicContact CE1-CB 3.59Å; Y535-Q541 VanDerWaalsContact CE1-CD 3.48Å; Y535-Q541 HydrophobicContact CE1-CG 3.45Å; Y535-Q541 VanDerWaalsContact CE1-CG 3.45Å; E537-Q541 WeakPolarHBondContact CA-O 3.43Å; Q538-Q541 PolarHBondContact N-O 3.34Å; Q538-Q541 PolarHBondContact O-N 2.62Å; Q538-Q541 VanDerWaalsContact O-N 3.09Å; G539-Q541 PolarHBondContact O-N 3.08Å; Q541-I601 HydrophobicContact CG-CG2 3.59Å; Q541-H605 PolarHBondContact OE1-CE1 2.87Å; Q541-H605 PolarHBondContact OE1-ND1 2.79Å; Q541-V629 HydrophobicContact CB-CB 4.38Å; Q541-T726 PolarHBondContact NE2-OG1 2.97Å; Q541-T726 VanDerWaalsContact OE1-N 3.09Å; Q541-T726 PolarHBondContact OE1-OG1 3.4Å
542T91.7Very high90.5Very high15 Ų1536 Ų369%0.09219%0.194CC..PPolyproline II helixtrans-67.2150174.959.70000111.4L628 V629 A630T542-L628 HydrophobicContact CG2-CD1 3.69Å; T542-V629 WeakPolarHBondContact CG2-O 3.47Å; T542-V629 PolarHBondContact N-O 3.32Å; T542-V629 PolarHBondContact OG1-O 3.3Å; T542-A630 HydrophobicContact CG2-CB 4.34Å
543F94.7Very high88.9Confident35 Ų3536.6 Ų36.615%0.15420%0.198CC..PPolyproline II helixtrans-57.8159.2177.754.2-101000114Y535 E537 E545 K564 N565 T566 R597Y535-F543 WeakPolarHBondContact O-CA 3.38Å; E537-F543 HydrophobicContact CB-CB 3.97Å; E537-F543 HydrophobicContact CB-CD1 3.98Å; E537-F543 HydrophobicContact CB-CG 4.49Å; E537-F543 VanDerWaalsContact OE2-CD1 3.31Å; E537-F543 WeakPolarHBondContact OE2-CD1 3.44Å; F543-E545 HydrophobicContact CD2-CG 4.19Å; F543-E545 HydrophobicContact CE2-CG 3.97Å; F543-K564 WeakPolarHBondContact CE2-O 3.36Å; F543-N565 WeakPolarHBondContact CD1-OD1 3.47Å; F543-N565 HydrophobicContact CE1-CB 4.43Å; F543-N565 WeakPolarHBondContact CE1-OD1 3.32Å; F543-N565 HydrophobicContact CE2-CB 4.24Å; F543-N565 HydrophobicContact CZ-CB 4.19Å; F543-T566 WeakPolarHBondContact CB-O 3.43Å; F543-R597 PolarHBondContact O-NE 3.43Å
544D93.9Very high87Confident0 Ų042.1 Ų42.10%024%0.236CC..PPolyproline II helixtrans-82.7152.6165-66.5-56000113.4F534 Y535 T566 R598F534-D544 HydrophobicContact CB-CB 4.49Å; F534-D544 HydrophobicContact CD1-CB 3.88Å; Y535-D544 WeakPolarHBondContact CA-OD2 3.38Å; Y535-D544 WeakPolarHBondContact CB-OD2 3.49Å; Y535-D544 PolarHBondContact N-OD2 3.27Å; Y535-D544 PolarHBondContact O-N 3.5Å; D544-T566 PolarHBondContact O-OG1 3.5Å; D544-R598 IonicContact OD1-CZ 3.1Å; D544-R598 IonicContact OD1-NE 3.08Å; D544-R598 PolarHBondContact OD1-NE 3.35Å; D544-R598 IonicContact OD1-NH2 3.39Å; D544-R598 IonicContact OD2-CZ 3.95Å; D544-R598 IonicContact OD2-NE 2.73Å; D544-R598 PolarHBondContact OD2-NE 2.93Å; D544-R598 IonicContact OD2-NH2 2.89Å; D544-R598 PolarHBondContact OD2-NH2 2.93Å
545E89.3Confident85.2Confident61 Ų6145 Ų4529%0.28526%0.257SS..  trans-115.9167.5170.1-66.2169.8-146.200108.5F543 D594 R597F543-E545 HydrophobicContact CD2-CG 4.19Å; F543-E545 HydrophobicContact CE2-CG 3.97Å; E545-D594 WeakPolarHBondContact O-CB 3.44Å; E545-D594 PolarHBondContact O-N 3.45Å; E545-R597 IonicContact OE1-CZ 3.68Å; E545-R597 IonicContact OE1-NE 2.66Å; E545-R597 PolarHBondContact OE1-NE 3.23Å; E545-R597 IonicContact OE1-NH1 3.43Å; E545-R597 PolarHBondContact OE1-NH1 3.1Å; E545-R597 VanDerWaalsContact OE1-NH1 3.1Å; E545-R597 IonicContact OE1-NH2 3.13Å
546G90.1Very high83.1Confident11 Ų1154.9 Ų54.911%0.11330%0.303CS..EExtended strand (participates in β ladder)trans156.9-150.6-178.800000111.7V563 H592G546-V563 PolarHBondContact N-O 2.91Å; G546-V563 PolarHBondContact O-N 3.18Å; G546-H592 CarbonylContact C-O 3.59Å; G546-H592 VanDerWaalsContact CA-O 3.27Å; G546-H592 WeakPolarHBondContact CA-O 3.25Å
547Y89.6Confident81.3Confident90 Ų9060.2 Ų60.235%0.35333%0.331SS..EExtended strand (participates in β ladder)trans-149.6162.3179.461.7-85.4000112.3L549 F561 H592Y547-L549 HydrophobicContact CD2-CD1 4.34Å; Y547-L549 HydrophobicContact CD2-CD2 3.96Å; Y547-L549 HydrophobicContact CD2-CG 3.81Å; Y547-L549 HydrophobicContact CE2-CD1 3.81Å; Y547-L549 HydrophobicContact CE2-CD2 4.21Å; Y547-L549 HydrophobicContact CE2-CG 3.79Å; Y547-F561 CarbonylContact C-O 3.53Å; Y547-F561 WeakPolarHBondContact CA-O 3.22Å; Y547-H592 HydrophobicContact CD1-CB 4.03Å; Y547-H592 HydrophobicContact CD2-CB 3.93Å; Y547-H592 AromaticContact CD2-CD2 3.94Å; Y547-H592 HydrophobicContact CE1-CB 3.64Å; Y547-H592 HydrophobicContact CE2-CB 3.52Å; Y547-H592 AromaticContact CE2-CD2 3.37Å; Y547-H592 WeakPolarHBondContact CE2-CD2 3.29Å; Y547-H592 AromaticContact CE2-CG 3.48Å; Y547-H592 VanDerWaalsContact CE2-CG 3.48Å; Y547-H592 HydrophobicContact CG-CB 4.16Å; Y547-H592 AromaticContact CZ-CD2 3.97Å; Y547-H592 AromaticContact CZ-CG 3.59Å; Y547-H592 PolarHBondContact N-O 3.31Å; Y547-H592 PolarHBondContact O-N 3.01Å
548M93.6Very high80.5Confident2 Ų262.3 Ų62.31%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-122.5137.8175.3-39.6-174.5173.300109.5V527 L529 E560 F561 V563 H575 V589 T590 L591V527-M548 HydrophobicContact CG1-SD 4.44Å; L529-M548 HydrophobicContact CD1-CE 3.82Å; L529-M548 HydrophobicContact CD1-SD 4.09Å; M548-E560 WeakPolarHBondContact O-CA 3.33Å; M548-F561 HydrophobicContact CB-CB 4.22Å; M548-F561 HydrophobicContact CE-CD1 4.18Å; M548-F561 HydrophobicContact CE-CE1 4.4Å; M548-F561 HydrophobicContact CG-CB 4.39Å; M548-F561 HydrophobicContact CG-CD1 4.06Å; M548-F561 PolarHBondContact N-O 3.3Å; M548-F561 PolarHBondContact O-N 3.25Å; M548-F561 HydrophobicContact SD-CD1 3.91Å; M548-V563 HydrophobicContact CE-CG2 3.63Å; M548-V563 HydrophobicContact CG-CG2 4Å; M548-H575 HydrophobicContact CE-CB 3.46Å; M548-H575 VanDerWaalsContact CE-CB 3.46Å; M548-H575 VanDerWaalsContact CE-CD2 3.42Å; M548-H575 WeakPolarHBondContact CE-CD2 3.33Å; M548-V589 HydrophobicContact CB-CB 4.18Å; M548-V589 HydrophobicContact CB-CG2 4.37Å; M548-V589 HydrophobicContact SD-CG2 4.25Å; M548-T590 CarbonylContact C-O 3.56Å; M548-T590 VanDerWaalsContact CA-O 3.32Å; M548-T590 WeakPolarHBondContact CA-O 3.29Å; M548-L591 HydrophobicContact CB-CD2 4.35Å; M548-L591 HydrophobicContact CE-CD2 3.71Å; M548-L591 HydrophobicContact CG-CD2 3.71Å; M548-L591 HydrophobicContact SD-CD2 3.69Å
549L88.8Confident80.4Confident27 Ų2759.2 Ų59.214%0.14132%0.321CS..EExtended strand (participates in β ladder)trans-119.2137.2177.8-62.8-178.8000110.6Y547 E560 V589 T590Y547-L549 HydrophobicContact CD2-CD1 4.34Å; Y547-L549 HydrophobicContact CD2-CD2 3.96Å; Y547-L549 HydrophobicContact CD2-CG 3.81Å; Y547-L549 HydrophobicContact CE2-CD1 3.81Å; Y547-L549 HydrophobicContact CE2-CD2 4.21Å; Y547-L549 HydrophobicContact CE2-CG 3.79Å; L549-E560 HydrophobicContact CD2-CB 3.96Å; L549-E560 HydrophobicContact CD2-CG 3.89Å; L549-V589 CarbonylContact O-C 3.6Å; L549-V589 WeakPolarHBondContact O-CA 3.36Å; L549-T590 PolarHBondContact N-O 3.2Å; L549-T590 PolarHBondContact O-N 3.03Å
550R88.8Confident80.6Confident65 Ų6560 Ų6025%0.24531%0.31CS..EExtended strand (participates in β ladder)trans-68.6132.1173.3-175.3163.359.8-171.72.2111.2D553 M559 T582 D587 R588R550-D553 HydrophobicContact CB-CB 4.2Å; R550-D553 HydrophobicContact CG-CB 4.34Å; R550-D553 IonicContact CZ-OD2 3.12Å; R550-D553 IonicContact NE-OD2 3.2Å; R550-D553 PolarHBondContact NE-OD2 2.88Å; R550-D553 IonicContact NH2-OD2 3.99Å; R550-D553 PolarHBondContact NH2-OD2 2.64Å; R550-M559 HydrophobicContact CB-CB 4.28Å; R550-M559 HydrophobicContact CB-CE 3.71Å; R550-M559 PolarHBondContact N-O 2.77Å; R550-T582 PolarHBondContact NH1-O 2.75Å; R550-D587 IonicContact NH1-OD2 2.82Å; R550-R588 WeakPolarHBondContact CA-O 3.28Å
551E83.2Confident80.8Confident69 Ų6958.8 Ų58.832%0.32230%0.297SS..THydrogen-bonded Turntrans-65.2-42.1-175.7-71.4-169.6144.100113.1S503 D553 R588 T590S503-E551 WeakPolarHBondContact CB-OE1 3.47Å; S503-E551 PolarHBondContact OG-OE1 3.16Å; E551-D553 PolarHBondContact O-N 2.67Å; E551-R588 HydrophobicContact CB-CB 4.48Å; E551-R588 HydrophobicContact CG-CB 4.42Å; E551-R588 PolarHBondContact N-O 2.84Å; E551-R588 IonicContact OE2-CZ 3.88Å; E551-R588 IonicContact OE2-NE 2.98Å; E551-R588 PolarHBondContact OE2-NE 2.81Å; E551-R588 IonicContact OE2-NH2 2.75Å; E551-R588 PolarHBondContact OE2-NH2 2.95Å; E551-T590 WeakPolarHBondContact CG-OG1 3.42Å
552D70.3Confident80.5Confident138 Ų13861.4 Ų61.474%0.73831%0.313SS*.THydrogen-bonded Turntrans-95.716.8-169.2-65.7-38.6000114.5S554D552-S554 PolarHBondContact O-N 3.43Å
553D64.5Low80.5Confident14 Ų1460.8 Ų60.88%0.07531%0.309CS..  trans-97.696.1-174.9-157.5-11.5000112.5R550 E551 S555 R558 M559R550-D553 HydrophobicContact CB-CB 4.2Å; R550-D553 HydrophobicContact CG-CB 4.34Å; R550-D553 IonicContact CZ-OD2 3.12Å; R550-D553 IonicContact NE-OD2 3.2Å; R550-D553 PolarHBondContact NE-OD2 2.88Å; R550-D553 IonicContact NH2-OD2 3.99Å; R550-D553 PolarHBondContact NH2-OD2 2.64Å; E551-D553 PolarHBondContact O-N 2.67Å; D553-S555 WeakPolarHBondContact OD1-CB 3.16Å; D553-S555 PolarHBondContact OD1-N 2.88Å; D553-S555 PolarHBondContact OD1-OG 3.36Å; D553-R558 HydrophobicContact CB-CG 4.18Å; D553-R558 PolarHBondContact O-NE 3Å; D553-R558 WeakPolarHBondContact OD2-CA 3.32Å; D553-M559 PolarHBondContact OD2-N 3.04Å
554S57.8Low80.1Confident125 Ų12564.1 Ų64.187%0.87432%0.323SS*.  trans-92.26.8175.7470000113.4D552D552-S554 PolarHBondContact O-N 3.43Å
555S59Low80Confident61 Ų6165.4 Ų65.443%0.42733%0.33SS..SBendtrans-78.7157.5175.775.40000112.2D553 D557D553-S555 WeakPolarHBondContact OD1-CB 3.16Å; D553-S555 PolarHBondContact OD1-N 2.88Å; D553-S555 PolarHBondContact OD1-OG 3.36Å; S555-D557 PolarHBondContact O-N 3.4Å; S555-D557 PolarHBondContact OG-O 3.36Å
556E52.2Low80.3Confident208 Ų20862.5 Ų62.597%0.97232%0.317SS*.SBendtrans-64.9-17.1174.4-71.1-176.3166.200112.5
557D58.7Low80.4Confident113 Ų11363.2 Ų63.260%0.60432%0.317SS*.SBendtrans-107.360177.7-82.2-36.7000111.4S555 M559S555-D557 PolarHBondContact O-N 3.4Å; S555-D557 PolarHBondContact OG-O 3.36Å; D557-M559 PolarHBondContact O-N 3.17Å
558R73Confident80.3Confident125 Ų12560.8 Ų60.847%0.47231%0.312SS..  trans-58.2130.4179.2180175.9-65.1-179.30.6111.4D553 E560D553-R558 HydrophobicContact CB-CG 4.18Å; D553-R558 PolarHBondContact O-NE 3Å; D553-R558 WeakPolarHBondContact OD2-CA 3.32Å; R558-E560 PolarHBondContact O-N 3.19Å
559M86.6Confident79.8Confident1 Ų167.6 Ų67.61%0.00534%0.337CS..  trans-63.6124.4172-170.1-73-5700110.9R550 D553 D557 F561 V579 Y580 T582 L583 V589R550-M559 HydrophobicContact CB-CB 4.28Å; R550-M559 HydrophobicContact CB-CE 3.71Å; R550-M559 PolarHBondContact N-O 2.77Å; D553-M559 PolarHBondContact OD2-N 3.04Å; D557-M559 PolarHBondContact O-N 3.17Å; M559-F561 HydrophobicContact SD-CB 4.46Å; M559-V579 HydrophobicContact CG-CG2 4.28Å; M559-V579 HydrophobicContact SD-CG2 4.03Å; M559-Y580 CarbonylContact C-O 3.52Å; M559-Y580 VanDerWaalsContact CA-O 3.31Å; M559-Y580 WeakPolarHBondContact CA-O 3.49Å; M559-T582 WeakPolarHBondContact CG-O 3.39Å; M559-L583 HydrophobicContact CE-CD1 3.45Å; M559-L583 VanDerWaalsContact CE-CD1 3.45Å; M559-L583 HydrophobicContact CG-CB 4.45Å; M559-L583 HydrophobicContact SD-CB 4.03Å; M559-L583 HydrophobicContact SD-CD1 3.91Å; M559-L583 HydrophobicContact SD-CG 4.48Å; M559-V589 HydrophobicContact CE-CG1 3.96Å
560E86.1Confident79.2Confident73 Ų7368.1 Ų68.134%0.34135%0.349SS..EExtended strand (participates in β ladder)trans-125.6135.5174.2-177.3-179.5121.500109.9M548 L549 R558 T562 Y580M548-E560 WeakPolarHBondContact O-CA 3.33Å; L549-E560 HydrophobicContact CD2-CB 3.96Å; L549-E560 HydrophobicContact CD2-CG 3.89Å; R558-E560 PolarHBondContact O-N 3.19Å; E560-T562 PolarHBondContact OE1-OG1 3.08Å; E560-Y580 PolarHBondContact N-O 3.47Å; E560-Y580 PolarHBondContact O-N 3.22Å
561F91.3Very high79Confident1 Ų166.7 Ų66.70%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-114.3112.3169.3-179.1-103.9000109.6C525 V527 Y547 M548 M559 V563 H575 G577 V579 L583C525-F561 VanDerWaalsContact SG-CE2 3.56Å; V527-F561 HydrophobicContact CB-CE1 4.22Å; V527-F561 HydrophobicContact CB-CZ 4.39Å; V527-F561 HydrophobicContact CG2-CD1 4.01Å; V527-F561 HydrophobicContact CG2-CD2 4.14Å; V527-F561 HydrophobicContact CG2-CE1 3.58Å; V527-F561 HydrophobicContact CG2-CE2 3.74Å; V527-F561 HydrophobicContact CG2-CG 4.25Å; V527-F561 HydrophobicContact CG2-CZ 3.43Å; V527-F561 VanDerWaalsContact CG2-CZ 3.43Å; Y547-F561 CarbonylContact C-O 3.53Å; Y547-F561 WeakPolarHBondContact CA-O 3.22Å; M548-F561 HydrophobicContact CB-CB 4.22Å; M548-F561 HydrophobicContact CE-CD1 4.18Å; M548-F561 HydrophobicContact CE-CE1 4.4Å; M548-F561 HydrophobicContact CG-CB 4.39Å; M548-F561 HydrophobicContact CG-CD1 4.06Å; M548-F561 PolarHBondContact N-O 3.3Å; M548-F561 PolarHBondContact O-N 3.25Å; M548-F561 HydrophobicContact SD-CD1 3.91Å; M559-F561 HydrophobicContact SD-CB 4.46Å; F561-V563 HydrophobicContact CD1-CG2 3.81Å; F561-V563 HydrophobicContact CE1-CG2 3.9Å; F561-V563 PolarHBondContact O-N 3.3Å; F561-H575 HydrophobicContact CE1-CB 4.21Å; F561-G577 WeakPolarHBondContact CE2-O 3.33Å; F561-G577 VanDerWaalsContact CZ-N 3.35Å; F561-V579 HydrophobicContact CD2-CB 4.07Å; F561-L583 HydrophobicContact CD2-CD2 4.31Å; F561-L583 HydrophobicContact CG-CD2 4.47Å
562T87.2Confident79.4Confident55 Ų5563.9 Ų63.934%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-82.9115.2177.1-48.20000109.7E560 G577 T578E560-T562 PolarHBondContact OE1-OG1 3.08Å; T562-G577 CarbonylContact O-C 3.51Å; T562-G577 WeakPolarHBondContact O-CA 3.45Å; T562-T578 PolarHBondContact N-O 3.27Å; T562-T578 PolarHBondContact O-N 2.95Å
563V92.4Very high80.7Confident2 Ų257.3 Ų57.31%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-85118.8178.5-173.30000109.5F534 G546 M548 F561 H575F534-V563 HydrophobicContact CD1-CB 4.48Å; F534-V563 HydrophobicContact CD1-CG1 4.11Å; F534-V563 HydrophobicContact CE1-CB 3.79Å; F534-V563 HydrophobicContact CE1-CG1 3.92Å; F534-V563 HydrophobicContact CE1-CG2 3.9Å; F534-V563 HydrophobicContact CZ-CB 4.28Å; F534-V563 HydrophobicContact CZ-CG2 3.92Å; G546-V563 PolarHBondContact N-O 2.91Å; G546-V563 PolarHBondContact O-N 3.18Å; M548-V563 HydrophobicContact CE-CG2 3.63Å; M548-V563 HydrophobicContact CG-CG2 4Å; F561-V563 HydrophobicContact CD1-CG2 3.81Å; F561-V563 HydrophobicContact CE1-CG2 3.9Å; F561-V563 PolarHBondContact O-N 3.3Å; V563-H575 HydrophobicContact CG1-CB 4.12Å; V563-H575 HydrophobicContact CG2-CB 4.35Å
564K86.6Confident82.2Confident106 Ų10656.9 Ų56.946%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-104.8-21.2179.3-66.3175.5178.7162.50113.1F543 I576 T578F543-K564 WeakPolarHBondContact CE2-O 3.36Å; K564-I576 PolarHBondContact N-O 2.99Å; K564-T578 PolarHBondContact NZ-OG1 2.82Å
565N90.4Very high84.1Confident26 Ų2650.9 Ų50.914%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-154143179.8-169.1-21.3000109.6F543 Q567 I576F543-N565 WeakPolarHBondContact CD1-OD1 3.47Å; F543-N565 HydrophobicContact CE1-CB 4.43Å; F543-N565 WeakPolarHBondContact CE1-OD1 3.32Å; F543-N565 HydrophobicContact CE2-CB 4.24Å; F543-N565 HydrophobicContact CZ-CB 4.19Å; N565-Q567 WeakPolarHBondContact OD1-CG 3.47Å; N565-Q567 PolarHBondContact OD1-NE2 2.85Å; N565-I576 HydrophobicContact CB-CB 4.23Å; N565-I576 PolarHBondContact N-O 3.49Å; N565-I576 VanDerWaalsContact N-O 3.12Å; N565-I576 PolarHBondContact O-N 3.12Å
566T95.6Very high85.8Confident0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-129120.8177.1-51.40000109.5F534 A536 E537 F543 D544 V573 L574F534-T566 HydrophobicContact CB-CG2 3.98Å; A536-T566 WeakPolarHBondContact CA-O 3.2Å; A536-T566 HydrophobicContact CB-CG2 4.06Å; E537-T566 PolarHBondContact N-O 3.12Å; F543-T566 WeakPolarHBondContact CB-O 3.43Å; D544-T566 PolarHBondContact O-OG1 3.5Å; T566-V573 HydrophobicContact CG2-CG1 3.46Å; T566-V573 VanDerWaalsContact CG2-CG1 3.46Å; T566-L574 WeakPolarHBondContact CA-O 3.32Å
567Q92Very high87.6Confident27 Ų2738.7 Ų38.713%0.12620%0.199CC..EExtended strand (participates in β ladder)trans-128.9152.8-174.3-64.3-67-3900110.9M464 E537 N565 V573 L574M464-Q567 HydrophobicContact CE-CG 4.15Å; M464-Q567 HydrophobicContact SD-CG 4.36Å; E537-Q567 PolarHBondContact OE2-NE2 3.08Å; N565-Q567 WeakPolarHBondContact OD1-CG 3.47Å; N565-Q567 PolarHBondContact OD1-NE2 2.85Å; Q567-V573 CarbonylContact O-C 3.59Å; Q567-V573 WeakPolarHBondContact O-CA 3.46Å; Q567-L574 PolarHBondContact N-O 2.65Å; Q567-L574 PolarHBondContact O-N 3.15Å
568V88.7Confident88.9Confident39 Ų3934.9 Ų34.924%0.23618%0.18CC..EExtended strand (participates in β ladder)trans-119.8129.8177.2610000111.1A536 Y572 V573A536-V568 HydrophobicContact CB-CB 3.71Å; A536-V568 HydrophobicContact CB-CG1 3.91Å; V568-Y572 WeakPolarHBondContact CA-O 3.48Å; V568-V573 HydrophobicContact CB-CG2 4.45Å; V568-V573 HydrophobicContact CG2-CG2 4.3Å
569R81.9Confident89.7Confident144 Ų14429.1 Ų29.154%0.54316%0.158SC..EExtended strand (participates in β ladder)trans-143.6126.3176.6-67.9-67.3-177.6-165.6-2.6110.2L465 I470 G571 Y572L465-R569 HydrophobicContact CB-CB 4.17Å; I470-R569 HydrophobicContact CD1-CB 4.12Å; R569-G571 PolarHBondContact O-N 3.16Å; R569-G571 VanDerWaalsContact O-N 3.14Å; R569-Y572 PolarHBondContact N-O 2.86Å; R569-Y572 PolarHBondContact O-N 2.83Å
570G76.9Confident89.5Confident38 Ų3835.2 Ų35.239%0.39218%0.182SC..THydrogen-bonded Turntrans59.824.2176.100000115.3
571G84.1Confident89.5Confident36 Ų3632.5 Ų32.537%0.37117%0.173SC..THydrogen-bonded Turntrans89.6-2.2-175.400000115.3A480 T481 R569A480-G571 WeakPolarHBondContact CB-O 3.31Å; T481-G571 PolarHBondContact N-O 3.48Å; T481-G571 VanDerWaalsContact N-O 3.1Å; R569-G571 PolarHBondContact O-N 3.16Å; R569-G571 VanDerWaalsContact O-N 3.14Å
572Y92.9Very high89.4Confident9 Ų934.8 Ų34.84%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-99130.7177.5-60.5-81.6000110.6I470 L473 R474 V478 P479 L528 V568 R569I470-Y572 HydrophobicContact CG2-CD2 4.47Å; I470-Y572 HydrophobicContact CG2-CE2 4.12Å; L473-Y572 HydrophobicContact CB-CE1 4.24Å; L473-Y572 HydrophobicContact CB-CE2 4.32Å; L473-Y572 HydrophobicContact CD1-CD1 4.24Å; L473-Y572 HydrophobicContact CD1-CD2 4.22Å; L473-Y572 HydrophobicContact CD1-CE1 4.32Å; L473-Y572 HydrophobicContact CD1-CE2 4.32Å; L473-Y572 HydrophobicContact CD1-CG 4.18Å; R474-Y572 WeakPolarHBondContact CG-OH 3.46Å; V478-Y572 HydrophobicContact CB-CE1 4.4Å; V478-Y572 HydrophobicContact CG1-CE1 4.1Å; V478-Y572 WeakPolarHBondContact O-CE1 3.47Å; V478-Y572 PolarHBondContact O-OH 3.35Å; P479-Y572 VanDerWaalsContact O-CE1 3.23Å; P479-Y572 WeakPolarHBondContact O-CE1 3.5Å; L528-Y572 HydrophobicContact CD1-CD1 4.36Å; V568-Y572 WeakPolarHBondContact CA-O 3.48Å; R569-Y572 PolarHBondContact N-O 2.86Å; R569-Y572 PolarHBondContact O-N 2.83Å
573V96.1Very high89.6Confident1 Ų132.2 Ų32.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-95.4110174.9-179.20000109.6T481 D483 L528 T532 A536 T566 Q567 V568 H575T481-V573 HydrophobicContact CG2-CB 3.97Å; T481-V573 HydrophobicContact CG2-CG2 4.16Å; T481-V573 PolarHBondContact OG1-N 2.91Å; D483-V573 HydrophobicContact CB-CG2 4.2Å; L528-V573 VanDerWaalsContact CD2-O 3.25Å; L528-V573 WeakPolarHBondContact CD2-O 3.32Å; T532-V573 HydrophobicContact CG2-CB 4.08Å; T532-V573 HydrophobicContact CG2-CG1 3.91Å; T532-V573 HydrophobicContact CG2-CG2 4.3Å; A536-V573 HydrophobicContact CB-CG1 4.12Å; T566-V573 HydrophobicContact CG2-CG1 3.46Å; T566-V573 VanDerWaalsContact CG2-CG1 3.46Å; Q567-V573 CarbonylContact O-C 3.59Å; Q567-V573 WeakPolarHBondContact O-CA 3.46Å; V568-V573 HydrophobicContact CB-CG2 4.45Å; V568-V573 HydrophobicContact CG2-CG2 4.3Å; V573-H575 PolarHBondContact O-CE1 2.8Å; V573-H575 PolarHBondContact O-ND1 3.12Å
574L96.5Very high89.8Confident4 Ų436.4 Ų36.42%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-93.3118.6-179.3-169.973.3000111I463 L465 L528 T566 Q567 I576I463-L574 HydrophobicContact CG2-CD2 4.46Å; L465-L574 HydrophobicContact CD1-CB 4.47Å; L465-L574 HydrophobicContact CG-CD1 4.35Å; L465-L574 HydrophobicContact CG-CD2 4.26Å; L528-L574 HydrophobicContact CD2-CB 4.1Å; L528-L574 HydrophobicContact CD2-CD1 3.69Å; L528-L574 HydrophobicContact CG-CD1 4Å; T566-L574 WeakPolarHBondContact CA-O 3.32Å; Q567-L574 PolarHBondContact N-O 2.65Å; Q567-L574 PolarHBondContact O-N 3.15Å; L574-I576 HydrophobicContact CD2-CD1 4.06Å; L574-I576 HydrophobicContact CD2-CG1 3.9Å; L574-I576 HydrophobicContact CG-CG1 4.06Å
575H97.8Very high90.2Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-97.9111.4175.5-4778.6000108.7G526 V527 T532 F534 M548 F561 V563 V573G526-H575 CarbonylContact C-O 3.57Å; G526-H575 WeakPolarHBondContact CA-O 3.44Å; V527-H575 HydrophobicContact CB-CB 4.37Å; V527-H575 PolarHBondContact N-O 2.84Å; V527-H575 PolarHBondContact O-N 3.23Å; V527-H575 PolarHBondContact O-ND1 3Å; T532-H575 WeakPolarHBondContact CB-NE2 3.39Å; T532-H575 PolarHBondContact OG1-NE2 3.16Å; F534-H575 AromaticContact CG-CD2 3.98Å; M548-H575 HydrophobicContact CE-CB 3.46Å; M548-H575 VanDerWaalsContact CE-CB 3.46Å; M548-H575 VanDerWaalsContact CE-CD2 3.42Å; M548-H575 WeakPolarHBondContact CE-CD2 3.33Å; F561-H575 HydrophobicContact CE1-CB 4.21Å; V563-H575 HydrophobicContact CG1-CB 4.12Å; V563-H575 HydrophobicContact CG2-CB 4.35Å; V573-H575 PolarHBondContact O-CE1 2.8Å; V573-H575 PolarHBondContact O-ND1 3.12Å
576I95.4Very high90.4Very high13 Ų1334.6 Ų34.67%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-100.3130-176.4-54.7170.8000108.5I463 M464 C525 K564 N565 L574I463-I576 HydrophobicContact CD1-CG2 4.29Å; I463-I576 HydrophobicContact CG2-CD1 4.5Å; I463-I576 HydrophobicContact CG2-CG1 4.14Å; I463-I576 HydrophobicContact CG2-CG2 4.19Å; M464-I576 HydrophobicContact CE-CD1 3.45Å; M464-I576 VanDerWaalsContact CE-CD1 3.45Å; M464-I576 HydrophobicContact SD-CD1 3.83Å; C525-I576 WeakPolarHBondContact O-CA 3.46Å; K564-I576 PolarHBondContact N-O 2.99Å; N565-I576 HydrophobicContact CB-CB 4.23Å; N565-I576 PolarHBondContact N-O 3.49Å; N565-I576 VanDerWaalsContact N-O 3.12Å; N565-I576 PolarHBondContact O-N 3.12Å; L574-I576 HydrophobicContact CD2-CD1 4.06Å; L574-I576 HydrophobicContact CD2-CG1 3.9Å; L574-I576 HydrophobicContact CG-CG1 4.06Å
577G90.3Very high90.4Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-176.3-175.9-168.300000113.8E524 C525 F561 T562E524-G577 CarbonylContact C-O 3.45Å; E524-G577 VanDerWaalsContact CA-O 3.27Å; E524-G577 WeakPolarHBondContact CA-O 3.46Å; E524-G577 WeakPolarHBondContact CG-O 3.46Å; C525-G577 PolarHBondContact N-O 2.87Å; C525-G577 PolarHBondContact O-N 3.08Å; F561-G577 WeakPolarHBondContact CE2-O 3.33Å; F561-G577 VanDerWaalsContact CZ-N 3.35Å; T562-G577 CarbonylContact O-C 3.51Å; T562-G577 WeakPolarHBondContact O-CA 3.45Å
578T86.2Confident90.6Very high33 Ų3340.7 Ų40.720%0.20222%0.222CC..EExtended strand (participates in β ladder)trans-116.4133.3-178.9-51.10000109.5T562 K564T562-T578 PolarHBondContact N-O 3.27Å; T562-T578 PolarHBondContact O-N 2.95Å; K564-T578 PolarHBondContact NZ-OG1 2.82Å
579V89.5Confident90.9Very high3 Ų338.9 Ų38.92%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-89.3141.6176.867.80000111.5V519 T520 T521 G522 Q523 M559 F561 L583V519-V579 HydrophobicContact CB-CG1 4.32Å; V519-V579 HydrophobicContact CG1-CG1 3.65Å; T520-V579 WeakPolarHBondContact O-CG1 3.44Å; T521-V579 CarbonylContact C-O 3.57Å; T521-V579 WeakPolarHBondContact CA-O 3.3Å; G522-V579 PolarHBondContact N-O 2.73Å; Q523-V579 PolarHBondContact O-N 2.78Å; M559-V579 HydrophobicContact CG-CG2 4.28Å; M559-V579 HydrophobicContact SD-CG2 4.03Å; F561-V579 HydrophobicContact CD2-CB 4.07Å; V579-L583 HydrophobicContact CG2-CB 3.88Å
580Y81.4Confident91.5Very high130 Ų13033.4 Ų33.451%0.5119%0.194SC..EExtended strand (participates in β ladder)trans-118.2117.5162.6-175.1-92.3000107.9T521 M559 E560T521-Y580 HydrophobicContact CG2-CD2 3.9Å; T521-Y580 HydrophobicContact CG2-CE2 4.3Å; M559-Y580 CarbonylContact C-O 3.52Å; M559-Y580 VanDerWaalsContact CA-O 3.31Å; M559-Y580 WeakPolarHBondContact CA-O 3.49Å; E560-Y580 PolarHBondContact N-O 3.47Å; E560-Y580 PolarHBondContact O-N 3.22Å
581G85.6Confident92.3Very high15 Ų1531.8 Ų31.816%0.15518%0.176CC..SBendtrans99.8-156.4-16800000112.2T520 T521T520-G581 CarbonylContact C-O 3.6Å; T520-G581 WeakPolarHBondContact CA-O 3.34Å; T521-G581 PolarHBondContact N-O 3.49Å; T521-G581 WeakPolarHBondContact OG1-CA 3.33Å; T521-G581 PolarHBondContact OG1-N 2.97Å; T521-G581 PolarHBondContact OG1-O 2.92Å
582T89.3Confident92.5Very high50 Ų5033 Ų3331%0.30717%0.172SC..EExtended strand (participates in β ladder)trans-120.4118.3177.9-57.90000110V519 T520 R550 M559 K584V519-T582 WeakPolarHBondContact O-CA 3.42Å; T520-T582 HydrophobicContact CG2-CG2 4.22Å; R550-T582 PolarHBondContact NH1-O 2.75Å; M559-T582 WeakPolarHBondContact CG-O 3.39Å; T582-K584 HydrophobicContact CG2-CG 4.18Å
583L92.9Very high92.6Very high1 Ų133.3 Ų33.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-104.1131.6176.7-178.766000109.6V506 L509 E518 V519 V527 M559 F561 V579 D587 V589V506-L583 HydrophobicContact CG2-CD1 3.91Å; L509-L583 HydrophobicContact CD1-CG 4.29Å; L509-L583 WeakPolarHBondContact CD1-O 3.49Å; L509-L583 HydrophobicContact CD2-CD2 3.62Å; L509-L583 HydrophobicContact CD2-CG 4.03Å; E518-L583 CarbonylContact C-O 3.56Å; E518-L583 VanDerWaalsContact CA-O 3.29Å; E518-L583 WeakPolarHBondContact CA-O 3.45Å; V519-L583 PolarHBondContact N-O 3.37Å; V519-L583 PolarHBondContact O-N 2.94Å; V527-L583 HydrophobicContact CG1-CD2 4.41Å; V527-L583 HydrophobicContact CG2-CD2 3.66Å; M559-L583 HydrophobicContact CE-CD1 3.45Å; M559-L583 VanDerWaalsContact CE-CD1 3.45Å; M559-L583 HydrophobicContact CG-CB 4.45Å; M559-L583 HydrophobicContact SD-CB 4.03Å; M559-L583 HydrophobicContact SD-CD1 3.91Å; M559-L583 HydrophobicContact SD-CG 4.48Å; F561-L583 HydrophobicContact CD2-CD2 4.31Å; F561-L583 HydrophobicContact CG-CD2 4.47Å; V579-L583 HydrophobicContact CG2-CB 3.88Å; L583-D587 HydrophobicContact CD1-CB 4.35Å; L583-V589 HydrophobicContact CD1-CG1 4.3Å
584K94.9Very high92.2Very high90 Ų9036.3 Ų36.339%0.39119%0.19SC..EExtended strand (participates in β ladder)trans-124.9152.9-179.3-58.9-167.6175-158.60112.4Q517 E518 T582 G586 D587Q517-K584 WeakPolarHBondContact O-CA 3.15Å; E518-K584 HydrophobicContact CB-CD 4.48Å; E518-K584 HydrophobicContact CB-CG 3.93Å; E518-K584 WeakPolarHBondContact OE2-CE 3.46Å; E518-K584 IonicContact OE2-NZ 3.08Å; E518-K584 PolarHBondContact OE2-NZ 3.47Å; T582-K584 HydrophobicContact CG2-CG 4.18Å; K584-G586 PolarHBondContact O-N 2.98Å; K584-D587 PolarHBondContact N-OD2 3.49Å; K584-D587 VanDerWaalsContact O-CB 3.32Å; K584-D587 WeakPolarHBondContact O-CB 3.17Å; K584-D587 PolarHBondContact O-N 3.3Å; K584-D587 VanDerWaalsContact O-N 3.14Å
585V96.3Very high91.9Very high45 Ų4540.6 Ų40.627%0.27321%0.21SC..THydrogen-bonded Turntrans-60.2132166.6177.50000109L507 L509 Q517L507-V585 WeakPolarHBondContact O-CG1 3.4Å; L509-V585 HydrophobicContact CB-CG2 4.46Å; L509-V585 HydrophobicContact CD1-CG2 4.2Å; L509-V585 HydrophobicContact CG-CG2 4Å; Q517-V585 PolarHBondContact O-N 3.45Å
586G94.8Very high91.3Very high48 Ų4844.5 Ų44.550%0.49524%0.242SC..THydrogen-bonded Turntrans92.7-9-174.300000115.1V506 K584V506-G586 PolarHBondContact O-N 3Å; K584-G586 PolarHBondContact O-N 2.98Å
587D94.7Very high91Very high31 Ų3146.2 Ų46.217%0.16625%0.248CC..  trans-63.9143.5174.8-78-15.9000110.9T505 V506 R550 L583 K584T505-D587 WeakPolarHBondContact CA-O 3.27Å; V506-D587 HydrophobicContact CG2-CB 4.27Å; V506-D587 PolarHBondContact N-O 2.85Å; R550-D587 IonicContact NH1-OD2 2.82Å; L583-D587 HydrophobicContact CD1-CB 4.35Å; K584-D587 PolarHBondContact N-OD2 3.49Å; K584-D587 VanDerWaalsContact O-CB 3.32Å; K584-D587 WeakPolarHBondContact O-CB 3.17Å; K584-D587 PolarHBondContact O-N 3.3Å; K584-D587 VanDerWaalsContact O-N 3.14Å
588R96.1Very high91.2Very high124 Ų12446.2 Ų46.247%0.46825%0.248SC..EExtended strand (participates in β ladder)trans-94.1128.9170.6-69.3-178.662.9111.75.2110.5A504 R550 E551A504-R588 WeakPolarHBondContact O-CA 3.38Å; R550-R588 WeakPolarHBondContact CA-O 3.28Å; E551-R588 HydrophobicContact CB-CB 4.48Å; E551-R588 HydrophobicContact CG-CB 4.42Å; E551-R588 PolarHBondContact N-O 2.84Å; E551-R588 IonicContact OE2-CZ 3.88Å; E551-R588 IonicContact OE2-NE 2.98Å; E551-R588 PolarHBondContact OE2-NE 2.81Å; E551-R588 IonicContact OE2-NH2 2.75Å; E551-R588 PolarHBondContact OE2-NH2 2.95Å
589V95Very high91.5Very high1 Ų147.1 Ų47.11%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-127.7141.6-177.5-62.40000111.8S503 A504 V506 L529 M548 L549 M559 L583 L591S503-V589 CarbonylContact C-O 3.45Å; S503-V589 WeakPolarHBondContact CA-O 3.36Å; A504-V589 PolarHBondContact N-O 2.89Å; A504-V589 PolarHBondContact O-N 3.45Å; V506-V589 HydrophobicContact CG2-CG1 4.29Å; L529-V589 HydrophobicContact CD2-CG2 4.01Å; M548-V589 HydrophobicContact CB-CB 4.18Å; M548-V589 HydrophobicContact CB-CG2 4.37Å; M548-V589 HydrophobicContact SD-CG2 4.25Å; L549-V589 CarbonylContact O-C 3.6Å; L549-V589 WeakPolarHBondContact O-CA 3.36Å; M559-V589 HydrophobicContact CE-CG1 3.96Å; L583-V589 HydrophobicContact CD1-CG1 4.3Å; V589-L591 HydrophobicContact CG2-CD2 4.48Å
590T94.3Very high91.7Very high29 Ų2949 Ų4918%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-91.4131.8166.3-500000109.3M548 L549 E551M548-T590 CarbonylContact C-O 3.56Å; M548-T590 VanDerWaalsContact CA-O 3.32Å; M548-T590 WeakPolarHBondContact CA-O 3.29Å; L549-T590 PolarHBondContact N-O 3.2Å; L549-T590 PolarHBondContact O-N 3.03Å; E551-T590 WeakPolarHBondContact CG-OG1 3.42Å
591L94.9Very high92.3Very high5 Ų542.8 Ų42.83%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-96.9126.3-175.1-63.8167.9000110.7T502 A504 L529 F534 M548 V589T502-L591 HydrophobicContact CG2-CD1 3.86Å; T502-L591 WeakPolarHBondContact O-CB 3.42Å; T502-L591 PolarHBondContact O-N 3.33Å; A504-L591 HydrophobicContact CB-CD1 3.87Å; A504-L591 HydrophobicContact CB-CG 4.43Å; L529-L591 HydrophobicContact CD1-CD1 4.04Å; L529-L591 HydrophobicContact CD1-CD2 3.54Å; L529-L591 HydrophobicContact CD1-CG 4.33Å; F534-L591 HydrophobicContact CD2-CB 4.41Å; F534-L591 HydrophobicContact CD2-CD2 4.17Å; F534-L591 HydrophobicContact CE2-CB 3.96Å; F534-L591 HydrophobicContact CE2-CD2 3.85Å; F534-L591 HydrophobicContact CE2-CG 4.46Å; M548-L591 HydrophobicContact CB-CD2 4.35Å; M548-L591 HydrophobicContact CE-CD2 3.71Å; M548-L591 HydrophobicContact CG-CD2 3.71Å; M548-L591 HydrophobicContact SD-CD2 3.69Å; V589-L591 HydrophobicContact CG2-CD2 4.48Å
592H88.1Confident92.9Very high60 Ų6042.1 Ų42.128%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-124105.1177.5-62.9-84000109.6F534 G546 Y547F534-H592 WeakPolarHBondContact CZ-O 3.48Å; G546-H592 CarbonylContact C-O 3.59Å; G546-H592 VanDerWaalsContact CA-O 3.27Å; G546-H592 WeakPolarHBondContact CA-O 3.25Å; Y547-H592 HydrophobicContact CD1-CB 4.03Å; Y547-H592 HydrophobicContact CD2-CB 3.93Å; Y547-H592 AromaticContact CD2-CD2 3.94Å; Y547-H592 HydrophobicContact CE1-CB 3.64Å; Y547-H592 HydrophobicContact CE2-CB 3.52Å; Y547-H592 AromaticContact CE2-CD2 3.37Å; Y547-H592 WeakPolarHBondContact CE2-CD2 3.29Å; Y547-H592 AromaticContact CE2-CG 3.48Å; Y547-H592 VanDerWaalsContact CE2-CG 3.48Å; Y547-H592 HydrophobicContact CG-CB 4.16Å; Y547-H592 AromaticContact CZ-CD2 3.97Å; Y547-H592 AromaticContact CZ-CG 3.59Å; Y547-H592 PolarHBondContact N-O 3.31Å; Y547-H592 PolarHBondContact O-N 3.01Å
593I93.9Very high93.3Very high16 Ų1640 Ų408%0.08222%0.216CC..EExtended strand (participates in β ladder)trans-75150.8173.158.8171.3000110.4F499 F534 E595 R598F499-I593 HydrophobicContact CB-CD1 4.28Å; F499-I593 HydrophobicContact CD1-CD1 3.75Å; F499-I593 HydrophobicContact CD2-CD1 4.49Å; F499-I593 HydrophobicContact CE1-CD1 4.21Å; F499-I593 HydrophobicContact CG-CD1 3.91Å; F534-I593 HydrophobicContact CD1-CG2 4.03Å; F534-I593 HydrophobicContact CD2-CG2 3.82Å; F534-I593 HydrophobicContact CE1-CG2 4.12Å; F534-I593 HydrophobicContact CE2-CG2 3.9Å; F534-I593 HydrophobicContact CG-CG2 3.87Å; F534-I593 HydrophobicContact CZ-CG2 4.05Å; I593-E595 HydrophobicContact CG1-CG 4.23Å; I593-E595 PolarHBondContact O-N 3.42Å; I593-R598 HydrophobicContact CD1-CB 4.33Å; I593-R598 HydrophobicContact CD1-CG 4.1Å
594D88.4Confident93.5Very high64 Ų6440 Ų4034%0.34222%0.216SC..  trans-71.292.6167.3-177.9-10.6000109.3E545 A596 R597 R598E545-D594 WeakPolarHBondContact O-CB 3.44Å; E545-D594 PolarHBondContact O-N 3.45Å; D594-A596 PolarHBondContact O-N 3.38Å; D594-A596 WeakPolarHBondContact OD1-CB 3.29Å; D594-A596 PolarHBondContact OD1-N 2.89Å; D594-R597 HydrophobicContact CB-CB 3.92Å; D594-R597 VanDerWaalsContact CG-CB 3.48Å; D594-R597 WeakPolarHBondContact O-CB 3.02Å; D594-R597 PolarHBondContact O-N 2.75Å; D594-R597 VanDerWaalsContact O-N 3.14Å; D594-R597 PolarHBondContact OD1-N 3.26Å; D594-R597 WeakPolarHBondContact OD2-CB 2.89Å; D594-R598 WeakPolarHBondContact O-CB 3.42Å; D594-R598 PolarHBondContact O-N 2.89Å
595E89.8Confident93.6Very high94 Ų9436 Ų3644%0.43920%0.199SC..Hα-helixtrans-61.3-33.7179.9-60.1-175.1177.800112.6F499 I593 R597 R598 R599F499-E595 HydrophobicContact CD2-CB 4.17Å; F499-E595 VanDerWaalsContact CD2-CD 3.5Å; F499-E595 HydrophobicContact CD2-CG 3.57Å; F499-E595 HydrophobicContact CE2-CB 4.06Å; F499-E595 HydrophobicContact CE2-CG 3.97Å; F499-E595 HydrophobicContact CG-CG 4.39Å; I593-E595 HydrophobicContact CG1-CG 4.23Å; I593-E595 PolarHBondContact O-N 3.42Å; E595-R597 PolarHBondContact O-N 3.01Å; E595-R598 PolarHBondContact O-N 2.77Å; E595-R599 WeakPolarHBondContact O-CB 3.43Å; E595-R599 PolarHBondContact O-N 3.17Å
596A85.4Confident93.7Very high82 Ų8234 Ų3468%0.67819%0.186SC*.Hα-helixtrans-68-28.1178.800000111.6D594 P600D594-A596 PolarHBondContact O-N 3.38Å; D594-A596 WeakPolarHBondContact OD1-CB 3.29Å; D594-A596 PolarHBondContact OD1-N 2.89Å; A596-P600 WeakPolarHBondContact O-CD 3.39Å; A596-P600 WeakPolarHBondContact O-CG 3.48Å
597R89.6Confident93.9Very high49 Ų4931.7 Ų31.719%0.18516%0.162CC..Hα-helixtrans-81.1-47.7169.6-176.5-171.4174.678.93.4112.5F543 E545 D594 E595 R599 P600 I601 P631F543-R597 PolarHBondContact O-NE 3.43Å; E545-R597 IonicContact OE1-CZ 3.68Å; E545-R597 IonicContact OE1-NE 2.66Å; E545-R597 PolarHBondContact OE1-NE 3.23Å; E545-R597 IonicContact OE1-NH1 3.43Å; E545-R597 PolarHBondContact OE1-NH1 3.1Å; E545-R597 VanDerWaalsContact OE1-NH1 3.1Å; E545-R597 IonicContact OE1-NH2 3.13Å; D594-R597 HydrophobicContact CB-CB 3.92Å; D594-R597 VanDerWaalsContact CG-CB 3.48Å; D594-R597 WeakPolarHBondContact O-CB 3.02Å; D594-R597 PolarHBondContact O-N 2.75Å; D594-R597 VanDerWaalsContact O-N 3.14Å; D594-R597 PolarHBondContact OD1-N 3.26Å; D594-R597 WeakPolarHBondContact OD2-CB 2.89Å; E595-R597 PolarHBondContact O-N 3.01Å; R597-R599 VanDerWaalsContact C-N 3.33Å; R597-R599 PolarHBondContact O-N 3.33Å; R597-P600 WeakPolarHBondContact O-CD 3.33Å; R597-I601 HydrophobicContact CG-CD1 3.96Å; R597-I601 WeakPolarHBondContact O-CG1 3.46Å; R597-I601 PolarHBondContact O-N 2.87Å; R597-P631 HydrophobicContact CG-CB 4.44Å; R597-P631 HydrophobicContact CG-CG 3.68Å
598R93.5Very high94Very high1 Ų130.4 Ų30.40%0.00416%0.156CC..Hα-helixtrans-59.9-41.7-176.4170.365.281.373.42.5112F499 S533 D544 I593 D594 E595 I601 M602F499-R598 HydrophobicContact CE1-CG 3.73Å; F499-R598 HydrophobicContact CZ-CB 4.48Å; F499-R598 HydrophobicContact CZ-CG 3.68Å; S533-R598 PolarHBondContact O-NH2 2.82Å; D544-R598 IonicContact OD1-CZ 3.1Å; D544-R598 IonicContact OD1-NE 3.08Å; D544-R598 PolarHBondContact OD1-NE 3.35Å; D544-R598 IonicContact OD1-NH2 3.39Å; D544-R598 IonicContact OD2-CZ 3.95Å; D544-R598 IonicContact OD2-NE 2.73Å; D544-R598 PolarHBondContact OD2-NE 2.93Å; D544-R598 IonicContact OD2-NH2 2.89Å; D544-R598 PolarHBondContact OD2-NH2 2.93Å; I593-R598 HydrophobicContact CD1-CB 4.33Å; I593-R598 HydrophobicContact CD1-CG 4.1Å; D594-R598 WeakPolarHBondContact O-CB 3.42Å; D594-R598 PolarHBondContact O-N 2.89Å; E595-R598 PolarHBondContact O-N 2.77Å; R598-I601 WeakPolarHBondContact O-CB 3.45Å; R598-I601 PolarHBondContact O-N 3.09Å; R598-M602 HydrophobicContact CG-CG 4.35Å; R598-M602 HydrophobicContact CG-SD 3.76Å; R598-M602 WeakPolarHBondContact O-CG 3.47Å; R598-M602 PolarHBondContact O-N 2.89Å
599R93.6Very high94Very high51 Ų5125 Ų2519%0.19214%0.136CC..Hα-helixtrans-64.7-46-172.6176.267.6-175.279.80.8113.5G495 Y497 E595 R597 M602 S603 H733G495-R599 PolarHBondContact O-NE 3.28Å; G495-R599 PolarHBondContact O-NH2 2.79Å; G495-R599 VanDerWaalsContact O-NH2 3.16Å; Y497-R599 VanDerWaalsContact CD2-CD 3.48Å; E595-R599 WeakPolarHBondContact O-CB 3.43Å; E595-R599 PolarHBondContact O-N 3.17Å; R597-R599 VanDerWaalsContact C-N 3.33Å; R597-R599 PolarHBondContact O-N 3.33Å; R599-M602 PolarHBondContact O-N 3.42Å; R599-S603 PolarHBondContact NH1-OG 3.39Å; R599-S603 PolarHBondContact O-N 3.12Å; R599-H733 PolarHBondContact NH2-O 3.19Å
600P92.4Very high94.1Very high43 Ų4325 Ų2528%0.27914%0.136SC..Hα-helixtrans-64.6-35.6170.5-25.834.7000114.2A596 R597 M602 S603 N604 P631A596-P600 WeakPolarHBondContact O-CD 3.39Å; A596-P600 WeakPolarHBondContact O-CG 3.48Å; R597-P600 WeakPolarHBondContact O-CD 3.33Å; P600-M602 VanDerWaalsContact C-N 3.34Å; P600-M602 PolarHBondContact O-N 2.85Å; P600-S603 WeakPolarHBondContact O-CB 3.34Å; P600-S603 PolarHBondContact O-N 2.72Å; P600-N604 WeakPolarHBondContact O-CB 3.15Å; P600-N604 PolarHBondContact O-N 2.7Å; P600-N604 PolarHBondContact O-ND2 2.86Å; P600-P631 HydrophobicContact CB-CB 4.35Å; P600-P631 WeakPolarHBondContact CB-O 3.41Å
601I96Very high94.2Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-58.6-48.2174.1-69.1171000109.9Q541 R597 R598 S603 N604 H605 V629 P631Q541-I601 HydrophobicContact CG-CG2 3.59Å; R597-I601 HydrophobicContact CG-CD1 3.96Å; R597-I601 WeakPolarHBondContact O-CG1 3.46Å; R597-I601 PolarHBondContact O-N 2.87Å; R598-I601 WeakPolarHBondContact O-CB 3.45Å; R598-I601 PolarHBondContact O-N 3.09Å; I601-S603 VanDerWaalsContact C-N 3.32Å; I601-S603 PolarHBondContact O-N 3.15Å; I601-N604 PolarHBondContact O-N 3.09Å; I601-H605 WeakPolarHBondContact O-CB 3.47Å; I601-H605 PolarHBondContact O-N 2.87Å; I601-V629 HydrophobicContact CG2-CG1 4.09Å; I601-V629 VanDerWaalsContact O-CG1 3.31Å; I601-V629 WeakPolarHBondContact O-CG1 3.32Å; I601-P631 HydrophobicContact CD1-CG 3.91Å; I601-P631 HydrophobicContact CG1-CB 4.19Å; I601-P631 HydrophobicContact CG1-CG 3.75Å
602M97.4Very high94.3Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-60.1-40.2176.7-67.8166.668.800112.3Y489 Y497 F499 R598 R599 P600 H605 T606 T726 H727 L728Y489-M602 HydrophobicContact CD1-CE 4.49Å; Y489-M602 HydrophobicContact CD2-CE 3.87Å; Y489-M602 HydrophobicContact CE1-CE 4.06Å; Y489-M602 HydrophobicContact CE2-CE 3.37Å; Y489-M602 HydrophobicContact CG-CE 4.4Å; Y489-M602 VanDerWaalsContact CZ-CE 3.49Å; Y497-M602 HydrophobicContact CD1-CE 3.88Å; Y497-M602 HydrophobicContact CE1-CE 3.79Å; F499-M602 HydrophobicContact CE1-SD 3.86Å; F499-M602 HydrophobicContact CZ-SD 3.84Å; R598-M602 HydrophobicContact CG-CG 4.35Å; R598-M602 HydrophobicContact CG-SD 3.76Å; R598-M602 WeakPolarHBondContact O-CG 3.47Å; R598-M602 PolarHBondContact O-N 2.89Å; R599-M602 PolarHBondContact O-N 3.42Å; P600-M602 VanDerWaalsContact C-N 3.34Å; P600-M602 PolarHBondContact O-N 2.85Å; M602-H605 PolarHBondContact O-N 3.48Å; M602-T606 PolarHBondContact O-N 3.27Å; M602-T606 PolarHBondContact O-OG1 3.3Å; M602-T726 WeakPolarHBondContact CG-OG1 3.36Å; M602-H727 WeakPolarHBondContact CE-O 3.28Å; M602-L728 HydrophobicContact CB-CD2 3.93Å; M602-L728 HydrophobicContact CB-CG 4.43Å
603S96.9Very high94.6Very high7 Ų723.7 Ų23.75%0.04913%0.128CC..Hα-helixtrans-59.1-50.1173.7-77.20000111.8R599 P600 I601 H605 A607 T756R599-S603 PolarHBondContact NH1-OG 3.39Å; R599-S603 PolarHBondContact O-N 3.12Å; P600-S603 WeakPolarHBondContact O-CB 3.34Å; P600-S603 PolarHBondContact O-N 2.72Å; I601-S603 VanDerWaalsContact C-N 3.32Å; I601-S603 PolarHBondContact O-N 3.15Å; S603-H605 VanDerWaalsContact C-N 3.29Å; S603-H605 PolarHBondContact O-N 3.18Å; S603-A607 WeakPolarHBondContact O-CB 3.38Å; S603-A607 PolarHBondContact O-N 3.44Å; S603-T756 WeakPolarHBondContact CB-OG1 3.38Å
604N97.7Very high94.7Very high1 Ų123 Ų231%0.00512%0.124CC..Hα-helixtrans-66.1-32.9-179.8-74.6-23.9000111.5P600 I601 T608 V629 A630 P631 R633 L634 T756P600-N604 WeakPolarHBondContact O-CB 3.15Å; P600-N604 PolarHBondContact O-N 2.7Å; P600-N604 PolarHBondContact O-ND2 2.86Å; I601-N604 PolarHBondContact O-N 3.09Å; N604-T608 WeakPolarHBondContact O-CB 3.47Å; N604-T608 PolarHBondContact O-N 2.88Å; N604-T608 PolarHBondContact O-OG1 2.85Å; N604-V629 HydrophobicContact CB-CG1 3.69Å; N604-A630 PolarHBondContact ND2-O 3.13Å; N604-P631 PolarHBondContact ND2-O 3.04Å; N604-R633 PolarHBondContact ND2-N 3.42Å; N604-L634 HydrophobicContact CB-CB 4.15Å; N604-L634 HydrophobicContact CB-CD2 4.26Å; N604-L634 VanDerWaalsContact O-CD2 3.32Å; N604-L634 WeakPolarHBondContact O-CD2 3.32Å; N604-T756 WeakPolarHBondContact OD1-CB 3.44Å; N604-T756 VanDerWaalsContact OD1-CG2 3.28Å; N604-T756 WeakPolarHBondContact OD1-CG2 3.29Å; N604-T756 PolarHBondContact OD1-OG1 3.36Å
605H97.8Very high95Very high6 Ų619.9 Ų19.93%0.02811%0.107CC..Hα-helixtrans-68.5-53.2176.7-154.2154.2000111.1Q541 I601 M602 S603 A607 T608 H609 V629 C723 G725 H727Q541-H605 PolarHBondContact OE1-CE1 2.87Å; Q541-H605 PolarHBondContact OE1-ND1 2.79Å; I601-H605 WeakPolarHBondContact O-CB 3.47Å; I601-H605 PolarHBondContact O-N 2.87Å; M602-H605 PolarHBondContact O-N 3.48Å; S603-H605 VanDerWaalsContact C-N 3.29Å; S603-H605 PolarHBondContact O-N 3.18Å; H605-A607 VanDerWaalsContact C-N 3.25Å; H605-A607 PolarHBondContact O-N 3.04Å; H605-T608 VanDerWaalsContact O-CB 3.3Å; H605-T608 WeakPolarHBondContact O-CB 3.33Å; H605-T608 PolarHBondContact O-N 2.92Å; H605-H609 AromaticContact CD2-CD2 4Å; H605-H609 AromaticContact CD2-NE2 3.54Å; H605-H609 AromaticContact NE2-NE2 3.67Å; H605-H609 PolarHBondContact O-CD2 3.03Å; H605-H609 PolarHBondContact O-N 2.89Å; H605-V629 HydrophobicContact CB-CG1 3.87Å; H605-V629 VanDerWaalsContact N-CG1 3.34Å; H605-C723 PolarHBondContact NE2-SG 3.37Å; H605-G725 VanDerWaalsContact CE1-CA 3.43Å; H605-G725 WeakPolarHBondContact CE1-CA 3.37Å; H605-H727 AromaticContact CD2-CE1 3.42Å; H605-H727 PolarHBondContact CD2-CE1 3.11Å; H605-H727 VanDerWaalsContact CD2-CE1 3.42Å; H605-H727 AromaticContact CE1-CE1 3.9Å; H605-H727 AromaticContact CG-CE1 3.56Å; H605-H727 AromaticContact CG-ND1 3.84Å; H605-H727 AromaticContact ND1-CE1 3.83Å; H605-H727 AromaticContact NE2-CE1 3.65Å
606T97.8Very high95.1Very high1 Ų119.6 Ų19.61%0.00610%0.102CC..Hα-helixtrans-59.2-39.1176.2-61.50000111.2M602 T608 H609 I610 V666 I699 L728M602-T606 PolarHBondContact O-N 3.27Å; M602-T606 PolarHBondContact O-OG1 3.3Å; T606-T608 VanDerWaalsContact C-N 3.3Å; T606-T608 PolarHBondContact O-N 2.94Å; T606-H609 PolarHBondContact O-N 3.3Å; T606-I610 HydrophobicContact CG2-CD1 4.33Å; T606-I610 WeakPolarHBondContact O-CG1 3.44Å; T606-I610 PolarHBondContact O-N 2.92Å; T606-V666 HydrophobicContact CG2-CG2 4.16Å; T606-I699 HydrophobicContact CG2-CD1 4.24Å; T606-L728 HydrophobicContact CG2-CB 4.37Å; T606-L728 HydrophobicContact CG2-CD1 4.32Å; T606-L728 PolarHBondContact OG1-N 3Å
607A97.9Very high95.3Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-67.6-26.5175.400000113.6S603 H605 I610 L611 L634 F737 T756S603-A607 WeakPolarHBondContact O-CB 3.38Å; S603-A607 PolarHBondContact O-N 3.44Å; H605-A607 VanDerWaalsContact C-N 3.25Å; H605-A607 PolarHBondContact O-N 3.04Å; A607-I610 PolarHBondContact O-N 3.42Å; A607-L611 VanDerWaalsContact O-CB 3.31Å; A607-L611 WeakPolarHBondContact O-CB 3.14Å; A607-L611 PolarHBondContact O-N 3.14Å; A607-L634 HydrophobicContact CB-CD2 3.84Å; A607-F737 HydrophobicContact CB-CD2 3.98Å; A607-F737 HydrophobicContact CB-CE2 4.22Å; A607-T756 HydrophobicContact CB-CG2 3.51Å
608T97.2Very high95.6Very high4 Ų417.6 Ų17.63%0.02510%0.1CC..Hα-helixtrans-64.8-44174.4-61.90000110.8N604 H605 T606 L611 N612 F636N604-T608 WeakPolarHBondContact O-CB 3.47Å; N604-T608 PolarHBondContact O-N 2.88Å; N604-T608 PolarHBondContact O-OG1 2.85Å; H605-T608 VanDerWaalsContact O-CB 3.3Å; H605-T608 WeakPolarHBondContact O-CB 3.33Å; H605-T608 PolarHBondContact O-N 2.92Å; T606-T608 VanDerWaalsContact C-N 3.3Å; T606-T608 PolarHBondContact O-N 2.94Å; T608-L611 PolarHBondContact O-N 2.83Å; T608-N612 WeakPolarHBondContact O-CB 3.37Å; T608-N612 PolarHBondContact O-N 3.19Å; T608-F636 HydrophobicContact CG2-CD2 3.6Å; T608-F636 HydrophobicContact CG2-CE2 3.98Å
609H96.4Very high95.5Very high11 Ų1120 Ų205%0.05111%0.112CC..Hα-helixtrans-63.7-42.6174.2-64.4-59.5000112.2H605 T606 L611 N612 F613 S719 E721 H727H605-H609 AromaticContact CD2-CD2 4Å; H605-H609 AromaticContact CD2-NE2 3.54Å; H605-H609 AromaticContact NE2-NE2 3.67Å; H605-H609 PolarHBondContact O-CD2 3.03Å; H605-H609 PolarHBondContact O-N 2.89Å; T606-H609 PolarHBondContact O-N 3.3Å; H609-L611 VanDerWaalsContact C-N 3.33Å; H609-L611 PolarHBondContact O-N 3.2Å; H609-N612 PolarHBondContact O-N 2.88Å; H609-F613 PolarHBondContact O-N 3.41Å; H609-S719 WeakPolarHBondContact CB-OG 3.34Å; H609-S719 PolarHBondContact O-OG 3.33Å; H609-E721 IonicContact CE1-OE2 3.07Å; H609-E721 PolarHBondContact CE1-OE2 3.49Å; H609-E721 IonicContact CG-OE2 3.75Å; H609-E721 IonicContact ND1-OE1 2.56Å; H609-E721 PolarHBondContact ND1-OE1 3.12Å; H609-E721 IonicContact ND1-OE2 3.09Å; H609-E721 PolarHBondContact ND1-OE2 3.11Å; H609-H727 AromaticContact CD2-CE1 3.4Å; H609-H727 PolarHBondContact CD2-CE1 3.23Å; H609-H727 VanDerWaalsContact CD2-CE1 3.4Å; H609-H727 AromaticContact CD2-ND1 3.79Å; H609-H727 AromaticContact NE2-CE1 3.01Å; H609-H727 PolarHBondContact NE2-CE1 2.99Å; H609-H727 AromaticContact NE2-ND1 3.86Å; H609-H727 AromaticContact NE2-NE2 3.72Å
610I97.2Very high95Very high0 Ų019.6 Ų19.60%012%0.124CC..Hα-helixtrans-59.9-43.5174.3-67.8173.2000111.3T606 A607 F613 A614 A656 M659 I660 I699T606-I610 HydrophobicContact CG2-CD1 4.33Å; T606-I610 WeakPolarHBondContact O-CG1 3.44Å; T606-I610 PolarHBondContact O-N 2.92Å; A607-I610 PolarHBondContact O-N 3.42Å; I610-F613 PolarHBondContact O-N 2.88Å; I610-A614 WeakPolarHBondContact O-CB 3.5Å; I610-A614 PolarHBondContact O-N 3.23Å; I610-A656 VanDerWaalsContact CG2-CA 3.48Å; I610-A656 HydrophobicContact CG2-CB 3.72Å; I610-M659 HydrophobicContact CD1-CB 4.5Å; I610-M659 HydrophobicContact CG1-CE 4.35Å; I610-M659 HydrophobicContact CG2-CB 3.93Å; I610-M659 HydrophobicContact CG2-CG 4.48Å; I610-M659 HydrophobicContact CG2-SD 3.94Å; I610-I660 HydrophobicContact CD1-CG1 3.77Å; I610-I699 HydrophobicContact CD1-CD1 4.11Å; I610-I699 HydrophobicContact CG1-CD1 3.49Å; I610-I699 VanDerWaalsContact CG1-CD1 3.49Å
611L97.3Very high94.4Very high0 Ų024 Ų240%014%0.141CC..Hα-helixtrans-64.3-43.5177.3173.761.6000111.7A607 T608 H609 F613 A614 L615 L634 F636 T652 F737 I739 I752A607-L611 VanDerWaalsContact O-CB 3.31Å; A607-L611 WeakPolarHBondContact O-CB 3.14Å; A607-L611 PolarHBondContact O-N 3.14Å; T608-L611 PolarHBondContact O-N 2.83Å; H609-L611 VanDerWaalsContact C-N 3.33Å; H609-L611 PolarHBondContact O-N 3.2Å; L611-F613 VanDerWaalsContact C-N 3.35Å; L611-F613 PolarHBondContact O-N 2.89Å; L611-A614 PolarHBondContact O-N 3.47Å; L611-L615 HydrophobicContact CD1-CD1 4.02Å; L611-L615 HydrophobicContact CD1-CG 3.98Å; L611-L615 HydrophobicContact CG-CD1 3.97Å; L611-L615 HydrophobicContact CG-CG 4.4Å; L611-L615 WeakPolarHBondContact O-CB 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.15Å; L611-L615 PolarHBondContact O-N 2.72Å; L611-L634 HydrophobicContact CD2-CD1 3.78Å; L611-F636 HydrophobicContact CD2-CB 3.83Å; L611-F636 HydrophobicContact CD2-CD1 4.44Å; L611-F636 HydrophobicContact CD2-CG 4.27Å; L611-T652 HydrophobicContact CD1-CG2 3.68Å; L611-F737 HydrophobicContact CB-CZ 4.24Å; L611-F737 HydrophobicContact CD1-CZ 4.14Å; L611-F737 HydrophobicContact CD2-CZ 4.41Å; L611-F737 HydrophobicContact CG-CZ 4.49Å; L611-I739 HydrophobicContact CD1-CD1 4.22Å; L611-I752 HydrophobicContact CD1-CD1 4.38Å; L611-I752 HydrophobicContact CD1-CG2 4.5Å; L611-I752 HydrophobicContact CD2-CB 4.37Å; L611-I752 HydrophobicContact CD2-CG2 3.67Å
612N95.3Very high93.8Very high15 Ų1524.1 Ų24.18%0.0814%0.142CC..Hα-helixtrans-58.5-47.5177.4-171.622.4000111.2T608 H609 A614 L615 R616 F636 E721T608-N612 WeakPolarHBondContact O-CB 3.37Å; T608-N612 PolarHBondContact O-N 3.19Å; H609-N612 PolarHBondContact O-N 2.88Å; N612-A614 PolarHBondContact O-N 2.81Å; N612-L615 PolarHBondContact O-N 3.38Å; N612-R616 PolarHBondContact O-N 2.89Å; N612-F636 HydrophobicContact CB-CE1 4.34Å; N612-F636 HydrophobicContact CB-CE2 4.2Å; N612-F636 HydrophobicContact CB-CZ 3.73Å; N612-F636 WeakPolarHBondContact OD1-CZ 3.36Å; N612-E721 PolarHBondContact ND2-OE1 3.42Å
613F95.2Very high93.2Very high53 Ų5326.6 Ų26.623%0.23216%0.155CC..Hα-helixtrans-58.9-46.6173.5178.9-92.7000112.2H609 I610 L611 R616 G617 I655 M659 T718H609-F613 PolarHBondContact O-N 3.41Å; I610-F613 PolarHBondContact O-N 2.88Å; L611-F613 VanDerWaalsContact C-N 3.35Å; L611-F613 PolarHBondContact O-N 2.89Å; F613-R616 PolarHBondContact O-N 3.13Å; F613-G617 PolarHBondContact O-N 2.71Å; F613-I655 HydrophobicContact CD1-CG2 4.5Å; F613-M659 HydrophobicContact CD1-CE 4Å; F613-M659 HydrophobicContact CD1-SD 3.36Å; F613-M659 WeakPolarHBondContact CD1-SD 3.38Å; F613-M659 HydrophobicContact CE1-CE 4.41Å; F613-M659 HydrophobicContact CE1-SD 3.85Å; F613-M659 HydrophobicContact CG-CE 4.38Å; F613-M659 HydrophobicContact CG-SD 4.19Å; F613-T718 VanDerWaalsContact CD2-C 3.43Å; F613-T718 WeakPolarHBondContact CD2-O 3.4Å; F613-T718 VanDerWaalsContact CE2-C 3.44Å; F613-T718 WeakPolarHBondContact CE2-O 3.35Å
614A96.1Very high92.7Very high0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-61.9-45.3-179.700000112.7I610 L611 N612 R616 G617 V618 T652 I655 A656I610-A614 WeakPolarHBondContact O-CB 3.5Å; I610-A614 PolarHBondContact O-N 3.23Å; L611-A614 PolarHBondContact O-N 3.47Å; N612-A614 PolarHBondContact O-N 2.81Å; A614-R616 VanDerWaalsContact C-N 3.31Å; A614-R616 PolarHBondContact O-N 3.4Å; A614-G617 PolarHBondContact O-N 2.95Å; A614-V618 WeakPolarHBondContact O-CG2 3.22Å; A614-V618 PolarHBondContact O-N 2.85Å; A614-V618 VanDerWaalsContact O-N 3.13Å; A614-T652 HydrophobicContact CB-CG2 3.9Å; A614-I655 HydrophobicContact CB-CB 3.93Å; A614-I655 HydrophobicContact CB-CG2 3.72Å; A614-A656 HydrophobicContact CB-CB 4.44Å
615L95.5Very high92.1Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-59.6-43.9178.3-80168.6000111.6L611 N612 G617 V618 L619 A622 F636 F638 L644 T652 I752L611-L615 HydrophobicContact CD1-CD1 4.02Å; L611-L615 HydrophobicContact CD1-CG 3.98Å; L611-L615 HydrophobicContact CG-CD1 3.97Å; L611-L615 HydrophobicContact CG-CG 4.4Å; L611-L615 WeakPolarHBondContact O-CB 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.15Å; L611-L615 PolarHBondContact O-N 2.72Å; N612-L615 PolarHBondContact O-N 3.38Å; L615-G617 VanDerWaalsContact C-N 3.34Å; L615-G617 PolarHBondContact O-N 2.77Å; L615-V618 PolarHBondContact O-N 2.88Å; L615-V618 VanDerWaalsContact O-N 3.16Å; L615-L619 HydrophobicContact CD2-CD1 4.17Å; L615-L619 WeakPolarHBondContact O-CB 3.41Å; L615-L619 PolarHBondContact O-N 3.39Å; L615-A622 HydrophobicContact CB-CB 4.11Å; L615-F636 HydrophobicContact CD1-CD1 3.63Å; L615-F636 HydrophobicContact CD1-CE1 3.73Å; L615-F638 HydrophobicContact CD1-CD1 3.92Å; L615-F638 HydrophobicContact CD1-CD2 4.3Å; L615-F638 HydrophobicContact CD1-CE1 4.04Å; L615-F638 HydrophobicContact CD1-CE2 4.4Å; L615-F638 HydrophobicContact CD1-CG 4.07Å; L615-F638 HydrophobicContact CD1-CZ 4.27Å; L615-F638 HydrophobicContact CD2-CE1 4.39Å; L615-F638 HydrophobicContact CD2-CE2 3.97Å; L615-F638 HydrophobicContact CD2-CZ 3.87Å; L615-L644 HydrophobicContact CD2-CD2 4.02Å; L615-T652 HydrophobicContact CD2-CG2 3.77Å; L615-T652 HydrophobicContact CG-CG2 3.86Å; L615-I752 HydrophobicContact CD1-CD1 4.16Å; L615-I752 HydrophobicContact CD2-CD1 3.72Å; L615-I752 HydrophobicContact CG-CD1 4.37Å
616R90.4Very high91.4Very high88 Ų8833.7 Ų33.733%0.33219%0.188SC..Hα-helixtrans-64.7-39.7177.5-163.7-179.5176.7134.3-3.5112.1N612 F613 A614 V618 G620 R683N612-R616 PolarHBondContact O-N 2.89Å; F613-R616 PolarHBondContact O-N 3.13Å; A614-R616 VanDerWaalsContact C-N 3.31Å; A614-R616 PolarHBondContact O-N 3.4Å; R616-V618 PolarHBondContact O-N 3.15Å; R616-G620 WeakPolarHBondContact CG-O 3.47Å; R616-G620 VanDerWaalsContact O-CA 3.27Å; R616-G620 WeakPolarHBondContact O-CA 3.46Å; R616-G620 PolarHBondContact O-N 2.79Å; R616-R683 VanDerWaalsContact CZ-NH2 3.26Å; R616-R683 VanDerWaalsContact NH1-CD 3.27Å
617G90.6Very high91Very high63 Ų6334.5 Ų34.565%0.64919%0.194SC*.Hα-helixtrans-60.7-30174.400000113.5F613 A614 L615F613-G617 PolarHBondContact O-N 2.71Å; A614-G617 PolarHBondContact O-N 2.95Å; L615-G617 VanDerWaalsContact C-N 3.34Å; L615-G617 PolarHBondContact O-N 2.77Å
618V95.1Very high90.6Very high26 Ų2636.3 Ų36.316%0.15820%0.203CC..Hα-helixtrans-90.3-41.2-179.21760000112.8A614 L615 R616 E648 R651 I655A614-V618 WeakPolarHBondContact O-CG2 3.22Å; A614-V618 PolarHBondContact O-N 2.85Å; A614-V618 VanDerWaalsContact O-N 3.13Å; L615-V618 PolarHBondContact O-N 2.88Å; L615-V618 VanDerWaalsContact O-N 3.16Å; R616-V618 PolarHBondContact O-N 3.15Å; V618-E648 HydrophobicContact CG1-CB 3.82Å; V618-E648 HydrophobicContact CG1-CG 3.81Å; V618-R651 HydrophobicContact CG2-CB 4Å; V618-I655 HydrophobicContact CG2-CD1 3.77Å
619L91.7Very high90.5Very high50 Ų5036.1 Ų36.126%0.26220%0.202SC..Hα-helixtrans-103.3-16.2-170.7-58.3178.1000114.1L615 E621 A622 F638 A640 L644L615-L619 HydrophobicContact CD2-CD1 4.17Å; L615-L619 WeakPolarHBondContact O-CB 3.41Å; L615-L619 PolarHBondContact O-N 3.39Å; L619-E621 VanDerWaalsContact C-N 3.27Å; L619-E621 PolarHBondContact O-N 3.14Å; L619-E621 VanDerWaalsContact O-N 3.08Å; L619-A622 HydrophobicContact CD1-CB 4.43Å; L619-F638 HydrophobicContact CD1-CD2 4.3Å; L619-F638 HydrophobicContact CD1-CE2 3.64Å; L619-A640 HydrophobicContact CD1-CB 4.37Å; L619-L644 HydrophobicContact CD1-CD1 4.13Å; L619-L644 HydrophobicContact CD1-CD2 4.38Å; L619-L644 HydrophobicContact CD1-CG 4.35Å; L619-L644 HydrophobicContact CD2-CG 4.33Å
620G84.2Confident90.2Very high44 Ų4436 Ų3645%0.45420%0.203SC..SBendtrans81-65.1-173.400000112.7R616R616-G620 WeakPolarHBondContact CG-O 3.47Å; R616-G620 VanDerWaalsContact O-CA 3.27Å; R616-G620 WeakPolarHBondContact O-CA 3.46Å; R616-G620 PolarHBondContact O-N 2.79Å
621E77.9Confident89.5Confident135 Ų13537.7 Ų37.763%0.63121%0.214SC*.  trans-110.2117.5175.2-69.6-168.1159.200110.8L619L619-E621 VanDerWaalsContact C-N 3.27Å; L619-E621 PolarHBondContact O-N 3.14Å; L619-E621 VanDerWaalsContact O-N 3.08Å
622A84.8Confident89Confident2 Ų241.3 Ų41.32%0.01723%0.233CC..  trans-151.377.5179.600000108.9L615 L619 F638L615-A622 HydrophobicContact CB-CB 4.11Å; L619-A622 HydrophobicContact CD1-CB 4.43Å; A622-F638 HydrophobicContact CB-CD2 4.1Å
623D84.9Confident88.8Confident53 Ų5345.8 Ų45.828%0.28325%0.249SC..  trans-81.3136.3-179.6-67.8-29.8000110.6R625 F638 T639D623-R625 PolarHBondContact O-N 2.88Å; D623-F638 CarbonylContact O-C 3.43Å; D623-F638 WeakPolarHBondContact O-CA 3.14Å; D623-T639 HydrophobicContact CB-CG2 4.33Å; D623-T639 PolarHBondContact N-OG1 3.45Å; D623-T639 PolarHBondContact O-N 3.18Å
624Q85.8Confident88.8Confident42 Ų4243.2 Ų43.220%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-62.7133.1175.6-178.8177.6-38.500111F636Q624-F636 HydrophobicContact CB-CE2 4.12Å; Q624-F636 HydrophobicContact CB-CZ 3.88Å; Q624-F636 HydrophobicContact CG-CE2 3.81Å; Q624-F636 HydrophobicContact CG-CZ 4.07Å
625R84.8Confident88.8Confident103 Ų10346.7 Ų46.739%0.38925%0.251SS..EExtended strand (participates in β ladder)trans-119-12.9174.4-65.3-62.1177-174.4-5.7113.5D623 D637 T639 I749D623-R625 PolarHBondContact O-N 2.88Å; R625-D637 HydrophobicContact CB-CB 4.47Å; R625-D637 PolarHBondContact N-O 3.34Å; R625-T639 HydrophobicContact CG-CG2 3.77Å; R625-I749 HydrophobicContact CB-CG2 4.32Å; R625-I749 HydrophobicContact CG-CD1 4.44Å
626G82.7Confident88.8Confident18 Ų1846.7 Ų46.719%0.18625%0.251CS..EExtended strand (participates in β ladder)trans-176.9150.4178.300000110.8D637G626-D637 PolarHBondContact N-O 3.06Å; G626-D637 PolarHBondContact O-N 2.94Å
627S89.4Confident88.9Confident18 Ų1843.1 Ų43.113%0.12624%0.238CC..EExtended strand (participates in β ladder)trans-140.4148.9176.8-173.70000109.8R635S627-R635 CarbonylContact C-O 3.57Å; S627-R635 WeakPolarHBondContact CA-O 3.36Å
628L90.1Very high88.9Confident38 Ų3840.1 Ų40.120%0.19921%0.207CC..EExtended strand (participates in β ladder)trans-141.6124.4163.8166.875.8000107.3G540 T542 L634 R635G540-L628 CarbonylContact O-C 3.5Å; G540-L628 VanDerWaalsContact O-CA 3.3Å; G540-L628 WeakPolarHBondContact O-CA 3.24Å; T542-L628 HydrophobicContact CG2-CD1 3.69Å; L628-L634 CarbonylContact O-C 3.56Å; L628-L634 VanDerWaalsContact O-CA 3.3Å; L628-L634 WeakPolarHBondContact O-CA 3.27Å; L628-R635 HydrophobicContact CB-CB 4.11Å; L628-R635 PolarHBondContact N-O 3.49Å; L628-R635 PolarHBondContact O-N 2.67Å
629V95.6Very high88.6Confident0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-116.9104175.3-176.60000107.5G540 Q541 T542 I601 N604 H605G540-V629 PolarHBondContact O-N 3.03Å; Q541-V629 HydrophobicContact CB-CB 4.38Å; T542-V629 WeakPolarHBondContact CG2-O 3.47Å; T542-V629 PolarHBondContact N-O 3.32Å; T542-V629 PolarHBondContact OG1-O 3.3Å; I601-V629 HydrophobicContact CG2-CG1 4.09Å; I601-V629 VanDerWaalsContact O-CG1 3.31Å; I601-V629 WeakPolarHBondContact O-CG1 3.32Å; N604-V629 HydrophobicContact CB-CG1 3.69Å; H605-V629 HydrophobicContact CB-CG1 3.87Å; H605-V629 VanDerWaalsContact N-CG1 3.34Å
630A89.4Confident88.4Confident9 Ų938.5 Ų38.57%0.07420%0.201CC..  trans-113.1169.1178.200000110T542 N604 D632 R633T542-A630 HydrophobicContact CG2-CB 4.34Å; N604-A630 PolarHBondContact ND2-O 3.13Å; A630-D632 VanDerWaalsContact C-N 3.32Å; A630-D632 PolarHBondContact O-N 3.19Å; A630-R633 CarbonylContact C-O 3.49Å; A630-R633 PolarHBondContact N-O 3.37Å; A630-R633 VanDerWaalsContact O-O 3.05Å
631P83.9Confident88.3Confident34 Ų3446.8 Ų46.822%0.22122%0.224CC..SBendtrans-62.9-36.4179.6-20.429.5000113.8R597 P600 I601 N604R597-P631 HydrophobicContact CG-CB 4.44Å; R597-P631 HydrophobicContact CG-CG 3.68Å; P600-P631 HydrophobicContact CB-CB 4.35Å; P600-P631 WeakPolarHBondContact CB-O 3.41Å; I601-P631 HydrophobicContact CD1-CG 3.91Å; I601-P631 HydrophobicContact CG1-CB 4.19Å; I601-P631 HydrophobicContact CG1-CG 3.75Å; N604-P631 PolarHBondContact ND2-O 3.04Å
632D84.9Confident88.6Confident76 Ų7642.2 Ų42.241%0.40621%0.214SC..SBendtrans-91.8-20.6-172.865.8-47.9000113.5A630A630-D632 VanDerWaalsContact C-N 3.32Å; A630-D632 PolarHBondContact O-N 3.19Å
633R91.2Very high88.9Confident109 Ų10945.2 Ų45.241%0.41124%0.238SC..  trans-161.8162.4-176.564.8-172.6-177.3-99.71.5112.9N604 A630 V753 A754 V755N604-R633 PolarHBondContact ND2-N 3.42Å; A630-R633 CarbonylContact C-O 3.49Å; A630-R633 PolarHBondContact N-O 3.37Å; A630-R633 VanDerWaalsContact O-O 3.05Å; R633-V753 HydrophobicContact CB-CG1 4.31Å; R633-A754 WeakPolarHBondContact CA-O 3.44Å; R633-V755 HydrophobicContact CB-CG1 4.16Å
634L96.6Very high89.4Confident0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-114.7150.4160.267.995.5000110.9N604 A607 L611 L628 F636 F737 V753 A754N604-L634 HydrophobicContact CB-CB 4.15Å; N604-L634 HydrophobicContact CB-CD2 4.26Å; N604-L634 VanDerWaalsContact O-CD2 3.32Å; N604-L634 WeakPolarHBondContact O-CD2 3.32Å; A607-L634 HydrophobicContact CB-CD2 3.84Å; L611-L634 HydrophobicContact CD2-CD1 3.78Å; L628-L634 CarbonylContact O-C 3.56Å; L628-L634 VanDerWaalsContact O-CA 3.3Å; L628-L634 WeakPolarHBondContact O-CA 3.27Å; L634-F636 HydrophobicContact CD1-CB 4.48Å; L634-F737 HydrophobicContact CD2-CE2 4.18Å; L634-V753 WeakPolarHBondContact O-CA 3.48Å; L634-A754 HydrophobicContact CD1-CB 3.88Å; L634-A754 HydrophobicContact CD2-CB 4.36Å; L634-A754 HydrophobicContact CG-CB 3.97Å; L634-A754 PolarHBondContact N-O 2.83Å; L634-A754 PolarHBondContact O-N 3.17Å
635R95.1Very high89.9Confident72 Ų7244.1 Ų44.127%0.27224%0.239SC..EExtended strand (participates in β ladder)trans-129.5126.8175.1177.4-163.983.7-177.4-6.6108S627 L628 R751 I752 V753S627-R635 CarbonylContact C-O 3.57Å; S627-R635 WeakPolarHBondContact CA-O 3.36Å; L628-R635 HydrophobicContact CB-CB 4.11Å; L628-R635 PolarHBondContact N-O 3.49Å; L628-R635 PolarHBondContact O-N 2.67Å; R635-R751 VanDerWaalsContact CD-CZ 3.49Å; R635-R751 VanDerWaalsContact CD-NE 3.33Å; R635-R751 HydrophobicContact CG-CG 3.85Å; R635-I752 CarbonylContact C-O 3.56Å; R635-I752 WeakPolarHBondContact CA-O 3.44Å; R635-V753 HydrophobicContact CG-CG2 4.45Å
636F95.2Very high90.5Very high0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-126.9118.8-176.9-167.2-104.6000109.8T608 L611 N612 L615 Q624 L634 F638 R751 I752T608-F636 HydrophobicContact CG2-CD2 3.6Å; T608-F636 HydrophobicContact CG2-CE2 3.98Å; L611-F636 HydrophobicContact CD2-CB 3.83Å; L611-F636 HydrophobicContact CD2-CD1 4.44Å; L611-F636 HydrophobicContact CD2-CG 4.27Å; N612-F636 HydrophobicContact CB-CE1 4.34Å; N612-F636 HydrophobicContact CB-CE2 4.2Å; N612-F636 HydrophobicContact CB-CZ 3.73Å; N612-F636 WeakPolarHBondContact OD1-CZ 3.36Å; L615-F636 HydrophobicContact CD1-CD1 3.63Å; L615-F636 HydrophobicContact CD1-CE1 3.73Å; Q624-F636 HydrophobicContact CB-CE2 4.12Å; Q624-F636 HydrophobicContact CB-CZ 3.88Å; Q624-F636 HydrophobicContact CG-CE2 3.81Å; Q624-F636 HydrophobicContact CG-CZ 4.07Å; L634-F636 HydrophobicContact CD1-CB 4.48Å; F636-F638 HydrophobicContact CD1-CB 4.11Å; F636-F638 AromaticContact CD1-CD1 3.96Å; F636-F638 HydrophobicContact CD1-CD1 3.96Å; F636-F638 HydrophobicContact CD1-CG 4.35Å; F636-F638 HydrophobicContact CE1-CB 3.8Å; F636-F638 HydrophobicContact CE1-CD1 4.43Å; F636-F638 HydrophobicContact CE1-CG 4.37Å; F636-R751 WeakPolarHBondContact O-CA 3.43Å; F636-I752 PolarHBondContact N-O 2.96Å; F636-I752 PolarHBondContact O-N 3.01Å
637D92.4Very high91.2Very high13 Ų1342.7 Ų42.77%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-104.5128.2179.5-56-14.6000108R625 G626 I745 I749 R750 R751R625-D637 HydrophobicContact CB-CB 4.47Å; R625-D637 PolarHBondContact N-O 3.34Å; G626-D637 PolarHBondContact N-O 3.06Å; G626-D637 PolarHBondContact O-N 2.94Å; D637-I745 HydrophobicContact CB-CD1 3.97Å; D637-I745 WeakPolarHBondContact OD1-CD1 3.39Å; D637-I745 WeakPolarHBondContact OD2-CD1 3.5Å; D637-I749 HydrophobicContact CB-CG2 4.45Å; D637-R750 CarbonylContact C-O 3.58Å; D637-R750 VanDerWaalsContact CA-O 3.31Å; D637-R750 WeakPolarHBondContact CA-O 3.27Å; D637-R751 WeakPolarHBondContact OD1-CG 3.29Å; D637-R751 IonicContact OD1-CZ 3.13Å; D637-R751 IonicContact OD1-NE 3.86Å; D637-R751 PolarHBondContact OD1-NE 3Å; D637-R751 IonicContact OD1-NH2 3.47Å; D637-R751 PolarHBondContact OD1-NH2 3.35Å; D637-R751 IonicContact OD2-CZ 2.68Å; D637-R751 IonicContact OD2-NE 3.57Å; D637-R751 IonicContact OD2-NH2 2.78Å; D637-R751 PolarHBondContact OD2-NH2 2.87Å
638F91.8Very high91.5Very high0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-144.4156.9-172.464.2-77.8000112L615 L619 A622 D623 F636 A640 L644 I749 R750 I752L615-F638 HydrophobicContact CD1-CD1 3.92Å; L615-F638 HydrophobicContact CD1-CD2 4.3Å; L615-F638 HydrophobicContact CD1-CE1 4.04Å; L615-F638 HydrophobicContact CD1-CE2 4.4Å; L615-F638 HydrophobicContact CD1-CG 4.07Å; L615-F638 HydrophobicContact CD1-CZ 4.27Å; L615-F638 HydrophobicContact CD2-CE1 4.39Å; L615-F638 HydrophobicContact CD2-CE2 3.97Å; L615-F638 HydrophobicContact CD2-CZ 3.87Å; L619-F638 HydrophobicContact CD1-CD2 4.3Å; L619-F638 HydrophobicContact CD1-CE2 3.64Å; A622-F638 HydrophobicContact CB-CD2 4.1Å; D623-F638 CarbonylContact O-C 3.43Å; D623-F638 WeakPolarHBondContact O-CA 3.14Å; F636-F638 HydrophobicContact CD1-CB 4.11Å; F636-F638 AromaticContact CD1-CD1 3.96Å; F636-F638 HydrophobicContact CD1-CD1 3.96Å; F636-F638 HydrophobicContact CD1-CG 4.35Å; F636-F638 HydrophobicContact CE1-CB 3.8Å; F636-F638 HydrophobicContact CE1-CD1 4.43Å; F636-F638 HydrophobicContact CE1-CG 4.37Å; F638-A640 HydrophobicContact CD2-CB 4.18Å; F638-A640 HydrophobicContact CE2-CB 3.82Å; F638-L644 HydrophobicContact CE2-CD1 3.95Å; F638-L644 HydrophobicContact CZ-CD1 3.76Å; F638-L644 HydrophobicContact CZ-CD2 4.28Å; F638-I749 WeakPolarHBondContact O-CA 3.42Å; F638-R750 HydrophobicContact CD1-CB 4.46Å; F638-R750 WeakPolarHBondContact CD1-O 3.36Å; F638-R750 HydrophobicContact CE1-CB 3.9Å; F638-R750 HydrophobicContact CE2-CB 4.16Å; F638-R750 HydrophobicContact CZ-CB 3.74Å; F638-R750 PolarHBondContact N-O 3.28Å; F638-R750 PolarHBondContact O-N 2.77Å; F638-I752 HydrophobicContact CE1-CB 4.33Å; F638-I752 HydrophobicContact CE1-CD1 3.73Å; F638-I752 HydrophobicContact CE1-CG1 3.86Å; F638-I752 HydrophobicContact CZ-CD1 3.95Å; F638-I752 HydrophobicContact CZ-CG1 4.37Å
639T88.1Confident91.9Very high29 Ų2942.6 Ų42.618%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-73.9130.8173.7590000110.6D623 R625 G748D623-T639 HydrophobicContact CB-CG2 4.33Å; D623-T639 PolarHBondContact N-OG1 3.45Å; D623-T639 PolarHBondContact O-N 3.18Å; R625-T639 HydrophobicContact CG-CG2 3.77Å; T639-G748 WeakPolarHBondContact CA-O 3.39Å
640A87.4Confident92Very high13 Ų1347.1 Ų47.111%0.10726%0.259CS..  trans-150.2148.4168.300000110.7L619 F638 G642 L644 G748 R750L619-A640 HydrophobicContact CD1-CB 4.37Å; F638-A640 HydrophobicContact CD2-CB 4.18Å; F638-A640 HydrophobicContact CE2-CB 3.82Å; A640-G642 PolarHBondContact O-N 2.85Å; A640-L644 HydrophobicContact CB-CD1 4.45Å; A640-G748 PolarHBondContact N-O 3.49Å; A640-G748 CarbonylContact O-C 3.59Å; A640-G748 WeakPolarHBondContact O-CA 3.41Å; A640-R750 HydrophobicContact CB-CG 3.75Å
641K81.6Confident92.4Very high218 Ų21852.8 Ų52.895%0.94828%0.279SS*.SBendtrans-64.2-21.1-179.2-64.7-174.8178.5-174.50113.4
642G85.1Confident93.1Very high39 Ų3951.1 Ų51.140%0.40227%0.268SS..SBendtrans-171-172-178.300000112.5A640A640-G642 PolarHBondContact O-N 2.85Å
643A91.5Very high93.8Very high65 Ų6548 Ų4854%0.53725%0.251SS..PPolyproline II helixtrans-65.8138.3172.800000110.7R750A643-R750 VanDerWaalsContact CB-NH2 3.33Å
644L95.1Very high94.1Very high14 Ų1447.1 Ų47.17%0.07325%0.251CS..PPolyproline II helixtrans-68.8136.3175.2-79.963.9000109.3L615 L619 F638 A640 E648 I649 E742 I752L615-L644 HydrophobicContact CD2-CD2 4.02Å; L619-L644 HydrophobicContact CD1-CD1 4.13Å; L619-L644 HydrophobicContact CD1-CD2 4.38Å; L619-L644 HydrophobicContact CD1-CG 4.35Å; L619-L644 HydrophobicContact CD2-CG 4.33Å; F638-L644 HydrophobicContact CE2-CD1 3.95Å; F638-L644 HydrophobicContact CZ-CD1 3.76Å; F638-L644 HydrophobicContact CZ-CD2 4.28Å; A640-L644 HydrophobicContact CB-CD1 4.45Å; L644-E648 HydrophobicContact CB-CB 4.25Å; L644-E648 HydrophobicContact CG-CB 4.39Å; L644-I649 HydrophobicContact CB-CD1 4.28Å; L644-I649 HydrophobicContact CB-CG1 3.69Å; L644-I649 HydrophobicContact CD2-CG1 4.22Å; L644-E742 HydrophobicContact CB-CG 4.34Å; L644-E742 HydrophobicContact CD1-CG 4.48Å; L644-I752 HydrophobicContact CD2-CD1 4.43Å
645S96.1Very high94.1Very high59 Ų5949.8 Ų49.841%0.41327%0.265SS..PPolyproline II helixtrans-67.1154.8168.764.90000110.9G647 E648 I649S645-G647 PolarHBondContact O-N 3.37Å; S645-G647 VanDerWaalsContact O-N 3.09Å; S645-E648 VanDerWaalsContact CB-OE2 3.32Å; S645-E648 WeakPolarHBondContact CB-OE2 3.28Å; S645-E648 PolarHBondContact N-OE2 3.43Å; S645-E648 PolarHBondContact O-N 3.47Å; S645-E648 VanDerWaalsContact OG-CD 3.25Å; S645-E648 VanDerWaalsContact OG-CG 3.28Å; S645-E648 WeakPolarHBondContact OG-CG 3.14Å; S645-E648 PolarHBondContact OG-N 3.19Å; S645-E648 PolarHBondContact OG-OE2 3.49Å; S645-I649 PolarHBondContact O-N 3.46Å
646T96.5Very high94.2Very high52 Ų5246.3 Ų46.332%0.31925%0.252SS..Hα-helixtrans-51.2-36.1174.2-550000112.2R650 W810 D813T646-R650 WeakPolarHBondContact O-CB 3.48Å; T646-R650 PolarHBondContact O-N 2.86Å; T646-W810 HydrophobicContact CG2-CB 3.88Å; T646-D813 HydrophobicContact CG2-CB 3.88Å; T646-D813 PolarHBondContact OG1-OD2 3.08Å
647G97.4Very high94.3Very high39 Ų3948.4 Ų48.440%0.40227%0.266SS..Hα-helixtrans-70.5-35.6175.900000114.1S645 R651S645-G647 PolarHBondContact O-N 3.37Å; S645-G647 VanDerWaalsContact O-N 3.09Å; G647-R651 WeakPolarHBondContact O-CB 3.49Å; G647-R651 WeakPolarHBondContact O-CG 3.38Å; G647-R651 PolarHBondContact O-N 2.89Å
648E97.3Very high94.6Very high51 Ų5150 Ų5024%0.23828%0.281CS..Hα-helixtrans-70.4-41.9174.5-73.5160.4144.900111.9V618 L644 S645 R650 R651 T652V618-E648 HydrophobicContact CG1-CB 3.82Å; V618-E648 HydrophobicContact CG1-CG 3.81Å; L644-E648 HydrophobicContact CB-CB 4.25Å; L644-E648 HydrophobicContact CG-CB 4.39Å; S645-E648 VanDerWaalsContact CB-OE2 3.32Å; S645-E648 WeakPolarHBondContact CB-OE2 3.28Å; S645-E648 PolarHBondContact N-OE2 3.43Å; S645-E648 PolarHBondContact O-N 3.47Å; S645-E648 VanDerWaalsContact OG-CD 3.25Å; S645-E648 VanDerWaalsContact OG-CG 3.28Å; S645-E648 WeakPolarHBondContact OG-CG 3.14Å; S645-E648 PolarHBondContact OG-N 3.19Å; S645-E648 PolarHBondContact OG-OE2 3.49Å; E648-R650 VanDerWaalsContact C-N 3.33Å; E648-R650 PolarHBondContact O-N 3.48Å; E648-R651 PolarHBondContact O-N 3.27Å; E648-T652 WeakPolarHBondContact O-CB 3.4Å; E648-T652 PolarHBondContact O-N 3.06Å; E648-T652 PolarHBondContact O-OG1 3.07Å
649I97.9Very high94.7Very high3 Ų351.2 Ų51.22%0.01529%0.287CS..Hα-helixtrans-58.8-47.9173.8-62.8174.9000109.8L644 S645 T652 E653 I739 E742 Q809 W810L644-I649 HydrophobicContact CB-CD1 4.28Å; L644-I649 HydrophobicContact CB-CG1 3.69Å; L644-I649 HydrophobicContact CD2-CG1 4.22Å; S645-I649 PolarHBondContact O-N 3.46Å; I649-T652 PolarHBondContact O-N 3.39Å; I649-E653 PolarHBondContact O-N 2.97Å; I649-I739 HydrophobicContact CG2-CB 4.49Å; I649-I739 HydrophobicContact CG2-CD1 4.45Å; I649-I739 HydrophobicContact CG2-CG2 4.12Å; I649-E742 HydrophobicContact CD1-CB 3.86Å; I649-E742 HydrophobicContact CD1-CG 4.22Å; I649-Q809 HydrophobicContact CD1-CG 3.96Å; I649-Q809 HydrophobicContact CG2-CB 4.23Å; I649-W810 HydrophobicContact CB-CB 4.49Å; I649-W810 HydrophobicContact CG2-CB 4.23Å
650R98.2Very high95.1Very high94 Ų9450.4 Ų50.436%0.35528%0.282SS..Hα-helixtrans-58.9-49.7177.9180175.3173.8167.4-1.5112.3T646 E648 T652 E653 E654 W810 E814T646-R650 WeakPolarHBondContact O-CB 3.48Å; T646-R650 PolarHBondContact O-N 2.86Å; E648-R650 VanDerWaalsContact C-N 3.33Å; E648-R650 PolarHBondContact O-N 3.48Å; R650-T652 VanDerWaalsContact C-N 3.3Å; R650-T652 PolarHBondContact O-N 3.17Å; R650-E653 PolarHBondContact O-N 3Å; R650-E654 HydrophobicContact CG-CG 4.34Å; R650-E654 WeakPolarHBondContact CG-OE1 3.25Å; R650-E654 IonicContact CZ-OE1 2.77Å; R650-E654 IonicContact NE-OE1 2.82Å; R650-E654 PolarHBondContact NE-OE1 3.36Å; R650-E654 IonicContact NH2-OE1 3.35Å; R650-E654 PolarHBondContact NH2-OE1 2.87Å; R650-E654 WeakPolarHBondContact O-CB 3.19Å; R650-E654 WeakPolarHBondContact O-CG 3.3Å; R650-E654 PolarHBondContact O-N 3.34Å; R650-W810 HydrophobicContact CB-CB 3.97Å; R650-W810 HydrophobicContact CB-CD2 4.05Å; R650-W810 HydrophobicContact CB-CG 3.79Å; R650-W810 HydrophobicContact CG-CD2 3.94Å; R650-W810 HydrophobicContact CG-CE3 4.24Å; R650-W810 HydrophobicContact CG-CG 4.2Å; R650-E814 IonicContact NH1-OE1 2.72Å; R650-E814 PolarHBondContact NH1-OE1 2.93Å
651R98.1Very high95.6Very high128 Ų12858.3 Ų58.348%0.48331%0.314SS..Hα-helixtrans-60.9-39.6178.5-75.3-172.9-62.31794.6112.1V618 G647 E648 E654 I655V618-R651 HydrophobicContact CG2-CB 4Å; G647-R651 WeakPolarHBondContact O-CB 3.49Å; G647-R651 WeakPolarHBondContact O-CG 3.38Å; G647-R651 PolarHBondContact O-N 2.89Å; E648-R651 PolarHBondContact O-N 3.27Å; R651-E654 PolarHBondContact O-N 2.77Å; R651-I655 VanDerWaalsContact O-CG1 3.28Å; R651-I655 WeakPolarHBondContact O-CG1 3.23Å; R651-I655 PolarHBondContact O-N 3.35Å
652T98.1Very high96.2Very high0 Ų052.6 Ų52.60%029%0.293CS..Hα-helixtrans-61.5-48.4176.7-550000110.7L611 A614 L615 E648 I649 R650 E654 I655 A656 I739L611-T652 HydrophobicContact CD1-CG2 3.68Å; A614-T652 HydrophobicContact CB-CG2 3.9Å; L615-T652 HydrophobicContact CD2-CG2 3.77Å; L615-T652 HydrophobicContact CG-CG2 3.86Å; E648-T652 WeakPolarHBondContact O-CB 3.4Å; E648-T652 PolarHBondContact O-N 3.06Å; E648-T652 PolarHBondContact O-OG1 3.07Å; I649-T652 PolarHBondContact O-N 3.39Å; R650-T652 VanDerWaalsContact C-N 3.3Å; R650-T652 PolarHBondContact O-N 3.17Å; T652-E654 PolarHBondContact O-N 3.41Å; T652-I655 PolarHBondContact O-N 2.98Å; T652-A656 PolarHBondContact O-N 3.31Å; T652-I739 HydrophobicContact CG2-CD1 4.02Å
653E98.4Very high96.7Very high9 Ų952.9 Ų52.94%0.04229%0.292CS..Hα-helixtrans-63.3-39.4176.6-172.6172.6101.400112.2I649 R650 A656 C657 F737 I739 S808 W810I649-E653 PolarHBondContact O-N 2.97Å; R650-E653 PolarHBondContact O-N 3Å; E653-A656 PolarHBondContact O-N 3.38Å; E653-C657 VanDerWaalsContact O-CB 3.32Å; E653-C657 WeakPolarHBondContact O-CB 3.32Å; E653-C657 PolarHBondContact O-N 2.97Å; E653-C657 PolarHBondContact O-SG 3.29Å; E653-F737 HydrophobicContact CG-CD1 4.32Å; E653-I739 HydrophobicContact CB-CD1 4Å; E653-I739 HydrophobicContact CB-CG1 4.3Å; E653-I739 PolarHBondContact OE2-N 3.39Å; E653-S808 WeakPolarHBondContact OE1-CB 3.12Å; E653-S808 PolarHBondContact OE1-OG 2.83Å; E653-S808 PolarHBondContact OE2-OG 3Å; E653-W810 PolarHBondContact OE1-NE1 3.36Å
654E98.1Very high96.9Very high91 Ų9154.1 Ų54.143%0.42529%0.285SS..Hα-helixtrans-64.1-43.2177.4-76.3172.1173.800112.1R650 R651 T652 A658R650-E654 HydrophobicContact CG-CG 4.34Å; R650-E654 WeakPolarHBondContact CG-OE1 3.25Å; R650-E654 IonicContact CZ-OE1 2.77Å; R650-E654 IonicContact NE-OE1 2.82Å; R650-E654 PolarHBondContact NE-OE1 3.36Å; R650-E654 IonicContact NH2-OE1 3.35Å; R650-E654 PolarHBondContact NH2-OE1 2.87Å; R650-E654 WeakPolarHBondContact O-CB 3.19Å; R650-E654 WeakPolarHBondContact O-CG 3.3Å; R650-E654 PolarHBondContact O-N 3.34Å; R651-E654 PolarHBondContact O-N 2.77Å; T652-E654 PolarHBondContact O-N 3.41Å; E654-A658 WeakPolarHBondContact O-CB 3.49Å; E654-A658 PolarHBondContact O-N 3.23Å
655I97.2Very high97Very high56 Ų5656 Ų5629%0.28730%0.299SS..Hα-helixtrans-63.5-46.5175.5-67.4163.5000110.3F613 A614 V618 R651 T652 C657 A658 M659F613-I655 HydrophobicContact CD1-CG2 4.5Å; A614-I655 HydrophobicContact CB-CB 3.93Å; A614-I655 HydrophobicContact CB-CG2 3.72Å; V618-I655 HydrophobicContact CG2-CD1 3.77Å; R651-I655 VanDerWaalsContact O-CG1 3.28Å; R651-I655 WeakPolarHBondContact O-CG1 3.23Å; R651-I655 PolarHBondContact O-N 3.35Å; T652-I655 PolarHBondContact O-N 2.98Å; I655-C657 PolarHBondContact O-N 2.78Å; I655-A658 WeakPolarHBondContact O-CB 3.28Å; I655-A658 PolarHBondContact O-N 3.34Å; I655-M659 HydrophobicContact CG2-SD 4.49Å; I655-M659 WeakPolarHBondContact O-CG 3.33Å; I655-M659 PolarHBondContact O-N 2.82Å
656A97.5Very high97.1Very high0 Ų054.1 Ų54.10%028%0.284CS..Hα-helixtrans-60.8-46.8178.800000111.8I610 A614 T652 E653 A658 M659 I660 F737I610-A656 VanDerWaalsContact CG2-CA 3.48Å; I610-A656 HydrophobicContact CG2-CB 3.72Å; A614-A656 HydrophobicContact CB-CB 4.44Å; T652-A656 PolarHBondContact O-N 3.31Å; E653-A656 PolarHBondContact O-N 3.38Å; A656-A658 VanDerWaalsContact C-N 3.3Å; A656-A658 PolarHBondContact O-N 3.4Å; A656-M659 PolarHBondContact O-N 3.31Å; A656-I660 WeakPolarHBondContact O-CG1 3.41Å; A656-I660 PolarHBondContact O-N 3.2Å; A656-I660 VanDerWaalsContact O-N 3.1Å; A656-F737 HydrophobicContact CB-CD1 3.74Å; A656-F737 HydrophobicContact CB-CE1 3.69Å; A656-F737 HydrophobicContact CB-CG 4.44Å; A656-F737 HydrophobicContact CB-CZ 4.36Å
657C97.3Very high97.1Very high44 Ų4455.7 Ų55.730%0.29729%0.285SS..Hα-helixtrans-60.8-37.9175.2-720000112.5E653 I655 I660 K661E653-C657 VanDerWaalsContact O-CB 3.32Å; E653-C657 WeakPolarHBondContact O-CB 3.32Å; E653-C657 PolarHBondContact O-N 2.97Å; E653-C657 PolarHBondContact O-SG 3.29Å; I655-C657 PolarHBondContact O-N 2.78Å; C657-I660 PolarHBondContact O-N 3.31Å; C657-K661 VanDerWaalsContact O-CB 3.29Å; C657-K661 WeakPolarHBondContact O-CB 3.35Å; C657-K661 PolarHBondContact O-N 3.19Å
658A97Very high97Very high47 Ų4756.1 Ų56.139%0.38829%0.285SS..Hα-helixtrans-64.5-45.7176.900000111.6E654 I655 A656 I660 K661 D662E654-A658 WeakPolarHBondContact O-CB 3.49Å; E654-A658 PolarHBondContact O-N 3.23Å; I655-A658 WeakPolarHBondContact O-CB 3.28Å; I655-A658 PolarHBondContact O-N 3.34Å; A656-A658 VanDerWaalsContact C-N 3.3Å; A656-A658 PolarHBondContact O-N 3.4Å; A658-I660 VanDerWaalsContact C-N 3.3Å; A658-I660 PolarHBondContact O-N 3.17Å; A658-K661 PolarHBondContact O-N 2.74Å; A658-K661 VanDerWaalsContact O-N 3.13Å; A658-D662 PolarHBondContact O-N 2.7Å
659M95.8Very high96.9Very high25 Ų2556.4 Ų56.412%0.12329%0.287CS..Hα-helixtrans-63.1-35.3177.4-69.6-176.873.500113.3I610 F613 I655 A656 S731I610-M659 HydrophobicContact CD1-CB 4.5Å; I610-M659 HydrophobicContact CG1-CE 4.35Å; I610-M659 HydrophobicContact CG2-CB 3.93Å; I610-M659 HydrophobicContact CG2-CG 4.48Å; I610-M659 HydrophobicContact CG2-SD 3.94Å; F613-M659 HydrophobicContact CD1-CE 4Å; F613-M659 HydrophobicContact CD1-SD 3.36Å; F613-M659 WeakPolarHBondContact CD1-SD 3.38Å; F613-M659 HydrophobicContact CE1-CE 4.41Å; F613-M659 HydrophobicContact CE1-SD 3.85Å; F613-M659 HydrophobicContact CG-CE 4.38Å; F613-M659 HydrophobicContact CG-SD 4.19Å; I655-M659 HydrophobicContact CG2-SD 4.49Å; I655-M659 WeakPolarHBondContact O-CG 3.33Å; I655-M659 PolarHBondContact O-N 2.82Å; A656-M659 PolarHBondContact O-N 3.31Å; M659-S731 PolarHBondContact O-OG 3.38Å
660I96.4Very high96.7Very high12 Ų1262.6 Ų62.66%0.06232%0.316CS..Hα-helixtrans-67.3-46.6172.8-68170000109.6I610 A656 C657 A658 D662 A663 G732 A734 A735 F737I610-I660 HydrophobicContact CD1-CG1 3.77Å; A656-I660 WeakPolarHBondContact O-CG1 3.41Å; A656-I660 PolarHBondContact O-N 3.2Å; A656-I660 VanDerWaalsContact O-N 3.1Å; C657-I660 PolarHBondContact O-N 3.31Å; A658-I660 VanDerWaalsContact C-N 3.3Å; A658-I660 PolarHBondContact O-N 3.17Å; I660-D662 VanDerWaalsContact C-N 3.29Å; I660-D662 PolarHBondContact O-N 3.15Å; I660-A663 PolarHBondContact O-N 2.94Å; I660-G732 WeakPolarHBondContact O-CA 3.49Å; I660-G732 PolarHBondContact O-N 2.58Å; I660-A734 HydrophobicContact CD1-CB 4.08Å; I660-A734 HydrophobicContact CG1-CB 4.15Å; I660-A734 HydrophobicContact CG2-CB 4.35Å; I660-A735 WeakPolarHBondContact CG2-O 3.46Å; I660-F737 HydrophobicContact CD1-CB 3.47Å; I660-F737 VanDerWaalsContact CD1-CB 3.47Å; I660-F737 HydrophobicContact CD1-CG 4.24Å
661K96.5Very high96.4Very high179 Ų17958.2 Ų58.278%0.77830%0.3SS*.Hα-helixtrans-62.9-33.9-179.8-174.9-178.3176.8-173.80113.2C657 A658 A663C657-K661 VanDerWaalsContact O-CB 3.29Å; C657-K661 WeakPolarHBondContact O-CB 3.35Å; C657-K661 PolarHBondContact O-N 3.19Å; A658-K661 PolarHBondContact O-N 2.74Å; A658-K661 VanDerWaalsContact O-N 3.13Å; K661-A663 PolarHBondContact O-N 3.21Å
662D95.2Very high96.2Very high97 Ų9754.9 Ų54.952%0.51930%0.295SS..THydrogen-bonded Turntrans-63-17.4176-77.2-1.2000112.8A658 I660 K664A658-D662 PolarHBondContact O-N 2.7Å; I660-D662 VanDerWaalsContact C-N 3.29Å; I660-D662 PolarHBondContact O-N 3.15Å; D662-K664 VanDerWaalsContact C-N 3.29Å; D662-K664 HydrophobicContact CB-CG 4.01Å; D662-K664 PolarHBondContact O-N 2.87Å
663A95.6Very high95.7Very high45 Ų4555.9 Ų55.937%0.37230%0.3SS..THydrogen-bonded Turntrans49.148.1174.100000113.1I660 K661 N730I660-A663 PolarHBondContact O-N 2.94Å; K661-A663 PolarHBondContact O-N 3.21Å; A663-N730 WeakPolarHBondContact CA-OD1 3.49Å; A663-N730 WeakPolarHBondContact CB-OD1 2.92Å; A663-N730 PolarHBondContact O-ND2 3.48Å; A663-N730 PolarHBondContact O-OD1 3.02Å
664K96.1Very high95.2Very high91 Ų9159.2 Ų59.240%0.39633%0.329SS..  trans-80.5147.4-178.1-63.4-169.1-176.3175.80111D662 I699 N730 S731D662-K664 VanDerWaalsContact C-N 3.29Å; D662-K664 HydrophobicContact CB-CG 4.01Å; D662-K664 PolarHBondContact O-N 2.87Å; K664-I699 HydrophobicContact CB-CG2 4.35Å; K664-N730 WeakPolarHBondContact O-CA 3.4Å; K664-S731 PolarHBondContact N-OG 3.2Å; K664-S731 PolarHBondContact O-N 2.9Å; K664-S731 PolarHBondContact O-OG 3.42Å
665P96.9Very high94.7Very high55 Ų5560 Ų6036%0.35733%0.333SS..BIsolated β-bridgetrans-59.2147.5174-22.132.8000111.8Y667 G700 Q729P665-Y667 HydrophobicContact CB-CE1 4.36Å; P665-Y667 HydrophobicContact CB-CE2 3.8Å; P665-Y667 HydrophobicContact CG-CE2 4.47Å; P665-G700 WeakPolarHBondContact O-CA 3.47Å; P665-G700 PolarHBondContact O-N 3.41Å; P665-Q729 CarbonylContact C-O 3.57Å; P665-Q729 WeakPolarHBondContact CA-O 3.22Å
666V97.7Very high94.4Very high18 Ų1857.4 Ų57.411%0.10932%0.319CS..EExtended strand (participates in β ladder)trans-107118.4172.8-1790000107.8T606 V697 I699 H727 L728 Q729T606-V666 HydrophobicContact CG2-CG2 4.16Å; V666-V697 HydrophobicContact CG1-CG1 3.94Å; V666-I699 HydrophobicContact CG2-CG1 4.36Å; V666-H727 HydrophobicContact CG1-CB 4.26Å; V666-L728 WeakPolarHBondContact CB-O 3.36Å; V666-L728 WeakPolarHBondContact CG1-O 3.33Å; V666-L728 WeakPolarHBondContact CG2-O 3.36Å; V666-Q729 PolarHBondContact N-O 3.1Å
667Y96.9Very high94Very high85 Ų8563.7 Ų63.733%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-98.8141.1-179.5-60.1-80.3000109.9P665 V697 S698 T701 P702P665-Y667 HydrophobicContact CB-CE1 4.36Å; P665-Y667 HydrophobicContact CB-CE2 3.8Å; P665-Y667 HydrophobicContact CG-CE2 4.47Å; Y667-V697 CarbonylContact O-C 3.59Å; Y667-V697 WeakPolarHBondContact O-CA 3.31Å; Y667-S698 PolarHBondContact N-O 2.96Å; Y667-S698 PolarHBondContact O-N 3.33Å; Y667-T701 WeakPolarHBondContact CD2-O 3.46Å; Y667-P702 HydrophobicContact CE1-CB 4.5Å; Y667-P702 HydrophobicContact CE1-CG 4.23Å; Y667-P702 HydrophobicContact CE2-CG 4.04Å
668A95.3Very high93.6Very high49 Ų4964.3 Ų64.341%0.40536%0.355SS..EExtended strand (participates in β ladder)trans-137.8133.8171.900000109.6V696 V697A668-V696 CarbonylContact C-O 3.57Å; A668-V696 VanDerWaalsContact CA-O 3.28Å; A668-V696 WeakPolarHBondContact CA-O 3.38Å; A668-V697 HydrophobicContact CB-CG2 4.12Å
669M94.4Very high93.2Very high57 Ų5762.4 Ų62.428%0.28134%0.338SS..EExtended strand (participates in β ladder)trans-152.1144-176.9-167.1170.878.300111V696 V703 Q704 L707M669-V696 PolarHBondContact N-O 3.3Å; M669-V696 PolarHBondContact O-N 2.54Å; M669-V703 HydrophobicContact CB-CB 3.97Å; M669-V703 HydrophobicContact CB-CG1 4.13Å; M669-V703 HydrophobicContact CB-CG2 4.23Å; M669-V703 HydrophobicContact CE-CB 3.98Å; M669-V703 HydrophobicContact CE-CG1 3.75Å; M669-Q704 HydrophobicContact CE-CB 4.24Å; M669-Q704 HydrophobicContact SD-CB 4.49Å; M669-L707 HydrophobicContact CE-CD1 3.27Å
670E94.1Very high92.8Very high133 Ų13365.6 Ų65.662%0.62135%0.353SS*.EExtended strand (participates in β ladder)trans-78.4134.7167.2-70-174.9175.800110.3P693 V694E670-P693 HydrophobicContact CB-CB 4.31Å; E670-V694 CarbonylContact C-O 3.54Å; E670-V694 WeakPolarHBondContact CA-O 3.32Å
671A92.7Very high92.3Very high2 Ų265.4 Ų65.42%0.01735%0.354CS..EExtended strand (participates in β ladder)trans-139.9152-178.700000110.7L673 A676 V694 V696 L707A671-L673 PolarHBondContact O-N 3.19Å; A671-A676 HydrophobicContact CB-CB 4.12Å; A671-V694 PolarHBondContact N-O 3.34Å; A671-V694 PolarHBondContact O-N 2.74Å; A671-V696 HydrophobicContact CB-CG2 4.14Å; A671-L707 HydrophobicContact CB-CD1 3.76Å; A671-L707 HydrophobicContact CB-CD2 4.13Å
672P92.6Very high91.9Very high58 Ų5858 Ų5838%0.37732%0.323SS..  trans-57.4129.2170.4-23.434.1000110.6A674 Q675 A676 D692P672-A674 PolarHBondContact O-N 2.85Å; P672-A674 VanDerWaalsContact O-N 3.15Å; P672-Q675 HydrophobicContact CB-CB 4.46Å; P672-Q675 HydrophobicContact CB-CG 4.27Å; P672-Q675 PolarHBondContact O-N 2.85Å; P672-A676 PolarHBondContact O-N 2.84Å; P672-D692 WeakPolarHBondContact CA-OD1 3.34Å
673L88.5Confident91.4Very high21 Ų2156.3 Ų56.311%0.1131%0.309CS..Hα-helixtrans-55.1-40.4-172.3179.962.4000112.6A671 A676 K677 D692 V694 F722A671-L673 PolarHBondContact O-N 3.19Å; L673-A676 PolarHBondContact O-N 3.23Å; L673-K677 HydrophobicContact CD1-CD 4.32Å; L673-K677 HydrophobicContact CD1-CG 4.22Å; L673-K677 HydrophobicContact CG-CD 4.3Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 WeakPolarHBondContact O-CG 3.32Å; L673-K677 PolarHBondContact O-N 2.97Å; L673-D692 HydrophobicContact CB-CB 3.91Å; L673-D692 PolarHBondContact N-OD1 3.28Å; L673-V694 HydrophobicContact CB-CG1 4.39Å; L673-V694 HydrophobicContact CD1-CB 3.95Å; L673-V694 HydrophobicContact CD1-CG1 3.82Å; L673-V694 HydrophobicContact CD1-CG2 4.37Å; L673-F722 HydrophobicContact CD1-CE2 4.08Å; L673-F722 HydrophobicContact CD1-CZ 4.1Å
674A87.1Confident90.6Very high79 Ų7956.2 Ų56.265%0.65331%0.308SS*.Hα-helixtrans-64.1-39.7179.700000113P672P672-A674 PolarHBondContact O-N 2.85Å; P672-A674 VanDerWaalsContact O-N 3.15Å
675Q88.9Confident89.5Confident108 Ų10853.6 Ų53.651%0.50530%0.3SS..Hα-helixtrans-72.8-42.8178.4-65.6179.512.200110.7P672 K677 A678 L707P672-Q675 HydrophobicContact CB-CB 4.46Å; P672-Q675 HydrophobicContact CB-CG 4.27Å; P672-Q675 PolarHBondContact O-N 2.85Å; Q675-K677 PolarHBondContact O-N 2.9Å; Q675-A678 WeakPolarHBondContact O-CB 3.43Å; Q675-A678 PolarHBondContact O-N 2.94Å; Q675-A678 VanDerWaalsContact O-N 3.09Å; Q675-L707 HydrophobicContact CB-CD2 4.01Å
676A90.3Very high87.3Confident0 Ų057.8 Ų57.80%031%0.313CS..Hα-helixtrans-64.4-40.5-179.800000111.8A671 P672 L673 A678 I679 L682 V694 V696 L707 F722A671-A676 HydrophobicContact CB-CB 4.12Å; P672-A676 PolarHBondContact O-N 2.84Å; L673-A676 PolarHBondContact O-N 3.23Å; A676-A678 PolarHBondContact O-N 2.89Å; A676-I679 WeakPolarHBondContact O-CB 3.4Å; A676-I679 WeakPolarHBondContact O-CG1 3.37Å; A676-I679 PolarHBondContact O-N 2.96Å; A676-I679 VanDerWaalsContact O-N 3.08Å; A676-L682 WeakPolarHBondContact O-CD1 3.38Å; A676-V694 HydrophobicContact CB-CG1 3.84Å; A676-V696 HydrophobicContact CB-CG2 3.78Å; A676-L707 HydrophobicContact CB-CD2 4.44Å; A676-F722 HydrophobicContact CB-CE1 3.6Å; A676-F722 HydrophobicContact CB-CZ 4.03Å
677K89.1Confident85.2Confident132 Ų13261.1 Ų61.157%0.57433%0.33SS*.Hα-helixtrans-61.1-22.4173.9-78.6-175.4176.8-177.10114L673 Q675 I679 F722L673-K677 HydrophobicContact CD1-CD 4.32Å; L673-K677 HydrophobicContact CD1-CG 4.22Å; L673-K677 HydrophobicContact CG-CD 4.3Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 WeakPolarHBondContact O-CG 3.32Å; L673-K677 PolarHBondContact O-N 2.97Å; Q675-K677 PolarHBondContact O-N 2.9Å; K677-I679 VanDerWaalsContact C-N 3.29Å; K677-F722 HydrophobicContact CG-CE2 3.99Å; K677-F722 HydrophobicContact CG-CZ 3.82Å
678A88.1Confident83.7Confident57 Ų5761 Ų6147%0.47133%0.333SS..THydrogen-bonded Turntrans-78.2-13.6177.900000113Q675 A676 Q680 P710Q675-A678 WeakPolarHBondContact O-CB 3.43Å; Q675-A678 PolarHBondContact O-N 2.94Å; Q675-A678 VanDerWaalsContact O-N 3.09Å; A676-A678 PolarHBondContact O-N 2.89Å; A678-Q680 PolarHBondContact O-N 2.91Å; A678-P710 HydrophobicContact CB-CB 4.13Å; A678-P710 WeakPolarHBondContact O-CB 3.44Å
679I89.9Confident82.2Confident8 Ų863 Ų634%0.04134%0.34CS..SBendtrans-67119.7-178-58.1171.4000110.2A676 K677 G681 L682 L706 L707 I720A676-I679 WeakPolarHBondContact O-CB 3.4Å; A676-I679 WeakPolarHBondContact O-CG1 3.37Å; A676-I679 PolarHBondContact O-N 2.96Å; A676-I679 VanDerWaalsContact O-N 3.08Å; K677-I679 VanDerWaalsContact C-N 3.29Å; I679-G681 PolarHBondContact O-N 2.95Å; I679-L682 HydrophobicContact CB-CB 4.01Å; I679-L682 HydrophobicContact CB-CD1 4.38Å; I679-L682 HydrophobicContact CD1-CD1 4.18Å; I679-L682 HydrophobicContact CG2-CB 4.32Å; I679-L682 VanDerWaalsContact O-CB 3.29Å; I679-L682 WeakPolarHBondContact O-CB 3.44Å; I679-L682 PolarHBondContact O-N 3.41Å; I679-L682 VanDerWaalsContact O-N 3.15Å; I679-L706 HydrophobicContact CD1-CB 4.12Å; I679-L706 HydrophobicContact CG1-CB 4.49Å; I679-L706 HydrophobicContact CG2-CB 3.98Å; I679-L707 HydrophobicContact CD1-CD2 3.8Å; I679-L707 HydrophobicContact CD1-CG 4.22Å; I679-L707 HydrophobicContact CG1-CD2 4.29Å; I679-I720 HydrophobicContact CD1-CD1 3.99Å; I679-I720 HydrophobicContact CG2-CD1 3.93Å
680Q86.8Confident81.4Confident92 Ų9261.6 Ų61.643%0.4333%0.331SS..THydrogen-bonded Turntrans-65126.1177.2-166.9-174-3000110.6A678 L682 P710 N711 G715A678-Q680 PolarHBondContact O-N 2.91Å; Q680-L682 VanDerWaalsContact C-N 3.32Å; Q680-P710 VanDerWaalsContact CB-O 3.28Å; Q680-P710 WeakPolarHBondContact CB-O 3.32Å; Q680-P710 PolarHBondContact N-O 3.1Å; Q680-N711 PolarHBondContact OE1-O 2.96Å; Q680-G715 CarbonylContact O-C 3.54Å; Q680-G715 VanDerWaalsContact O-C 3.25Å; Q680-G715 VanDerWaalsContact O-CA 3.24Å; Q680-G715 WeakPolarHBondContact O-CA 3.29Å
681G84.7Confident80.7Confident8 Ų858.4 Ų58.48%0.08232%0.322CS..THydrogen-bonded Turntrans90.1-8.9-178.800000114.2I679 R683 G715I679-G681 PolarHBondContact O-N 2.95Å; G681-R683 PolarHBondContact O-N 3.27Å; G681-R683 PolarHBondContact O-NE 3.46Å; G681-R683 VanDerWaalsContact O-NE 3.11Å; G681-R683 PolarHBondContact O-NH1 3.43Å; G681-R683 VanDerWaalsContact O-NH1 3.12Å; G681-R683 PolarHBondContact O-NH2 3.35Å; G681-G715 WeakPolarHBondContact CA-O 3.46Å
682L88.6Confident80.2Confident23 Ų2362.5 Ų62.512%0.1234%0.344CS..  trans-57.2139.5170.3-174.2138.5000110.8A676 I679 Q680 A684 V696 I720 F722A676-L682 WeakPolarHBondContact O-CD1 3.38Å; I679-L682 HydrophobicContact CB-CB 4.01Å; I679-L682 HydrophobicContact CB-CD1 4.38Å; I679-L682 HydrophobicContact CD1-CD1 4.18Å; I679-L682 HydrophobicContact CG2-CB 4.32Å; I679-L682 VanDerWaalsContact O-CB 3.29Å; I679-L682 WeakPolarHBondContact O-CB 3.44Å; I679-L682 PolarHBondContact O-N 3.41Å; I679-L682 VanDerWaalsContact O-N 3.15Å; Q680-L682 VanDerWaalsContact C-N 3.32Å; L682-A684 HydrophobicContact CD2-CB 4.38Å; L682-V696 HydrophobicContact CD1-CG1 3.97Å; L682-I720 HydrophobicContact CB-CG1 4.34Å; L682-I720 HydrophobicContact CD1-CD1 4.12Å; L682-I720 HydrophobicContact CD1-CG1 3.93Å; L682-I720 HydrophobicContact CG-CG1 4.2Å; L682-F722 HydrophobicContact CD1-CD1 3.93Å; L682-F722 HydrophobicContact CD1-CE1 3.43Å; L682-F722 VanDerWaalsContact CD1-CE1 3.43Å; L682-F722 HydrophobicContact CD1-CZ 4.04Å; L682-F722 HydrophobicContact CD2-CD1 4.08Å; L682-F722 HydrophobicContact CD2-CD2 4.16Å; L682-F722 HydrophobicContact CD2-CE1 3.63Å; L682-F722 HydrophobicContact CD2-CE2 3.75Å; L682-F722 HydrophobicContact CD2-CG 4.32Å; L682-F722 HydrophobicContact CD2-CZ 3.45Å; L682-F722 VanDerWaalsContact CD2-CZ 3.45Å; L682-F722 HydrophobicContact CG-CD1 4.5Å; L682-F722 HydrophobicContact CG-CE1 4.14Å; L682-F722 HydrophobicContact CG-CZ 4.41Å
683R84.3Confident80Confident61 Ų6163.1 Ų63.123%0.2335%0.348CS..BIsolated β-bridgetrans-110.6134.9175.6-47.7-62.3167.7-1353.2109.9R616 G681 I720 E721 F722R616-R683 VanDerWaalsContact CZ-NH2 3.26Å; R616-R683 VanDerWaalsContact NH1-CD 3.27Å; G681-R683 PolarHBondContact O-N 3.27Å; G681-R683 PolarHBondContact O-NE 3.46Å; G681-R683 VanDerWaalsContact O-NE 3.11Å; G681-R683 PolarHBondContact O-NH1 3.43Å; G681-R683 VanDerWaalsContact O-NH1 3.12Å; G681-R683 PolarHBondContact O-NH2 3.35Å; R683-I720 PolarHBondContact N-O 3.09Å; R683-E721 HydrophobicContact CB-CB 4.41Å; R683-E721 HydrophobicContact CB-CG 3.92Å; R683-E721 HydrophobicContact CG-CG 4.34Å; R683-E721 VanDerWaalsContact O-CA 3.27Å; R683-E721 WeakPolarHBondContact O-CA 3.3Å; R683-F722 PolarHBondContact O-N 2.68Å; R683-F722 VanDerWaalsContact O-N 3.16Å
684A79.4Confident80.1Confident44 Ų4462.3 Ų62.336%0.36434%0.344SS..  trans-137.7146.9171.100000106.1L682 F686 Y690 F722L682-A684 HydrophobicContact CD2-CB 4.38Å; A684-F686 PolarHBondContact O-N 3.42Å; A684-Y690 HydrophobicContact CB-CE2 3.76Å; A684-F722 HydrophobicContact CB-CD2 3.57Å; A684-F722 HydrophobicContact CB-CE2 3.85Å
685V72.7Confident80.4Confident36 Ų3660.2 Ų60.222%0.21832%0.319CS..  trans-69.7125.7172.5-178.10000106.9D687 E688 Y690V685-D687 PolarHBondContact O-N 2.9Å; V685-E688 HydrophobicContact CB-CB 4.12Å; V685-E688 HydrophobicContact CB-CG 3.8Å; V685-E688 HydrophobicContact CG1-CG 3.95Å; V685-E688 PolarHBondContact O-N 3.29Å; V685-E688 VanDerWaalsContact O-N 3.11Å; V685-Y690 PolarHBondContact N-OH 3.48Å
686F51.4Low80.8Confident143 Ų14355.1 Ų55.163%0.62730%0.295SS*.THydrogen-bonded Turntrans-64.3-3.4-162.4-124.5-88.2000115.3K366 A684K366-F686 VanDerWaalsContact NZ-CE1 3.3Å; A684-F686 PolarHBondContact O-N 3.42Å
687D53.6Low81.1Confident87 Ų8755.4 Ų55.447%0.46530%0.297SS..THydrogen-bonded Turntrans-134.73.2-177.8-60.6-57.3000113.2L34 V685L34-D687 WeakPolarHBondContact CD2-O 3.24Å; V685-D687 PolarHBondContact O-N 2.9Å
688E65.4Low81.4Confident84 Ų8449.1 Ų49.139%0.39327%0.269SS..PPolyproline II helixtrans-83.6140.9175.9-78.5-178.5-178.200111.1V685 Y690V685-E688 HydrophobicContact CB-CB 4.12Å; V685-E688 HydrophobicContact CB-CG 3.8Å; V685-E688 HydrophobicContact CG1-CG 3.95Å; V685-E688 PolarHBondContact O-N 3.29Å; V685-E688 VanDerWaalsContact O-N 3.11Å; E688-Y690 HydrophobicContact CB-CE1 4.42Å; E688-Y690 HydrophobicContact CB-CE2 3.82Å; E688-Y690 WeakPolarHBondContact O-CD2 3.38Å; E688-Y690 WeakPolarHBondContact O-CE2 3.45Å; E688-Y690 PolarHBondContact OE2-OH 2.83Å
689T64.6Low81.8Confident90 Ų9046.6 Ų46.655%0.55225%0.248SC*.PPolyproline II helixtrans-94.1125.7169.5-51.80000110.2H61H61-T689 WeakPolarHBondContact CD2-CG2 3.41Å; H61-T689 WeakPolarHBondContact NE2-CG2 3.35Å
690Y77Confident82.1Confident27 Ų2747.3 Ų47.311%0.10626%0.258CS..PPolyproline II helixtrans-100.5141.9179.1-62.1-81000110.4A684 V685 E688 V694 F722A684-Y690 HydrophobicContact CB-CE2 3.76Å; V685-Y690 PolarHBondContact N-OH 3.48Å; E688-Y690 HydrophobicContact CB-CE1 4.42Å; E688-Y690 HydrophobicContact CB-CE2 3.82Å; E688-Y690 WeakPolarHBondContact O-CD2 3.38Å; E688-Y690 WeakPolarHBondContact O-CE2 3.45Å; E688-Y690 PolarHBondContact OE2-OH 2.83Å; Y690-V694 HydrophobicContact CD1-CG2 4.14Å; Y690-V694 HydrophobicContact CG-CG2 4.21Å; Y690-F722 HydrophobicContact CD1-CB 3.55Å; Y690-F722 AromaticContact CD1-CD2 3.82Å; Y690-F722 HydrophobicContact CD1-CD2 3.82Å; Y690-F722 HydrophobicContact CD1-CG 4.01Å; Y690-F722 AromaticContact CD2-CD2 3.52Å; Y690-F722 HydrophobicContact CD2-CD2 3.52Å; Y690-F722 HydrophobicContact CD2-CE2 4.05Å; Y690-F722 HydrophobicContact CD2-CG 4.48Å; Y690-F722 HydrophobicContact CE1-CB 3.37Å; Y690-F722 AromaticContact CE1-CD2 3.95Å; Y690-F722 HydrophobicContact CE1-CD2 3.95Å; Y690-F722 HydrophobicContact CE1-CG 4.12Å; Y690-F722 AromaticContact CE2-CD2 3.64Å; Y690-F722 HydrophobicContact CE2-CD2 3.64Å; Y690-F722 HydrophobicContact CE2-CE2 4.39Å; Y690-F722 HydrophobicContact CG-CB 4.24Å; Y690-F722 AromaticContact CG-CD2 3.61Å; Y690-F722 HydrophobicContact CG-CD2 3.61Å; Y690-F722 HydrophobicContact CG-CE2 4.31Å; Y690-F722 HydrophobicContact CG-CG 4.21Å; Y690-F722 AromaticContact CZ-CD2 3.85Å
691P79.1Confident82.4Confident66 Ų6644.1 Ų44.143%0.42925%0.245SC..PPolyproline II helixtrans-65161.517428.7-34.7000111.3P693 V694P691-P693 CarbonylContact C-O 3.59Å; P691-P693 CarbonylContact O-C 3.58Å; P691-P693 VanDerWaalsContact O-C 3.3Å; P691-V694 WeakPolarHBondContact O-CA 3.27Å; P691-V694 WeakPolarHBondContact O-CB 3.28Å; P691-V694 PolarHBondContact O-N 2.9Å
692D81.3Confident82.9Confident89 Ų8945.2 Ų45.248%0.47625%0.25SC..SBendtrans-122.1112.8169.4-169.920.4000108.8P672 L673P672-D692 WeakPolarHBondContact CA-OD1 3.34Å; L673-D692 HydrophobicContact CB-CB 3.91Å; L673-D692 PolarHBondContact N-OD1 3.28Å
693P88.9Confident83.2Confident71 Ų7144.2 Ų44.246%0.46125%0.245SC..SBendcis-70.9154.16.731.3-36.2000114E670 P691E670-P693 HydrophobicContact CB-CB 4.31Å; P691-P693 CarbonylContact C-O 3.59Å; P691-P693 CarbonylContact O-C 3.58Å; P691-P693 VanDerWaalsContact O-C 3.3Å
694V91.6Very high83.7Confident3 Ų345.7 Ų45.72%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-105.9142.117766.60000110.9E670 A671 L673 A676 Y690 P691 V696 F722E670-V694 CarbonylContact C-O 3.54Å; E670-V694 WeakPolarHBondContact CA-O 3.32Å; A671-V694 PolarHBondContact N-O 3.34Å; A671-V694 PolarHBondContact O-N 2.74Å; L673-V694 HydrophobicContact CB-CG1 4.39Å; L673-V694 HydrophobicContact CD1-CB 3.95Å; L673-V694 HydrophobicContact CD1-CG1 3.82Å; L673-V694 HydrophobicContact CD1-CG2 4.37Å; A676-V694 HydrophobicContact CB-CG1 3.84Å; Y690-V694 HydrophobicContact CD1-CG2 4.14Å; Y690-V694 HydrophobicContact CG-CG2 4.21Å; P691-V694 WeakPolarHBondContact O-CA 3.27Å; P691-V694 WeakPolarHBondContact O-CB 3.28Å; P691-V694 PolarHBondContact O-N 2.9Å; V694-V696 HydrophobicContact CG1-CG2 4.25Å; V694-F722 HydrophobicContact CG1-CD1 4Å; V694-F722 HydrophobicContact CG1-CE1 3.7Å; V694-F722 HydrophobicContact CG1-CZ 4.21Å; V694-F722 HydrophobicContact CG2-CB 4.05Å; V694-F722 HydrophobicContact CG2-CD1 3.65Å; V694-F722 HydrophobicContact CG2-CD2 4.29Å; V694-F722 HydrophobicContact CG2-CE1 4.15Å; V694-F722 HydrophobicContact CG2-CG 3.74Å
695R93.9Very high84.4Confident36 Ų3649.2 Ų49.214%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-85.2119.6173.2-169.2170.9179.3-95.210.1111.3F722 C723 G725R695-F722 WeakPolarHBondContact O-CA 3.3Å; R695-C723 PolarHBondContact NH1-O 3.27Å; R695-C723 PolarHBondContact O-N 3.45Å; R695-G725 PolarHBondContact NH1-O 2.9Å
696V95.5Very high85.3Confident0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-104.6133.7178.4-172.80000109.2A668 M669 A671 A676 L682 V694 V703 I720 F722A668-V696 CarbonylContact C-O 3.57Å; A668-V696 VanDerWaalsContact CA-O 3.28Å; A668-V696 WeakPolarHBondContact CA-O 3.38Å; M669-V696 PolarHBondContact N-O 3.3Å; M669-V696 PolarHBondContact O-N 2.54Å; A671-V696 HydrophobicContact CB-CG2 4.14Å; A676-V696 HydrophobicContact CB-CG2 3.78Å; L682-V696 HydrophobicContact CD1-CG1 3.97Å; V694-V696 HydrophobicContact CG1-CG2 4.25Å; V696-V703 HydrophobicContact CB-CG1 3.82Å; V696-V703 HydrophobicContact CB-CG2 4.44Å; V696-V703 HydrophobicContact CG1-CG1 3.9Å; V696-V703 HydrophobicContact CG1-CG2 4.32Å; V696-V703 HydrophobicContact CG2-CG1 4.4Å; V696-I720 HydrophobicContact CG1-CD1 3.76Å; V696-I720 HydrophobicContact CG1-CG1 3.81Å; V696-F722 HydrophobicContact CG2-CD1 4.01Å; V696-F722 HydrophobicContact CG2-CE1 3.99Å
697V96.8Very high87.2Confident6 Ų641.8 Ų41.84%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-116.6133.6176.2179.30000109.1V666 Y667 A668 I720 E721 C723V666-V697 HydrophobicContact CG1-CG1 3.94Å; Y667-V697 CarbonylContact O-C 3.59Å; Y667-V697 WeakPolarHBondContact O-CA 3.31Å; A668-V697 HydrophobicContact CB-CG2 4.12Å; V697-I720 CarbonylContact O-C 3.6Å; V697-I720 VanDerWaalsContact O-CA 3.27Å; V697-I720 WeakPolarHBondContact O-CA 3.43Å; V697-E721 PolarHBondContact N-O 3.35Å; V697-E721 PolarHBondContact O-N 3.38Å; V697-C723 HydrophobicContact CB-CB 4.43Å; V697-C723 HydrophobicContact CG2-CB 3.94Å
698S96.8Very high89.1Confident0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-138.6138.9-178.5176.50000111.3Y667 T701 S719Y667-S698 PolarHBondContact N-O 2.96Å; Y667-S698 PolarHBondContact O-N 3.33Å; S698-T701 VanDerWaalsContact CB-O 3.26Å; S698-T701 WeakPolarHBondContact CB-O 3.3Å; S698-T701 PolarHBondContact OG-O 2.98Å; S698-S719 WeakPolarHBondContact CA-O 3.39Å
699I96.4Very high90.3Very high4 Ų443.1 Ų43.12%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-99.6117.6178.1-55.2-177.5000109.4T606 I610 K664 V666 T701 T718 S719T606-I699 HydrophobicContact CG2-CD1 4.24Å; I610-I699 HydrophobicContact CD1-CD1 4.11Å; I610-I699 HydrophobicContact CG1-CD1 3.49Å; I610-I699 VanDerWaalsContact CG1-CD1 3.49Å; K664-I699 HydrophobicContact CB-CG2 4.35Å; V666-I699 HydrophobicContact CG2-CG1 4.36Å; I699-T701 PolarHBondContact O-N 3.04Å; I699-T701 VanDerWaalsContact O-N 3.12Å; I699-T718 WeakPolarHBondContact O-CB 3.33Å; I699-T718 PolarHBondContact O-OG1 2.97Å; I699-S719 PolarHBondContact N-O 3.18Å
700G94.6Very high91.5Very high24 Ų2440.4 Ų40.425%0.24722%0.223CC..SBendtrans78.7-14.4171.100000117.1P665P665-G700 WeakPolarHBondContact O-CA 3.47Å; P665-G700 PolarHBondContact O-N 3.41Å
701T94.4Very high92Very high25 Ų2545.1 Ų45.115%0.15325%0.25CC..SBendtrans-118.4125.8171.5-56.10000109.4Y667 S698 I699 V703 L706 A714Y667-T701 WeakPolarHBondContact CD2-O 3.46Å; S698-T701 VanDerWaalsContact CB-O 3.26Å; S698-T701 WeakPolarHBondContact CB-O 3.3Å; S698-T701 PolarHBondContact OG-O 2.98Å; I699-T701 PolarHBondContact O-N 3.04Å; I699-T701 VanDerWaalsContact O-N 3.12Å; T701-V703 PolarHBondContact O-N 3.33Å; T701-L706 HydrophobicContact CG2-CD1 3.94Å; T701-L706 HydrophobicContact CG2-CD2 3.92Å; T701-L706 HydrophobicContact CG2-CG 3.77Å; T701-A714 HydrophobicContact CG2-CB 4.21Å
702P95.8Very high92.4Very high30 Ų3043.2 Ų43.220%0.19524%0.238CC..  trans-56.9137.9176.8-25.534.9000112.3Y667 Q704 E705 L706Y667-P702 HydrophobicContact CE1-CB 4.5Å; Y667-P702 HydrophobicContact CE1-CG 4.23Å; Y667-P702 HydrophobicContact CE2-CG 4.04Å; P702-Q704 VanDerWaalsContact C-N 3.26Å; P702-Q704 PolarHBondContact O-N 2.81Å; P702-E705 HydrophobicContact CB-CB 4.46Å; P702-E705 HydrophobicContact CB-CG 4.09Å; P702-E705 HydrophobicContact CG-CG 4.26Å; P702-E705 PolarHBondContact O-N 3.08Å; P702-L706 PolarHBondContact O-N 2.84Å
703V94.3Very high92.7Very high3 Ų343.1 Ų43.12%0.01824%0.242CC..Hα-helixtrans-61.5-37.2179-177.20000111.1M669 V696 T701 E705 L706 L707M669-V703 HydrophobicContact CB-CB 3.97Å; M669-V703 HydrophobicContact CB-CG1 4.13Å; M669-V703 HydrophobicContact CB-CG2 4.23Å; M669-V703 HydrophobicContact CE-CB 3.98Å; M669-V703 HydrophobicContact CE-CG1 3.75Å; V696-V703 HydrophobicContact CB-CG1 3.82Å; V696-V703 HydrophobicContact CB-CG2 4.44Å; V696-V703 HydrophobicContact CG1-CG1 3.9Å; V696-V703 HydrophobicContact CG1-CG2 4.32Å; V696-V703 HydrophobicContact CG2-CG1 4.4Å; T701-V703 PolarHBondContact O-N 3.33Å; V703-E705 PolarHBondContact O-N 2.92Å; V703-L706 PolarHBondContact O-N 2.8Å; V703-L706 VanDerWaalsContact O-N 3.16Å; V703-L707 HydrophobicContact CG1-CD1 4.19Å; V703-L707 HydrophobicContact CG1-CG 4.39Å; V703-L707 WeakPolarHBondContact O-CG 3.24Å; V703-L707 PolarHBondContact O-N 2.9Å
704Q94.1Very high92.5Very high92 Ų9240.9 Ų40.943%0.4323%0.23SC..Hα-helixtrans-60.7-42.1178.8-170.961.953.500112.5M669 P702 L706 L707 D708M669-Q704 HydrophobicContact CE-CB 4.24Å; M669-Q704 HydrophobicContact SD-CB 4.49Å; P702-Q704 VanDerWaalsContact C-N 3.26Å; P702-Q704 PolarHBondContact O-N 2.81Å; Q704-L706 PolarHBondContact O-N 3.33Å; Q704-L707 PolarHBondContact O-N 3.46Å; Q704-L707 VanDerWaalsContact O-N 3.14Å; Q704-D708 PolarHBondContact NE2-OD1 3.17Å; Q704-D708 PolarHBondContact O-N 3.48Å
705E93.5Very high92.1Very high117 Ų11740.8 Ų40.855%0.54723%0.229SC..Hα-helixtrans-61.4-35.4177.3-69.3179.4-16800111.9P702 V703 D709P702-E705 HydrophobicContact CB-CB 4.46Å; P702-E705 HydrophobicContact CB-CG 4.09Å; P702-E705 HydrophobicContact CG-CG 4.26Å; P702-E705 PolarHBondContact O-N 3.08Å; V703-E705 PolarHBondContact O-N 2.92Å; E705-D709 PolarHBondContact O-N 3.39Å
706L92.4Very high91.6Very high3 Ų341.5 Ų41.52%0.01624%0.239CC..Hα-helixtrans-76.2-27.2178.1-64.5170.5000112.8I679 T701 P702 V703 Q704 D709 P710 A714 I720I679-L706 HydrophobicContact CD1-CB 4.12Å; I679-L706 HydrophobicContact CG1-CB 4.49Å; I679-L706 HydrophobicContact CG2-CB 3.98Å; T701-L706 HydrophobicContact CG2-CD1 3.94Å; T701-L706 HydrophobicContact CG2-CD2 3.92Å; T701-L706 HydrophobicContact CG2-CG 3.77Å; P702-L706 PolarHBondContact O-N 2.84Å; V703-L706 PolarHBondContact O-N 2.8Å; V703-L706 VanDerWaalsContact O-N 3.16Å; Q704-L706 PolarHBondContact O-N 3.33Å; L706-D709 CarbonylContact O-C 3.4Å; L706-P710 VanDerWaalsContact O-CA 3.25Å; L706-P710 WeakPolarHBondContact O-CA 3.36Å; L706-A714 HydrophobicContact CD2-CB 3.88Å; L706-I720 HydrophobicContact CB-CD1 4.49Å; L706-I720 HydrophobicContact CD1-CD1 3.43Å; L706-I720 VanDerWaalsContact CD1-CD1 3.43Å
707L91.7Very high91.2Very high20 Ų2047.8 Ų47.811%0.10527%0.272CS..Hα-helixtrans-76.4-36.4172.1-70.9171000112M669 A671 Q675 A676 I679 V703 Q704 P710M669-L707 HydrophobicContact CE-CD1 3.27Å; A671-L707 HydrophobicContact CB-CD1 3.76Å; A671-L707 HydrophobicContact CB-CD2 4.13Å; Q675-L707 HydrophobicContact CB-CD2 4.01Å; A676-L707 HydrophobicContact CB-CD2 4.44Å; I679-L707 HydrophobicContact CD1-CD2 3.8Å; I679-L707 HydrophobicContact CD1-CG 4.22Å; I679-L707 HydrophobicContact CG1-CD2 4.29Å; V703-L707 HydrophobicContact CG1-CD1 4.19Å; V703-L707 HydrophobicContact CG1-CG 4.39Å; V703-L707 WeakPolarHBondContact O-CG 3.24Å; V703-L707 PolarHBondContact O-N 2.9Å; Q704-L707 PolarHBondContact O-N 3.46Å; Q704-L707 VanDerWaalsContact O-N 3.14Å; L707-P710 WeakPolarHBondContact O-CD 3.41Å; L707-P710 WeakPolarHBondContact O-CG 3.28Å
708D93Very high90.9Very high119 Ų11948 Ų4864%0.63627%0.273SS*.Hα-helixtrans-68.9-35.2179.1-67.4-15.8000111.5Q704Q704-D708 PolarHBondContact NE2-OD1 3.17Å; Q704-D708 PolarHBondContact O-N 3.48Å
709D90.8Very high90.7Very high81 Ų8148.2 Ų48.243%0.43328%0.275SS..  trans-130.983.9170.6-176.113.2000112.3E705 L706 N711 S712E705-D709 PolarHBondContact O-N 3.39Å; L706-D709 CarbonylContact O-C 3.4Å; D709-N711 PolarHBondContact O-N 3.41Å; D709-N711 VanDerWaalsContact O-N 3.13Å; D709-N711 PolarHBondContact OD1-N 3.41Å; D709-S712 WeakPolarHBondContact O-CB 3.34Å; D709-S712 PolarHBondContact O-N 3.05Å
710P89.1Confident90.6Very high33 Ų3348 Ų4821%0.21427%0.274CS..THydrogen-bonded Turntrans-63.1-19.3-178.8-23.634.6000114.4A678 Q680 L706 L707 S712A678-P710 HydrophobicContact CB-CB 4.13Å; A678-P710 WeakPolarHBondContact O-CB 3.44Å; Q680-P710 VanDerWaalsContact CB-O 3.28Å; Q680-P710 WeakPolarHBondContact CB-O 3.32Å; Q680-P710 PolarHBondContact N-O 3.1Å; L706-P710 VanDerWaalsContact O-CA 3.25Å; L706-P710 WeakPolarHBondContact O-CA 3.36Å; L707-P710 WeakPolarHBondContact O-CD 3.41Å; L707-P710 WeakPolarHBondContact O-CG 3.28Å; P710-S712 VanDerWaalsContact C-N 3.34Å
711N88.5Confident90.6Very high125 Ų12547.5 Ų47.567%0.66827%0.265SS*.THydrogen-bonded Turntrans-92.33.6179.2-61.1-60000112.7Q680 D709Q680-N711 PolarHBondContact OE1-O 2.96Å; D709-N711 PolarHBondContact O-N 3.41Å; D709-N711 VanDerWaalsContact O-N 3.13Å; D709-N711 PolarHBondContact OD1-N 3.41Å
712S87.2Confident90.6Very high27 Ų2746.9 Ų46.919%0.18926%0.26CS..  trans-61.4138.1178.2176.60000111.1D709 P710 A714D709-S712 WeakPolarHBondContact O-CB 3.34Å; D709-S712 PolarHBondContact O-N 3.05Å; P710-S712 VanDerWaalsContact C-N 3.34Å; S712-A714 PolarHBondContact O-N 3.47Å; S712-A714 VanDerWaalsContact O-N 3.1Å; S712-A714 WeakPolarHBondContact OG-CB 3.03Å; S712-A714 PolarHBondContact OG-N 2.93Å
713P86.6Confident90.5Very high87 Ų8746.2 Ų46.257%0.56526%0.256SS*.G310 helixtrans-64.9-14.2173.828.8-35.4000112.5G715 C716 L717P713-G715 VanDerWaalsContact C-N 3.28Å; P713-G715 PolarHBondContact O-N 3.47Å; P713-C716 WeakPolarHBondContact O-CB 3.18Å; P713-C716 PolarHBondContact O-N 3.21Å; P713-L717 WeakPolarHBondContact O-CG 3.41Å; P713-L717 PolarHBondContact O-N 3.17Å
714A86.4Confident90.4Very high24 Ų2447.6 Ų47.620%0.19827%0.27CS..G310 helixtrans-56.3-39.9-178.100000112.7T701 L706 S712 C716 L717 T718T701-A714 HydrophobicContact CG2-CB 4.21Å; L706-A714 HydrophobicContact CD2-CB 3.88Å; S712-A714 PolarHBondContact O-N 3.47Å; S712-A714 VanDerWaalsContact O-N 3.1Å; S712-A714 WeakPolarHBondContact OG-CB 3.03Å; S712-A714 PolarHBondContact OG-N 2.93Å; A714-C716 PolarHBondContact O-N 3.37Å; A714-L717 PolarHBondContact O-N 3.03Å; A714-T718 PolarHBondContact O-N 3.12Å
715G81.6Confident90.4Very high0 Ų043.2 Ų43.20%025%0.25CS..G310 helixtrans-67.5-20.4177.900000114Q680 G681 P713 I720Q680-G715 CarbonylContact O-C 3.54Å; Q680-G715 VanDerWaalsContact O-C 3.25Å; Q680-G715 VanDerWaalsContact O-CA 3.24Å; Q680-G715 WeakPolarHBondContact O-CA 3.29Å; G681-G715 WeakPolarHBondContact CA-O 3.46Å; P713-G715 VanDerWaalsContact C-N 3.28Å; P713-G715 PolarHBondContact O-N 3.47Å; G715-I720 WeakPolarHBondContact O-CG2 3.1Å
716C85Confident90.6Very high52 Ų5237.6 Ų37.635%0.35122%0.224SC..G310 helixtrans-86.1-17172.3-680000113.5P713 A714P713-C716 WeakPolarHBondContact O-CB 3.18Å; P713-C716 PolarHBondContact O-N 3.21Å; A714-C716 PolarHBondContact O-N 3.37Å
717L87.1Confident90.8Very high132 Ų13237.7 Ų37.769%0.69122%0.224SC*.SBendtrans-971-177.6-63.9175.2000112.7P713 A714P713-L717 WeakPolarHBondContact O-CG 3.41Å; P713-L717 PolarHBondContact O-N 3.17Å; A714-L717 PolarHBondContact O-N 3.03Å
718T89.4Confident91.1Very high9 Ų936.9 Ų36.96%0.05522%0.22CC..SBendtrans-142.2169.4176.5-159.90000112.8F613 I699 A714F613-T718 VanDerWaalsContact CD2-C 3.43Å; F613-T718 WeakPolarHBondContact CD2-O 3.4Å; F613-T718 VanDerWaalsContact CE2-C 3.44Å; F613-T718 WeakPolarHBondContact CE2-O 3.35Å; I699-T718 WeakPolarHBondContact O-CB 3.33Å; I699-T718 PolarHBondContact O-OG1 2.97Å; A714-T718 PolarHBondContact O-N 3.12Å
719S93.7Very high91.3Very high5 Ų534.6 Ų34.64%0.03521%0.206CC..  trans-76.7117.9170.7-1690000109.6H609 S698 I699H609-S719 WeakPolarHBondContact CB-OG 3.34Å; H609-S719 PolarHBondContact O-OG 3.33Å; S698-S719 WeakPolarHBondContact CA-O 3.39Å; I699-S719 PolarHBondContact N-O 3.18Å
720I94.2Very high91.6Very high1 Ų132.3 Ų32.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-138.8122.9172.7171.7160.9000110.4I679 L682 R683 V696 V697 L706 G715I679-I720 HydrophobicContact CD1-CD1 3.99Å; I679-I720 HydrophobicContact CG2-CD1 3.93Å; L682-I720 HydrophobicContact CB-CG1 4.34Å; L682-I720 HydrophobicContact CD1-CD1 4.12Å; L682-I720 HydrophobicContact CD1-CG1 3.93Å; L682-I720 HydrophobicContact CG-CG1 4.2Å; R683-I720 PolarHBondContact N-O 3.09Å; V696-I720 HydrophobicContact CG1-CD1 3.76Å; V696-I720 HydrophobicContact CG1-CG1 3.81Å; V697-I720 CarbonylContact O-C 3.6Å; V697-I720 VanDerWaalsContact O-CA 3.27Å; V697-I720 WeakPolarHBondContact O-CA 3.43Å; L706-I720 HydrophobicContact CB-CD1 4.49Å; L706-I720 HydrophobicContact CD1-CD1 3.43Å; L706-I720 VanDerWaalsContact CD1-CD1 3.43Å; G715-I720 WeakPolarHBondContact O-CG2 3.1Å
721E94.1Very high91.9Very high13 Ų1330.8 Ų30.86%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-145.4156.2-172.4-43.8-165.4-172.900112.3H609 N612 R683 V697H609-E721 IonicContact CE1-OE2 3.07Å; H609-E721 PolarHBondContact CE1-OE2 3.49Å; H609-E721 IonicContact CG-OE2 3.75Å; H609-E721 IonicContact ND1-OE1 2.56Å; H609-E721 PolarHBondContact ND1-OE1 3.12Å; H609-E721 IonicContact ND1-OE2 3.09Å; H609-E721 PolarHBondContact ND1-OE2 3.11Å; N612-E721 PolarHBondContact ND2-OE1 3.42Å; R683-E721 HydrophobicContact CB-CB 4.41Å; R683-E721 HydrophobicContact CB-CG 3.92Å; R683-E721 HydrophobicContact CG-CG 4.34Å; R683-E721 VanDerWaalsContact O-CA 3.27Å; R683-E721 WeakPolarHBondContact O-CA 3.3Å; V697-E721 PolarHBondContact N-O 3.35Å; V697-E721 PolarHBondContact O-N 3.38Å
722F93.7Very high92.3Very high12 Ų1226 Ų265%0.05316%0.163CC..EExtended strand (participates in β ladder)trans-74.5121.5163-63-30.6000109.6L673 A676 K677 L682 R683 A684 Y690 V694 R695 V696L673-F722 HydrophobicContact CD1-CE2 4.08Å; L673-F722 HydrophobicContact CD1-CZ 4.1Å; A676-F722 HydrophobicContact CB-CE1 3.6Å; A676-F722 HydrophobicContact CB-CZ 4.03Å; K677-F722 HydrophobicContact CG-CE2 3.99Å; K677-F722 HydrophobicContact CG-CZ 3.82Å; L682-F722 HydrophobicContact CD1-CD1 3.93Å; L682-F722 HydrophobicContact CD1-CE1 3.43Å; L682-F722 VanDerWaalsContact CD1-CE1 3.43Å; L682-F722 HydrophobicContact CD1-CZ 4.04Å; L682-F722 HydrophobicContact CD2-CD1 4.08Å; L682-F722 HydrophobicContact CD2-CD2 4.16Å; L682-F722 HydrophobicContact CD2-CE1 3.63Å; L682-F722 HydrophobicContact CD2-CE2 3.75Å; L682-F722 HydrophobicContact CD2-CG 4.32Å; L682-F722 HydrophobicContact CD2-CZ 3.45Å; L682-F722 VanDerWaalsContact CD2-CZ 3.45Å; L682-F722 HydrophobicContact CG-CD1 4.5Å; L682-F722 HydrophobicContact CG-CE1 4.14Å; L682-F722 HydrophobicContact CG-CZ 4.41Å; R683-F722 PolarHBondContact O-N 2.68Å; R683-F722 VanDerWaalsContact O-N 3.16Å; A684-F722 HydrophobicContact CB-CD2 3.57Å; A684-F722 HydrophobicContact CB-CE2 3.85Å; Y690-F722 HydrophobicContact CD1-CB 3.55Å; Y690-F722 AromaticContact CD1-CD2 3.82Å; Y690-F722 HydrophobicContact CD1-CD2 3.82Å; Y690-F722 HydrophobicContact CD1-CG 4.01Å; Y690-F722 AromaticContact CD2-CD2 3.52Å; Y690-F722 HydrophobicContact CD2-CD2 3.52Å; Y690-F722 HydrophobicContact CD2-CE2 4.05Å; Y690-F722 HydrophobicContact CD2-CG 4.48Å; Y690-F722 HydrophobicContact CE1-CB 3.37Å; Y690-F722 AromaticContact CE1-CD2 3.95Å; Y690-F722 HydrophobicContact CE1-CD2 3.95Å; Y690-F722 HydrophobicContact CE1-CG 4.12Å; Y690-F722 AromaticContact CE2-CD2 3.64Å; Y690-F722 HydrophobicContact CE2-CD2 3.64Å; Y690-F722 HydrophobicContact CE2-CE2 4.39Å; Y690-F722 HydrophobicContact CG-CB 4.24Å; Y690-F722 AromaticContact CG-CD2 3.61Å; Y690-F722 HydrophobicContact CG-CD2 3.61Å; Y690-F722 HydrophobicContact CG-CE2 4.31Å; Y690-F722 HydrophobicContact CG-CG 4.21Å; Y690-F722 AromaticContact CZ-CD2 3.85Å; V694-F722 HydrophobicContact CG1-CD1 4Å; V694-F722 HydrophobicContact CG1-CE1 3.7Å; V694-F722 HydrophobicContact CG1-CZ 4.21Å; V694-F722 HydrophobicContact CG2-CB 4.05Å; V694-F722 HydrophobicContact CG2-CD1 3.65Å; V694-F722 HydrophobicContact CG2-CD2 4.29Å; V694-F722 HydrophobicContact CG2-CE1 4.15Å; V694-F722 HydrophobicContact CG2-CG 3.74Å; R695-F722 WeakPolarHBondContact O-CA 3.3Å; V696-F722 HydrophobicContact CG2-CD1 4.01Å; V696-F722 HydrophobicContact CG2-CE1 3.99Å
723C93.8Very high92.7Very high16 Ų1625.9 Ų25.911%0.10816%0.16CC..  trans-154.7124.2-179.9-1670000113.4H605 R695 V697 G725 H727H605-C723 PolarHBondContact NE2-SG 3.37Å; R695-C723 PolarHBondContact NH1-O 3.27Å; R695-C723 PolarHBondContact O-N 3.45Å; V697-C723 HydrophobicContact CB-CB 4.43Å; V697-C723 HydrophobicContact CG2-CB 3.94Å; C723-G725 VanDerWaalsContact C-N 3.32Å; C723-G725 PolarHBondContact SG-N 2.84Å; C723-H727 PolarHBondContact SG-NE2 3.36Å
724G92.6Very high93.1Very high31 Ų3121.8 Ų21.832%0.3213%0.133SC..  trans-85.60.8171.700000114.1Y487 Y535Y487-G724 PolarHBondContact OH-O 3.26Å; Y535-G724 WeakPolarHBondContact CE2-O 3.48Å
725G94.5Very high93.3Very high0 Ų022.2 Ų22.20%014%0.137CC..SBendtrans-69.4166.1-177.200000115.8Y487 H605 R695 C723 H727Y487-G725 WeakPolarHBondContact CE1-O 3.41Å; H605-G725 VanDerWaalsContact CE1-CA 3.43Å; H605-G725 WeakPolarHBondContact CE1-CA 3.37Å; R695-G725 PolarHBondContact NH1-O 2.9Å; C723-G725 VanDerWaalsContact C-N 3.32Å; C723-G725 PolarHBondContact SG-N 2.84Å; G725-H727 PolarHBondContact O-CD2 3.35Å; G725-H727 PolarHBondContact O-NE2 2.96Å
726T97.1Very high94Very high0 Ų024.4 Ų24.40%015%0.151CC..  trans-85.3135165.757.90000110.2Y487 Y489 Y535 Q541 M602Y487-T726 HydrophobicContact CD1-CG2 4.4Å; Y487-T726 HydrophobicContact CE1-CG2 4.46Å; Y489-T726 HydrophobicContact CE1-CG2 4.34Å; Y535-T726 HydrophobicContact CD2-CG2 4Å; Q541-T726 PolarHBondContact NE2-OG1 2.97Å; Q541-T726 VanDerWaalsContact OE1-N 3.09Å; Q541-T726 PolarHBondContact OE1-OG1 3.4Å; M602-T726 WeakPolarHBondContact CG-OG1 3.36Å
727H97.3Very high94.6Very high4 Ų422 Ų222%0.01913%0.134CC..  trans-130.9154.9-174.7-63.5-65.2000111.8Y489 M602 H605 H609 V666 C723 G725Y489-H727 VanDerWaalsContact CE2-O 3.25Å; Y489-H727 WeakPolarHBondContact CE2-O 3.35Å; Y489-H727 PolarHBondContact OH-N 2.77Å; Y489-H727 PolarHBondContact OH-O 3.29Å; M602-H727 WeakPolarHBondContact CE-O 3.28Å; H605-H727 AromaticContact CD2-CE1 3.42Å; H605-H727 PolarHBondContact CD2-CE1 3.11Å; H605-H727 VanDerWaalsContact CD2-CE1 3.42Å; H605-H727 AromaticContact CE1-CE1 3.9Å; H605-H727 AromaticContact CG-CE1 3.56Å; H605-H727 AromaticContact CG-ND1 3.84Å; H605-H727 AromaticContact ND1-CE1 3.83Å; H605-H727 AromaticContact NE2-CE1 3.65Å; H609-H727 AromaticContact CD2-CE1 3.4Å; H609-H727 PolarHBondContact CD2-CE1 3.23Å; H609-H727 VanDerWaalsContact CD2-CE1 3.4Å; H609-H727 AromaticContact CD2-ND1 3.79Å; H609-H727 AromaticContact NE2-CE1 3.01Å; H609-H727 PolarHBondContact NE2-CE1 2.99Å; H609-H727 AromaticContact NE2-ND1 3.86Å; H609-H727 AromaticContact NE2-NE2 3.72Å; V666-H727 HydrophobicContact CG1-CB 4.26Å; C723-H727 PolarHBondContact SG-NE2 3.36Å; G725-H727 PolarHBondContact O-CD2 3.35Å; G725-H727 PolarHBondContact O-NE2 2.96Å
728L97.5Very high95.1Very high3 Ų315.7 Ų15.72%0.01610%0.101CC..  trans-57.8156162.7-55.1176.4000110.6Y497 M602 T606 V666 H733 A734Y497-L728 HydrophobicContact CE2-CD2 3.99Å; Y497-L728 WeakPolarHBondContact OH-CA 3.42Å; M602-L728 HydrophobicContact CB-CD2 3.93Å; M602-L728 HydrophobicContact CB-CG 4.43Å; T606-L728 HydrophobicContact CG2-CB 4.37Å; T606-L728 HydrophobicContact CG2-CD1 4.32Å; T606-L728 PolarHBondContact OG1-N 3Å; V666-L728 WeakPolarHBondContact CB-O 3.36Å; V666-L728 WeakPolarHBondContact CG1-O 3.33Å; V666-L728 WeakPolarHBondContact CG2-O 3.36Å; L728-H733 VanDerWaalsContact CD1-C 3.5Å; L728-H733 HydrophobicContact CD1-CB 4.02Å; L728-H733 HydrophobicContact CD2-CB 4.27Å; L728-A734 VanDerWaalsContact CD1-CA 3.49Å; L728-A734 HydrophobicContact CD1-CB 3.77Å
729Q96.7Very high95.5Very high72 Ų7215.2 Ų15.234%0.33610%0.099SC..SBendtrans-90.9-12.9172.1-71.3-175.9-23.300112.4Y489 S491 Y497 P665 V666Y489-Q729 HydrophobicContact CE2-CG 4.32Å; Y489-Q729 PolarHBondContact O-NE2 2.76Å; S491-Q729 PolarHBondContact OG-OE1 2.84Å; S491-Q729 VanDerWaalsContact OG-OE1 3.13Å; Y497-Q729 HydrophobicContact CE1-CG 4.32Å; Y497-Q729 PolarHBondContact OH-N 3.32Å; P665-Q729 CarbonylContact C-O 3.57Å; P665-Q729 WeakPolarHBondContact CA-O 3.22Å; V666-Q729 PolarHBondContact N-O 3.1Å
730N97.1Very high95.7Very high33 Ų3315.5 Ų15.518%0.17610%0.1CC..BIsolated β-bridgetrans-143.6133.5175.7-171-65.8000109.6A663 K664 G732 H733A663-N730 WeakPolarHBondContact CA-OD1 3.49Å; A663-N730 WeakPolarHBondContact CB-OD1 2.92Å; A663-N730 PolarHBondContact O-ND2 3.48Å; A663-N730 PolarHBondContact O-OD1 3.02Å; K664-N730 WeakPolarHBondContact O-CA 3.4Å; N730-G732 PolarHBondContact O-N 3.42Å; N730-G732 PolarHBondContact OD1-N 3.29Å; N730-H733 WeakPolarHBondContact O-CB 3.26Å; N730-H733 PolarHBondContact O-N 2.95Å; N730-H733 VanDerWaalsContact O-N 3.14Å
731S96.6Very high95.7Very high0 Ų017 Ų170%011%0.111CC..G310 helixtrans-61.4-30.4-178.564.50000112.9M659 K664 H733 A734M659-S731 PolarHBondContact O-OG 3.38Å; K664-S731 PolarHBondContact N-OG 3.2Å; K664-S731 PolarHBondContact O-N 2.9Å; K664-S731 PolarHBondContact O-OG 3.42Å; S731-H733 PolarHBondContact O-N 3.18Å; S731-A734 VanDerWaalsContact O-CB 3.27Å; S731-A734 WeakPolarHBondContact O-CB 3.28Å; S731-A734 PolarHBondContact O-N 3.41Å; S731-A734 VanDerWaalsContact O-N 3.13Å
732G96.5Very high95.8Very high24 Ų2417.7 Ų17.725%0.24711%0.114CC..G310 helixtrans-66.5-23.3178.700000113.5I660 N730 A734 A735I660-G732 WeakPolarHBondContact O-CA 3.49Å; I660-G732 PolarHBondContact O-N 2.58Å; N730-G732 PolarHBondContact O-N 3.42Å; N730-G732 PolarHBondContact OD1-N 3.29Å; G732-A734 PolarHBondContact O-N 3.1Å; G732-A735 PolarHBondContact O-N 3.01Å; G732-A735 VanDerWaalsContact O-N 3.14Å
733H96.2Very high95.5Very high26 Ų2621.5 Ų21.512%0.1213%0.132CC..G310 helixtrans-70.4-10.7176.1-61.5174.6000112.6S491 E492 Y497 R599 L728 N730 S731 A735S491-H733 PolarHBondContact OG-CE1 3.39Å; E492-H733 PolarHBondContact O-CE1 2.91Å; Y497-H733 HydrophobicContact CE2-CB 4.28Å; Y497-H733 AromaticContact CE2-ND1 3.66Å; Y497-H733 AromaticContact CZ-ND1 3.77Å; Y497-H733 PolarHBondContact OH-ND1 3.48Å; R599-H733 PolarHBondContact NH2-O 3.19Å; L728-H733 VanDerWaalsContact CD1-C 3.5Å; L728-H733 HydrophobicContact CD1-CB 4.02Å; L728-H733 HydrophobicContact CD2-CB 4.27Å; N730-H733 WeakPolarHBondContact O-CB 3.26Å; N730-H733 PolarHBondContact O-N 2.95Å; N730-H733 VanDerWaalsContact O-N 3.14Å; S731-H733 PolarHBondContact O-N 3.18Å; H733-A735 PolarHBondContact O-N 3.31Å
734A94.3Very high95Very high0 Ų023.7 Ų23.70%015%0.151CC..G310 helixtrans-64.7-23.4171.800000111.6I660 L728 S731 G732 G757I660-A734 HydrophobicContact CD1-CB 4.08Å; I660-A734 HydrophobicContact CG1-CB 4.15Å; I660-A734 HydrophobicContact CG2-CB 4.35Å; L728-A734 VanDerWaalsContact CD1-CA 3.49Å; L728-A734 HydrophobicContact CD1-CB 3.77Å; S731-A734 VanDerWaalsContact O-CB 3.27Å; S731-A734 WeakPolarHBondContact O-CB 3.28Å; S731-A734 PolarHBondContact O-N 3.41Å; S731-A734 VanDerWaalsContact O-N 3.13Å; G732-A734 PolarHBondContact O-N 3.1Å; A734-G757 PolarHBondContact O-N 3.01Å
735A90.6Very high94Very high34 Ų3425.7 Ų25.728%0.28115%0.154SC..  trans59.8-169.8-174.600000110.6I660 G732 H733I660-A735 WeakPolarHBondContact CG2-O 3.46Å; G732-A735 PolarHBondContact O-N 3.01Å; G732-A735 VanDerWaalsContact O-N 3.14Å; H733-A735 PolarHBondContact O-N 3.31Å
736P95.4Very high92.7Very high46 Ų4626.7 Ų26.730%0.29916%0.162SC..  trans-54.8149.3-173.5-28.336.4000113.2T756 G757 A760 Q761P736-T756 CarbonylContact O-C 3.53Å; P736-T756 WeakPolarHBondContact O-CA 3.13Å; P736-G757 PolarHBondContact O-N 3.45Å; P736-A760 VanDerWaalsContact C-CB 3.49Å; P736-A760 HydrophobicContact CB-CB 3.9Å; P736-A760 WeakPolarHBondContact O-CB 3.38Å; P736-Q761 HydrophobicContact CG-CG 3.9Å
737F98Very high91Very high0 Ų028.6 Ų28.60%017%0.17CC..EExtended strand (participates in β ladder)trans-127.2136.4-179.1170.5-89.4000109.7A607 L611 L634 E653 A656 I660 I739 A754 V755 T756A607-F737 HydrophobicContact CB-CD2 3.98Å; A607-F737 HydrophobicContact CB-CE2 4.22Å; L611-F737 HydrophobicContact CB-CZ 4.24Å; L611-F737 HydrophobicContact CD1-CZ 4.14Å; L611-F737 HydrophobicContact CD2-CZ 4.41Å; L611-F737 HydrophobicContact CG-CZ 4.49Å; L634-F737 HydrophobicContact CD2-CE2 4.18Å; E653-F737 HydrophobicContact CG-CD1 4.32Å; A656-F737 HydrophobicContact CB-CD1 3.74Å; A656-F737 HydrophobicContact CB-CE1 3.69Å; A656-F737 HydrophobicContact CB-CG 4.44Å; A656-F737 HydrophobicContact CB-CZ 4.36Å; I660-F737 HydrophobicContact CD1-CB 3.47Å; I660-F737 VanDerWaalsContact CD1-CB 3.47Å; I660-F737 HydrophobicContact CD1-CG 4.24Å; F737-I739 HydrophobicContact CE1-CD1 4.25Å; F737-I739 HydrophobicContact CE1-CG1 3.64Å; F737-I739 HydrophobicContact CZ-CG1 3.95Å; F737-A754 HydrophobicContact CD2-CB 4.4Å; F737-A754 HydrophobicContact CE1-CB 4.49Å; F737-A754 HydrophobicContact CE2-CB 3.52Å; F737-A754 HydrophobicContact CZ-CB 3.56Å; F737-V755 WeakPolarHBondContact CA-O 3.44Å; F737-T756 HydrophobicContact CD2-CG2 3.97Å
738V98.4Very high90Very high0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-140.2128.8-178.9171.10000110.5V740 A754 V755 A760 A763 S808V738-V740 HydrophobicContact CG1-CG1 3.92Å; V738-V740 PolarHBondContact O-N 3.14Å; V738-A754 CarbonylContact O-C 3.53Å; V738-A754 WeakPolarHBondContact O-CA 3.27Å; V738-A754 VanDerWaalsContact O-CB 3.3Å; V738-A754 WeakPolarHBondContact O-CB 3.45Å; V738-V755 HydrophobicContact CB-CG2 4.05Å; V738-V755 PolarHBondContact N-O 3.32Å; V738-V755 PolarHBondContact O-N 2.93Å; V738-A760 HydrophobicContact CB-CB 4.35Å; V738-A760 HydrophobicContact CG2-CB 4.01Å; V738-A763 HydrophobicContact CB-CB 4.47Å; V738-A763 HydrophobicContact CG1-CB 4.19Å; V738-A763 HydrophobicContact CG2-CB 4.32Å; V738-S808 WeakPolarHBondContact CG1-OG 3.49Å
739I98.5Very high89.3Confident0 Ų031.6 Ų31.60%019%0.194CC..EExtended strand (participates in β ladder)trans-81.9108.6168.1-61.4177.5000107.9L611 I649 T652 E653 F737 I752 A754 S808 Q809L611-I739 HydrophobicContact CD1-CD1 4.22Å; I649-I739 HydrophobicContact CG2-CB 4.49Å; I649-I739 HydrophobicContact CG2-CD1 4.45Å; I649-I739 HydrophobicContact CG2-CG2 4.12Å; T652-I739 HydrophobicContact CG2-CD1 4.02Å; E653-I739 HydrophobicContact CB-CD1 4Å; E653-I739 HydrophobicContact CB-CG1 4.3Å; E653-I739 PolarHBondContact OE2-N 3.39Å; F737-I739 HydrophobicContact CE1-CD1 4.25Å; F737-I739 HydrophobicContact CE1-CG1 3.64Å; F737-I739 HydrophobicContact CZ-CG1 3.95Å; I739-I752 HydrophobicContact CD1-CD1 4.46Å; I739-I752 HydrophobicContact CG1-CG2 4.33Å; I739-I752 HydrophobicContact CG2-CG1 4.37Å; I739-I752 HydrophobicContact CG2-CG2 3.92Å; I739-A754 HydrophobicContact CG1-CB 4.48Å; I739-S808 CarbonylContact O-C 3.55Å; I739-S808 WeakPolarHBondContact O-CA 3.21Å; I739-Q809 HydrophobicContact CG2-CB 4.44Å; I739-Q809 PolarHBondContact O-N 3.47Å
740V96.6Very high89Confident11 Ų1129.8 Ų29.87%0.06718%0.184CC..EExtended strand (participates in β ladder)trans-89.4-25.4-174.4-66.10000113.6V738 V753 V755 Q809V738-V740 HydrophobicContact CG1-CG1 3.92Å; V738-V740 PolarHBondContact O-N 3.14Å; V740-V753 HydrophobicContact CG2-CB 3.9Å; V740-V753 HydrophobicContact CG2-CG1 3.71Å; V740-V753 WeakPolarHBondContact CG2-O 3.49Å; V740-V753 PolarHBondContact N-O 3.48Å; V740-V755 HydrophobicContact CG1-CG1 4.29Å; V740-V755 HydrophobicContact CG1-CG2 3.84Å; V740-Q809 PolarHBondContact O-OE1 3.36Å
741S94.9Very high88.8Confident32 Ų3230.5 Ų30.522%0.22419%0.185CC..EExtended strand (participates in β ladder)trans-155.2154.6175.664.80000112.6I752 V753S741-I752 WeakPolarHBondContact O-CA 3.5Å; S741-V753 PolarHBondContact N-O 3.42Å; S741-V753 PolarHBondContact O-N 2.93Å; S741-V753 VanDerWaalsContact O-N 3.09Å; S741-V753 WeakPolarHBondContact OG-CB 3.24Å
742E94.8Very high88.9Confident27 Ų2730.5 Ų30.513%0.12619%0.185CC..EExtended strand (participates in β ladder)trans-136.2127.4170.6-170.2-78.9155.700107.6L644 I649 R750 R751 I752L644-E742 HydrophobicContact CB-CG 4.34Å; L644-E742 HydrophobicContact CD1-CG 4.48Å; I649-E742 HydrophobicContact CD1-CB 3.86Å; I649-E742 HydrophobicContact CD1-CG 4.22Å; E742-R750 IonicContact OE1-CZ 2.72Å; E742-R750 IonicContact OE1-NE 3.03Å; E742-R750 PolarHBondContact OE1-NE 2.84Å; E742-R750 IonicContact OE1-NH2 3.91Å; E742-R750 PolarHBondContact OE1-NH2 3.36Å; E742-R750 IonicContact OE2-CZ 3.76Å; E742-R750 IonicContact OE2-NH2 3.09Å; E742-R750 PolarHBondContact OE2-NH2 3.42Å; E742-R751 CarbonylContact C-O 3.6Å; E742-R751 VanDerWaalsContact CA-O 3.28Å; E742-R751 WeakPolarHBondContact CA-O 3.29Å; E742-I752 HydrophobicContact CB-CG1 4.32Å; E742-I752 HydrophobicContact CG-CG1 4.05Å
743E88.4Confident88.9Confident93 Ų9330.5 Ų30.544%0.43518%0.18SC..EExtended strand (participates in β ladder)trans-149.1161.6-174.965.8-176.8-175.700113.7R750 R751E743-R750 CarbonylContact O-C 3.56Å; E743-R750 WeakPolarHBondContact O-CA 3.44Å; E743-R750 PolarHBondContact O-NE 3.36Å; E743-R751 HydrophobicContact CG-CB 3.94Å; E743-R751 HydrophobicContact CG-CG 4.46Å; E743-R751 PolarHBondContact N-O 2.9Å; E743-R751 PolarHBondContact O-N 3.13Å
744A82.4Confident88.9Confident62 Ų6229.2 Ų29.251%0.51217%0.174SC..EExtended strand (participates in β ladder)trans-83.6129.5172.600000109.7
745I73.2Confident89.1Confident73 Ų7330 Ų3037%0.37418%0.178SC..EExtended strand (participates in β ladder)trans-93.2-53167-54.4172.2000109.4D637 I749 R751D637-I745 HydrophobicContact CB-CD1 3.97Å; D637-I745 WeakPolarHBondContact OD1-CD1 3.39Å; D637-I745 WeakPolarHBondContact OD2-CD1 3.5Å; I745-I749 HydrophobicContact CD1-CG2 4.16Å; I745-I749 PolarHBondContact N-O 3.25Å; I745-I749 VanDerWaalsContact N-O 3.16Å; I745-R751 HydrophobicContact CD1-CB 3.82Å; I745-R751 VanDerWaalsContact CD1-CZ 3.42Å; I745-R751 VanDerWaalsContact CD1-NH2 3.35Å; I745-R751 HydrophobicContact CG1-CB 3.73Å
746A67.3Low89.4Confident21 Ų2128.9 Ų28.917%0.17417%0.168CC..EExtended strand (participates in β ladder)trans-146.2171.6-176.500000108.7G748 I749A746-G748 PolarHBondContact O-N 3.28Å; A746-I749 HydrophobicContact CB-CB 4.45Å; A746-I749 PolarHBondContact O-N 3.04Å
747K60Low89.3Confident39 Ų3927.3 Ų27.317%0.1716%0.16CC..THydrogen-bonded Turntrans-62.4123.2179.7-168.4179.8-173.4179.10110.8E377 E378 I749E377-K747 VanDerWaalsContact CB-NZ 3.34Å; E377-K747 VanDerWaalsContact CG-NZ 3.33Å; E377-K747 WeakPolarHBondContact OE1-CE 3.35Å; E377-K747 IonicContact OE1-NZ 2.73Å; E377-K747 WeakPolarHBondContact OE2-CE 3.25Å; E377-K747 IonicContact OE2-NZ 3.57Å; E377-K747 PolarHBondContact OE2-NZ 3.45Å; E378-K747 VanDerWaalsContact OE1-CD 3.25Å; E378-K747 WeakPolarHBondContact OE1-CD 3.49Å; E378-K747 IonicContact OE1-NZ 2.83Å; E378-K747 PolarHBondContact OE1-NZ 3.24Å; K747-I749 VanDerWaalsContact C-N 3.27Å; K747-I749 PolarHBondContact O-N 3.04Å
748G76.4Confident88.8Confident34 Ų3430.2 Ų30.235%0.35118%0.184SC..THydrogen-bonded Turntrans77.72.1-176.900000115.3T639 A640 A746T639-G748 WeakPolarHBondContact CA-O 3.39Å; A640-G748 PolarHBondContact N-O 3.49Å; A640-G748 CarbonylContact O-C 3.59Å; A640-G748 WeakPolarHBondContact O-CA 3.41Å; A746-G748 PolarHBondContact O-N 3.28Å
749I82.6Confident88.4Confident37 Ų3733.8 Ų33.819%0.1920%0.201CC..EExtended strand (participates in β ladder)trans-123.1122.4179.7-54.2178.7000109.8R625 D637 F638 I745 A746 K747R625-I749 HydrophobicContact CB-CG2 4.32Å; R625-I749 HydrophobicContact CG-CD1 4.44Å; D637-I749 HydrophobicContact CB-CG2 4.45Å; F638-I749 WeakPolarHBondContact O-CA 3.42Å; I745-I749 HydrophobicContact CD1-CG2 4.16Å; I745-I749 PolarHBondContact N-O 3.25Å; I745-I749 VanDerWaalsContact N-O 3.16Å; A746-I749 HydrophobicContact CB-CB 4.45Å; A746-I749 PolarHBondContact O-N 3.04Å; K747-I749 VanDerWaalsContact C-N 3.27Å; K747-I749 PolarHBondContact O-N 3.04Å
750R91.2Very high88.3Confident33 Ų3333.8 Ų33.813%0.12520%0.201CC..EExtended strand (participates in β ladder)trans-113153.8179.1-55.5-59.5-66-173-0.6110.1D637 F638 A640 A643 E742 E743D637-R750 CarbonylContact C-O 3.58Å; D637-R750 VanDerWaalsContact CA-O 3.31Å; D637-R750 WeakPolarHBondContact CA-O 3.27Å; F638-R750 HydrophobicContact CD1-CB 4.46Å; F638-R750 WeakPolarHBondContact CD1-O 3.36Å; F638-R750 HydrophobicContact CE1-CB 3.9Å; F638-R750 HydrophobicContact CE2-CB 4.16Å; F638-R750 HydrophobicContact CZ-CB 3.74Å; F638-R750 PolarHBondContact N-O 3.28Å; F638-R750 PolarHBondContact O-N 2.77Å; A640-R750 HydrophobicContact CB-CG 3.75Å; A643-R750 VanDerWaalsContact CB-NH2 3.33Å; E742-R750 IonicContact OE1-CZ 2.72Å; E742-R750 IonicContact OE1-NE 3.03Å; E742-R750 PolarHBondContact OE1-NE 2.84Å; E742-R750 IonicContact OE1-NH2 3.91Å; E742-R750 PolarHBondContact OE1-NH2 3.36Å; E742-R750 IonicContact OE2-CZ 3.76Å; E742-R750 IonicContact OE2-NH2 3.09Å; E742-R750 PolarHBondContact OE2-NH2 3.42Å; E743-R750 CarbonylContact O-C 3.56Å; E743-R750 WeakPolarHBondContact O-CA 3.44Å; E743-R750 PolarHBondContact O-NE 3.36Å
751R92.8Very high88.2Confident49 Ų4937.3 Ų37.319%0.18522%0.217CC..EExtended strand (participates in β ladder)trans-119.5132177179.4163.5-78.2168.8-0.5109.7R635 F636 D637 E742 E743 I745 V753R635-R751 VanDerWaalsContact CD-CZ 3.49Å; R635-R751 VanDerWaalsContact CD-NE 3.33Å; R635-R751 HydrophobicContact CG-CG 3.85Å; F636-R751 WeakPolarHBondContact O-CA 3.43Å; D637-R751 WeakPolarHBondContact OD1-CG 3.29Å; D637-R751 IonicContact OD1-CZ 3.13Å; D637-R751 IonicContact OD1-NE 3.86Å; D637-R751 PolarHBondContact OD1-NE 3Å; D637-R751 IonicContact OD1-NH2 3.47Å; D637-R751 PolarHBondContact OD1-NH2 3.35Å; D637-R751 IonicContact OD2-CZ 2.68Å; D637-R751 IonicContact OD2-NE 3.57Å; D637-R751 IonicContact OD2-NH2 2.78Å; D637-R751 PolarHBondContact OD2-NH2 2.87Å; E742-R751 CarbonylContact C-O 3.6Å; E742-R751 VanDerWaalsContact CA-O 3.28Å; E742-R751 WeakPolarHBondContact CA-O 3.29Å; E743-R751 HydrophobicContact CG-CB 3.94Å; E743-R751 HydrophobicContact CG-CG 4.46Å; E743-R751 PolarHBondContact N-O 2.9Å; E743-R751 PolarHBondContact O-N 3.13Å; I745-R751 HydrophobicContact CD1-CB 3.82Å; I745-R751 VanDerWaalsContact CD1-CZ 3.42Å; I745-R751 VanDerWaalsContact CD1-NH2 3.35Å; I745-R751 HydrophobicContact CG1-CB 3.73Å; R751-V753 HydrophobicContact CG-CG2 4.29Å
752I97.7Very high88Confident0 Ų041.5 Ų41.50%023%0.231CC..EExtended strand (participates in β ladder)trans-107.6134.9161.3-81.1167000108.8L611 L615 R635 F636 F638 L644 I739 S741 E742 A754L611-I752 HydrophobicContact CD1-CD1 4.38Å; L611-I752 HydrophobicContact CD1-CG2 4.5Å; L611-I752 HydrophobicContact CD2-CB 4.37Å; L611-I752 HydrophobicContact CD2-CG2 3.67Å; L615-I752 HydrophobicContact CD1-CD1 4.16Å; L615-I752 HydrophobicContact CD2-CD1 3.72Å; L615-I752 HydrophobicContact CG-CD1 4.37Å; R635-I752 CarbonylContact C-O 3.56Å; R635-I752 WeakPolarHBondContact CA-O 3.44Å; F636-I752 PolarHBondContact N-O 2.96Å; F636-I752 PolarHBondContact O-N 3.01Å; F638-I752 HydrophobicContact CE1-CB 4.33Å; F638-I752 HydrophobicContact CE1-CD1 3.73Å; F638-I752 HydrophobicContact CE1-CG1 3.86Å; F638-I752 HydrophobicContact CZ-CD1 3.95Å; F638-I752 HydrophobicContact CZ-CG1 4.37Å; L644-I752 HydrophobicContact CD2-CD1 4.43Å; I739-I752 HydrophobicContact CD1-CD1 4.46Å; I739-I752 HydrophobicContact CG1-CG2 4.33Å; I739-I752 HydrophobicContact CG2-CG1 4.37Å; I739-I752 HydrophobicContact CG2-CG2 3.92Å; S741-I752 WeakPolarHBondContact O-CA 3.5Å; E742-I752 HydrophobicContact CB-CG1 4.32Å; E742-I752 HydrophobicContact CG-CG1 4.05Å; I752-A754 HydrophobicContact CG2-CB 4.3Å
753V96.4Very high88Confident23 Ų2340.4 Ų40.414%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-108.6130.2162.1-175.90000107.5R633 L634 R635 V740 S741 R751R633-V753 HydrophobicContact CB-CG1 4.31Å; L634-V753 WeakPolarHBondContact O-CA 3.48Å; R635-V753 HydrophobicContact CG-CG2 4.45Å; V740-V753 HydrophobicContact CG2-CB 3.9Å; V740-V753 HydrophobicContact CG2-CG1 3.71Å; V740-V753 WeakPolarHBondContact CG2-O 3.49Å; V740-V753 PolarHBondContact N-O 3.48Å; S741-V753 PolarHBondContact N-O 3.42Å; S741-V753 PolarHBondContact O-N 2.93Å; S741-V753 VanDerWaalsContact O-N 3.09Å; S741-V753 WeakPolarHBondContact OG-CB 3.24Å; R751-V753 HydrophobicContact CG-CG2 4.29Å
754A97.9Very high88.3Confident0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-134160.2177.500000111.2R633 L634 F737 V738 I739 I752R633-A754 WeakPolarHBondContact CA-O 3.44Å; L634-A754 HydrophobicContact CD1-CB 3.88Å; L634-A754 HydrophobicContact CD2-CB 4.36Å; L634-A754 HydrophobicContact CG-CB 3.97Å; L634-A754 PolarHBondContact N-O 2.83Å; L634-A754 PolarHBondContact O-N 3.17Å; F737-A754 HydrophobicContact CD2-CB 4.4Å; F737-A754 HydrophobicContact CE1-CB 4.49Å; F737-A754 HydrophobicContact CE2-CB 3.52Å; F737-A754 HydrophobicContact CZ-CB 3.56Å; V738-A754 CarbonylContact O-C 3.53Å; V738-A754 WeakPolarHBondContact O-CA 3.27Å; V738-A754 VanDerWaalsContact O-CB 3.3Å; V738-A754 WeakPolarHBondContact O-CB 3.45Å; I739-A754 HydrophobicContact CG1-CB 4.48Å; I752-A754 HydrophobicContact CG2-CB 4.3Å
755V97.2Very high88.9Confident16 Ų1644.5 Ų44.510%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-130.8150.8179.3-62.30000109.8R633 F737 V738 V740 E759 A760R633-V755 HydrophobicContact CB-CG1 4.16Å; F737-V755 WeakPolarHBondContact CA-O 3.44Å; V738-V755 HydrophobicContact CB-CG2 4.05Å; V738-V755 PolarHBondContact N-O 3.32Å; V738-V755 PolarHBondContact O-N 2.93Å; V740-V755 HydrophobicContact CG1-CG1 4.29Å; V740-V755 HydrophobicContact CG1-CG2 3.84Å; V755-E759 HydrophobicContact CB-CB 3.85Å; V755-E759 HydrophobicContact CG1-CB 4.26Å; V755-E759 HydrophobicContact CG2-CB 4.22Å; V755-A760 HydrophobicContact CG2-CB 4.16Å
756T97.2Very high89.9Confident11 Ų1145.9 Ų45.97%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-120.7173.4176.465.10000111.9S603 N604 A607 P736 F737 A758 E759 A760S603-T756 WeakPolarHBondContact CB-OG1 3.38Å; N604-T756 WeakPolarHBondContact OD1-CB 3.44Å; N604-T756 VanDerWaalsContact OD1-CG2 3.28Å; N604-T756 WeakPolarHBondContact OD1-CG2 3.29Å; N604-T756 PolarHBondContact OD1-OG1 3.36Å; A607-T756 HydrophobicContact CB-CG2 3.51Å; P736-T756 CarbonylContact O-C 3.53Å; P736-T756 WeakPolarHBondContact O-CA 3.13Å; F737-T756 HydrophobicContact CD2-CG2 3.97Å; T756-A758 PolarHBondContact O-N 2.94Å; T756-E759 PolarHBondContact O-N 3.22Å; T756-A760 PolarHBondContact O-N 2.85Å
757G92.9Very high91.2Very high13 Ų1344.9 Ų44.913%0.13422%0.222CC..Hα-helixtrans54.9-126.2168.400000114.8A734 P736 E759 A760 Q761A734-G757 PolarHBondContact O-N 3.01Å; P736-G757 PolarHBondContact O-N 3.45Å; G757-E759 VanDerWaalsContact C-N 3.33Å; G757-E759 PolarHBondContact O-N 3.06Å; G757-A760 PolarHBondContact O-N 3.2Å; G757-Q761 WeakPolarHBondContact O-CG 3.27Å; G757-Q761 PolarHBondContact O-N 2.63Å
758A88.6Confident92.9Very high61 Ų6147.2 Ų47.250%0.50424%0.236SC..Hα-helixtrans-62.6-37.9-174.800000112.7T756 Q761 K762T756-A758 PolarHBondContact O-N 2.94Å; A758-Q761 PolarHBondContact O-N 2.98Å; A758-K762 WeakPolarHBondContact O-CG 3.34Å; A758-K762 PolarHBondContact O-N 2.94Å
759E90.3Very high93.8Very high75 Ų7547.9 Ų47.935%0.3524%0.239SC..Hα-helixtrans-69.4-40178.6-64.3-47.6120.500111.5V755 T756 G757 Q761 K762 A763V755-E759 HydrophobicContact CB-CB 3.85Å; V755-E759 HydrophobicContact CG1-CB 4.26Å; V755-E759 HydrophobicContact CG2-CB 4.22Å; T756-E759 PolarHBondContact O-N 3.22Å; G757-E759 VanDerWaalsContact C-N 3.33Å; G757-E759 PolarHBondContact O-N 3.06Å; E759-Q761 PolarHBondContact O-N 3.04Å; E759-K762 WeakPolarHBondContact O-CB 3.48Å; E759-K762 PolarHBondContact O-N 3.15Å; E759-K762 IonicContact OE1-NZ 2.75Å; E759-K762 PolarHBondContact OE1-NZ 3.03Å; E759-K762 IonicContact OE2-NZ 3.65Å; E759-A763 PolarHBondContact O-N 3.07Å
760A95.4Very high94.4Very high0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-64-38.8172.300000112.6P736 V738 V755 T756 G757 A763 H764P736-A760 VanDerWaalsContact C-CB 3.49Å; P736-A760 HydrophobicContact CB-CB 3.9Å; P736-A760 WeakPolarHBondContact O-CB 3.38Å; V738-A760 HydrophobicContact CB-CB 4.35Å; V738-A760 HydrophobicContact CG2-CB 4.01Å; V755-A760 HydrophobicContact CG2-CB 4.16Å; T756-A760 PolarHBondContact O-N 2.85Å; G757-A760 PolarHBondContact O-N 3.2Å; A760-A763 WeakPolarHBondContact O-CB 3.16Å; A760-A763 PolarHBondContact O-N 2.72Å; A760-H764 PolarHBondContact O-CD2 3.33Å; A760-H764 VanDerWaalsContact O-CD2 3.29Å; A760-H764 PolarHBondContact O-N 3.02Å
761Q94.3Very high94.6Very high85 Ų8549 Ų4940%0.39724%0.241SC..Hα-helixtrans-63.9-40.4174.1-72.3176.71800112.4P736 G757 A758 E759 A763 H764 R765P736-Q761 HydrophobicContact CG-CG 3.9Å; G757-Q761 WeakPolarHBondContact O-CG 3.27Å; G757-Q761 PolarHBondContact O-N 2.63Å; A758-Q761 PolarHBondContact O-N 2.98Å; E759-Q761 PolarHBondContact O-N 3.04Å; Q761-A763 VanDerWaalsContact C-N 3.33Å; Q761-H764 PolarHBondContact O-N 3.28Å; Q761-R765 WeakPolarHBondContact O-CG 3.35Å; Q761-R765 PolarHBondContact O-N 3.08Å
762K91.4Very high94.8Very high120 Ų12052.8 Ų52.852%0.52227%0.265SS..Hα-helixtrans-61-43.7173.2-72.1170.5-174.9170.50110.8A758 E759 R765 K766A758-K762 WeakPolarHBondContact O-CG 3.34Å; A758-K762 PolarHBondContact O-N 2.94Å; E759-K762 WeakPolarHBondContact O-CB 3.48Å; E759-K762 PolarHBondContact O-N 3.15Å; E759-K762 IonicContact OE1-NZ 2.75Å; E759-K762 PolarHBondContact OE1-NZ 3.03Å; E759-K762 IonicContact OE2-NZ 3.65Å; K762-R765 PolarHBondContact O-N 3.29Å; K762-K766 WeakPolarHBondContact O-CB 3.2Å; K762-K766 PolarHBondContact O-N 3.26Å
763A94.5Very high94.6Very high4 Ų455.5 Ų55.53%0.03328%0.283CS..Hα-helixtrans-58.9-47.1176.300000112V738 E759 A760 Q761 K766 A767 L806 I807V738-A763 HydrophobicContact CB-CB 4.47Å; V738-A763 HydrophobicContact CG1-CB 4.19Å; V738-A763 HydrophobicContact CG2-CB 4.32Å; E759-A763 PolarHBondContact O-N 3.07Å; A760-A763 WeakPolarHBondContact O-CB 3.16Å; A760-A763 PolarHBondContact O-N 2.72Å; Q761-A763 VanDerWaalsContact C-N 3.33Å; A763-K766 PolarHBondContact O-N 3.23Å; A763-A767 WeakPolarHBondContact O-CB 3.43Å; A763-A767 PolarHBondContact O-N 3.28Å; A763-L806 WeakPolarHBondContact CA-O 3.41Å; A763-L806 VanDerWaalsContact CB-O 3.29Å; A763-L806 WeakPolarHBondContact CB-O 3.4Å; A763-I807 WeakPolarHBondContact O-CG2 3.25Å
764H95.6Very high94.6Very high59 Ų5955 Ų5527%0.27328%0.28SS..Hα-helixtrans-61.1-49.3176-74-49.6000113A760 Q761 K766 A767 D768A760-H764 PolarHBondContact O-CD2 3.33Å; A760-H764 VanDerWaalsContact O-CD2 3.29Å; A760-H764 PolarHBondContact O-N 3.02Å; Q761-H764 PolarHBondContact O-N 3.28Å; H764-K766 PolarHBondContact O-N 3.02Å; H764-A767 WeakPolarHBondContact O-CB 3.26Å; H764-A767 PolarHBondContact O-N 2.88Å; H764-A767 VanDerWaalsContact O-N 3.09Å; H764-D768 PolarHBondContact O-N 2.98Å
765R94.7Very high94.5Very high181 Ų18158.4 Ų58.468%0.68330%0.304SS*.Hα-helixtrans-58.3-39.1178.1-70.8178.1-172.7175.94.9111.9Q761 K762 A769Q761-R765 WeakPolarHBondContact O-CG 3.35Å; Q761-R765 PolarHBondContact O-N 3.08Å; K762-R765 PolarHBondContact O-N 3.29Å; R765-A769 PolarHBondContact O-N 3.3Å; R765-A769 VanDerWaalsContact O-N 3.14Å
766K93.6Very high94.4Very high102 Ų10260.1 Ų60.144%0.44332%0.319SS..Hα-helixtrans-67.6-42176.8-174.664.4178.1-175.20111.5K762 A763 H764 A769 L770 I807K762-K766 WeakPolarHBondContact O-CB 3.2Å; K762-K766 PolarHBondContact O-N 3.26Å; A763-K766 PolarHBondContact O-N 3.23Å; H764-K766 PolarHBondContact O-N 3.02Å; K766-A769 PolarHBondContact O-N 2.99Å; K766-L770 HydrophobicContact CG-CD1 4.12Å; K766-L770 WeakPolarHBondContact O-CB 3.42Å; K766-L770 VanDerWaalsContact O-CG 3.31Å; K766-L770 WeakPolarHBondContact O-CG 3.09Å; K766-L770 PolarHBondContact O-N 3.34Å; K766-I807 HydrophobicContact CB-CG2 4Å; K766-I807 HydrophobicContact CG-CG2 3.98Å
767A95.6Very high94.3Very high0 Ų059.8 Ų59.80%032%0.318CS..Hα-helixtrans-60.9-43.8176.400000111.8A763 H764 L770 R771 I807 M815A763-A767 WeakPolarHBondContact O-CB 3.43Å; A763-A767 PolarHBondContact O-N 3.28Å; H764-A767 WeakPolarHBondContact O-CB 3.26Å; H764-A767 PolarHBondContact O-N 2.88Å; H764-A767 VanDerWaalsContact O-N 3.09Å; A767-L770 PolarHBondContact O-N 2.77Å; A767-R771 WeakPolarHBondContact O-CG 3.45Å; A767-R771 PolarHBondContact O-N 3.29Å; A767-I807 HydrophobicContact CB-CB 4.1Å; A767-I807 HydrophobicContact CB-CG2 3.93Å; A767-M815 HydrophobicContact CB-CE 4.45Å
768D95.7Very high94.4Very high88 Ų8859.6 Ų59.647%0.47132%0.315SS..Hα-helixtrans-64-43.9178.4-68.2-23.2000111.9H764 L770 R771 L772H764-D768 PolarHBondContact O-N 2.98Å; D768-L770 VanDerWaalsContact C-N 3.33Å; D768-L770 PolarHBondContact O-N 3.48Å; D768-R771 PolarHBondContact O-N 3.49Å; D768-L772 WeakPolarHBondContact O-CG 3.47Å; D768-L772 PolarHBondContact O-N 3.32Å
769A94.1Very high94.7Very high49 Ų4960 Ų6041%0.40531%0.309SS..Hα-helixtrans-61.9-40.3175.500000112.5R765 K766 S773R765-A769 PolarHBondContact O-N 3.3Å; R765-A769 VanDerWaalsContact O-N 3.14Å; K766-A769 PolarHBondContact O-N 2.99Å; A769-S773 WeakPolarHBondContact O-CB 3.31Å; A769-S773 PolarHBondContact O-N 2.98Å; A769-S773 VanDerWaalsContact O-N 3.08Å; A769-S773 PolarHBondContact O-OG 2.97Å
770L95.5Very high94.8Very high7 Ų760.4 Ų60.44%0.03731%0.309CS..Hα-helixtrans-67.5-40.5175.8-73.3170.5000111.6K766 A767 D768 S773 L774 M798 I802 A805 I807 M815K766-L770 HydrophobicContact CG-CD1 4.12Å; K766-L770 WeakPolarHBondContact O-CB 3.42Å; K766-L770 VanDerWaalsContact O-CG 3.31Å; K766-L770 WeakPolarHBondContact O-CG 3.09Å; K766-L770 PolarHBondContact O-N 3.34Å; A767-L770 PolarHBondContact O-N 2.77Å; D768-L770 VanDerWaalsContact C-N 3.33Å; D768-L770 PolarHBondContact O-N 3.48Å; L770-S773 PolarHBondContact O-N 3.36Å; L770-L774 VanDerWaalsContact O-CB 3.25Å; L770-L774 WeakPolarHBondContact O-CB 3.4Å; L770-L774 PolarHBondContact O-N 2.99Å; L770-M798 HydrophobicContact CD2-SD 4.18Å; L770-I802 HydrophobicContact CD1-CG1 4.32Å; L770-I802 HydrophobicContact CD2-CG1 4.13Å; L770-A805 HydrophobicContact CD1-CB 3.79Å; L770-I807 HydrophobicContact CD1-CD1 4.16Å; L770-I807 HydrophobicContact CD1-CG2 4.45Å; L770-M815 HydrophobicContact CB-SD 4.1Å
771R95.9Very high94.7Very high85 Ų8560.5 Ų60.532%0.32131%0.31SS..Hα-helixtrans-60.7-45.8175.2-78.9-174.7170.4136.1-3.1112.3A767 D768 S773 L774 S775 Q811 M815A767-R771 WeakPolarHBondContact O-CG 3.45Å; A767-R771 PolarHBondContact O-N 3.29Å; D768-R771 PolarHBondContact O-N 3.49Å; R771-S773 VanDerWaalsContact C-N 3.33Å; R771-S773 PolarHBondContact O-N 3.3Å; R771-L774 PolarHBondContact O-N 3.42Å; R771-S775 WeakPolarHBondContact O-CB 3.43Å; R771-S775 PolarHBondContact O-N 2.75Å; R771-Q811 VanDerWaalsContact NH1-NE2 3.13Å; R771-Q811 VanDerWaalsContact NH2-CD 3.27Å; R771-Q811 VanDerWaalsContact NH2-CG 3.34Å; R771-M815 HydrophobicContact CG-CE 3.43Å; R771-M815 VanDerWaalsContact CG-CE 3.43Å; R771-M815 HydrophobicContact CG-SD 4.38Å
772L95.6Very high94.6Very high130 Ų13064 Ų6468%0.68132%0.324SS*.Hα-helixtrans-60.3-45.4176.5-72.7169.7000111.2D768 L774 S775 A776D768-L772 WeakPolarHBondContact O-CG 3.47Å; D768-L772 PolarHBondContact O-N 3.32Å; L772-L774 PolarHBondContact O-N 2.72Å; L772-S775 PolarHBondContact O-N 2.82Å; L772-A776 PolarHBondContact O-N 3.24Å
773S95Very high94.6Very high56 Ų5665.2 Ų65.239%0.39233%0.331SS..Hα-helixtrans-64.7-40.6178.7-540000112.1A769 L770 R771 A776 L777A769-S773 WeakPolarHBondContact O-CB 3.31Å; A769-S773 PolarHBondContact O-N 2.98Å; A769-S773 VanDerWaalsContact O-N 3.08Å; A769-S773 PolarHBondContact O-OG 2.97Å; L770-S773 PolarHBondContact O-N 3.36Å; R771-S773 VanDerWaalsContact C-N 3.33Å; R771-S773 PolarHBondContact O-N 3.3Å; S773-A776 PolarHBondContact O-N 2.84Å; S773-L777 WeakPolarHBondContact O-CB 3.41Å; S773-L777 PolarHBondContact O-N 2.67Å
774L96.1Very high94.4Very high12 Ų1267 Ų676%0.06334%0.339CS..Hα-helixtrans-66.5-39.7176.6-179.660.4000112L770 R771 L772 L777 G778 M815 T818 L819 L822L770-L774 VanDerWaalsContact O-CB 3.25Å; L770-L774 WeakPolarHBondContact O-CB 3.4Å; L770-L774 PolarHBondContact O-N 2.99Å; R771-L774 PolarHBondContact O-N 3.42Å; L772-L774 PolarHBondContact O-N 2.72Å; L774-L777 PolarHBondContact O-N 2.82Å; L774-G778 PolarHBondContact O-N 3.16Å; L774-M815 HydrophobicContact CD2-CB 3.83Å; L774-M815 HydrophobicContact CD2-CG 3.81Å; L774-T818 HydrophobicContact CD1-CG2 4.29Å; L774-T818 HydrophobicContact CD2-CG2 4Å; L774-T818 HydrophobicContact CG-CG2 4.18Å; L774-L819 HydrophobicContact CD1-CD2 3.44Å; L774-L819 VanDerWaalsContact CD1-CD2 3.44Å; L774-L819 HydrophobicContact CD1-CG 3.62Å; L774-L822 HydrophobicContact CD1-CD1 4.06Å
775S95.3Very high93.9Very high72 Ų7270.5 Ų70.550%0.50337%0.365SS..Hα-helixtrans-62.5-47.5174.8-170.50000111.2R771 L772 L777 G778 D779R771-S775 WeakPolarHBondContact O-CB 3.43Å; R771-S775 PolarHBondContact O-N 2.75Å; L772-S775 PolarHBondContact O-N 2.82Å; S775-L777 VanDerWaalsContact C-N 3.31Å; S775-L777 PolarHBondContact O-N 2.96Å; S775-G778 WeakPolarHBondContact O-CA 3.37Å; S775-G778 PolarHBondContact O-N 2.89Å; S775-G778 VanDerWaalsContact O-N 3.1Å; S775-D779 PolarHBondContact O-N 3.13Å
776A95Very high93.3Very high52 Ų5264.4 Ų64.443%0.4335%0.35SS..Hα-helixtrans-60.8-41177.300000111.9L772 S773 D779 K780L772-A776 PolarHBondContact O-N 3.24Å; S773-A776 PolarHBondContact O-N 2.84Å; A776-D779 PolarHBondContact O-N 2.51Å; A776-K780 WeakPolarHBondContact O-CG 3.47Å; A776-K780 PolarHBondContact O-N 2.8Å
777L95.1Very high92.8Very high5 Ų561.2 Ų61.23%0.02634%0.34CS..Hα-helixtrans-63.8-40.7173.6-177.559.9000111.7S773 L774 S775 D779 K780 V781 V791 E794 I795 M798 L819 L822S773-L777 WeakPolarHBondContact O-CB 3.41Å; S773-L777 PolarHBondContact O-N 2.67Å; L774-L777 PolarHBondContact O-N 2.82Å; S775-L777 VanDerWaalsContact C-N 3.31Å; S775-L777 PolarHBondContact O-N 2.96Å; L777-D779 VanDerWaalsContact C-N 3.33Å; L777-D779 PolarHBondContact O-N 3.28Å; L777-K780 WeakPolarHBondContact O-CB 3.43Å; L777-K780 PolarHBondContact O-N 3.1Å; L777-V781 VanDerWaalsContact O-CG2 3.3Å; L777-V781 WeakPolarHBondContact O-CG2 3.39Å; L777-V781 PolarHBondContact O-N 3.22Å; L777-V791 HydrophobicContact CD1-CG1 4.35Å; L777-E794 HydrophobicContact CD1-CB 3.84Å; L777-I795 HydrophobicContact CD1-CG1 4.3Å; L777-I795 HydrophobicContact CD2-CG1 3.89Å; L777-I795 HydrophobicContact CG-CG1 4.27Å; L777-M798 HydrophobicContact CD2-CB 4.14Å; L777-M798 HydrophobicContact CD2-CG 4.39Å; L777-L819 HydrophobicContact CD2-CD2 4.1Å; L777-L822 HydrophobicContact CG-CD1 4.46Å
778G94.6Very high92.4Very high8 Ų863.5 Ų63.58%0.08235%0.352CS..Hα-helixtrans-59.5-42174.600000112.8L774 S775 V781 K782L774-G778 PolarHBondContact O-N 3.16Å; S775-G778 WeakPolarHBondContact O-CA 3.37Å; S775-G778 PolarHBondContact O-N 2.89Å; S775-G778 VanDerWaalsContact O-N 3.1Å; G778-V781 PolarHBondContact O-N 3Å; G778-K782 WeakPolarHBondContact O-CG 3.46Å; G778-K782 PolarHBondContact O-N 3.08Å
779D94.6Very high92Very high70 Ų7064.9 Ų64.937%0.37435%0.354SS..Hα-helixtrans-70.3-38.2176.8-67.1-27.4000112.3S775 A776 L777 V781 K782 Q783S775-D779 PolarHBondContact O-N 3.13Å; A776-D779 PolarHBondContact O-N 2.51Å; L777-D779 VanDerWaalsContact C-N 3.33Å; L777-D779 PolarHBondContact O-N 3.28Å; D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 3.29Å; D779-K782 PolarHBondContact O-N 3.25Å; D779-K782 IonicContact OD1-NZ 3.16Å; D779-K782 PolarHBondContact OD1-NZ 3.09Å; D779-Q783 WeakPolarHBondContact O-CG 3.18Å; D779-Q783 PolarHBondContact O-N 3.17Å
780K93.8Very high91.7Very high83 Ų8368.1 Ų68.136%0.36136%0.364SS..Hα-helixtrans-58.3-44.5170.2-75.3-176.8-178.3-177.60111.9A776 L777 Q783 Q784 E794A776-K780 WeakPolarHBondContact O-CG 3.47Å; A776-K780 PolarHBondContact O-N 2.8Å; L777-K780 WeakPolarHBondContact O-CB 3.43Å; L777-K780 PolarHBondContact O-N 3.1Å; K780-Q783 PolarHBondContact O-N 3.33Å; K780-Q784 WeakPolarHBondContact O-CG 3.45Å; K780-Q784 PolarHBondContact O-NE2 3.28Å; K780-E794 VanDerWaalsContact NZ-CD 3.29Å; K780-E794 IonicContact NZ-OE1 2.71Å; K780-E794 PolarHBondContact NZ-OE1 3.35Å; K780-E794 IonicContact NZ-OE2 3.29Å; K780-E794 PolarHBondContact NZ-OE2 2.87Å
781V92.8Very high91.5Very high3 Ų368.1 Ų68.12%0.01836%0.364CS..Hα-helixtrans-62.8-43.2178.5169.20000110.9L777 G778 D779 Q783 Q784 V791 I795 L822 T825 M826L777-V781 VanDerWaalsContact O-CG2 3.3Å; L777-V781 WeakPolarHBondContact O-CG2 3.39Å; L777-V781 PolarHBondContact O-N 3.22Å; G778-V781 PolarHBondContact O-N 3Å; D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 3.29Å; V781-Q783 PolarHBondContact O-N 3.3Å; V781-Q784 WeakPolarHBondContact O-CB 3.48Å; V781-Q784 PolarHBondContact O-N 3.15Å; V781-Q784 VanDerWaalsContact O-N 3.08Å; V781-V791 HydrophobicContact CG2-CG1 3.59Å; V781-I795 HydrophobicContact CG2-CD1 3.96Å; V781-L822 HydrophobicContact CB-CD2 4.18Å; V781-L822 HydrophobicContact CG1-CD2 4.1Å; V781-L822 HydrophobicContact CG2-CB 4.42Å; V781-L822 HydrophobicContact CG2-CD2 4.48Å; V781-T825 HydrophobicContact CG1-CG2 4.03Å; V781-M826 HydrophobicContact CG1-CG 4.14Å; V781-M826 HydrophobicContact CG1-SD 4.02Å; V781-M826 HydrophobicContact CG2-CG 4.3Å; V781-M826 HydrophobicContact CG2-SD 4.35Å
782K91.4Very high91.3Very high157 Ų15766.9 Ų66.968%0.68336%0.362SS*.Hα-helixtrans-62.5-28.1177.4-71.9170.7-168.1161.20113.6G778 D779 Q784G778-K782 WeakPolarHBondContact O-CG 3.46Å; G778-K782 PolarHBondContact O-N 3.08Å; D779-K782 PolarHBondContact O-N 3.25Å; D779-K782 IonicContact OD1-NZ 3.16Å; D779-K782 PolarHBondContact OD1-NZ 3.09Å; K782-Q784 VanDerWaalsContact C-N 3.29Å
783Q92.1Very high91.1Very high146 Ų14666.9 Ų66.968%0.68236%0.357SS*.THydrogen-bonded Turntrans-79.3-10.7177.6-68.8170.513.900113.1D779 K780 V781 T785D779-Q783 WeakPolarHBondContact O-CG 3.18Å; D779-Q783 PolarHBondContact O-N 3.17Å; K780-Q783 PolarHBondContact O-N 3.33Å; V781-Q783 PolarHBondContact O-N 3.3Å; Q783-T785 PolarHBondContact O-N 3.06Å
784Q90Very high91.1Very high41 Ų4167.8 Ų67.819%0.19236%0.355CS..  trans-74.4123.7179.7-56.5-50-64.400110.7K780 V781 K782 N788 M826 L829K780-Q784 WeakPolarHBondContact O-CG 3.45Å; K780-Q784 PolarHBondContact O-NE2 3.28Å; V781-Q784 WeakPolarHBondContact O-CB 3.48Å; V781-Q784 PolarHBondContact O-N 3.15Å; V781-Q784 VanDerWaalsContact O-N 3.08Å; K782-Q784 VanDerWaalsContact C-N 3.29Å; Q784-N788 VanDerWaalsContact OE1-CB 3.32Å; Q784-N788 PolarHBondContact OE1-ND2 3.38Å; Q784-M826 HydrophobicContact CB-SD 4.2Å; Q784-M826 HydrophobicContact CG-CE 4.21Å; Q784-M826 HydrophobicContact CG-SD 3.92Å; Q784-L829 HydrophobicContact CB-CD1 3.87Å
785T85.8Confident91Very high134 Ų13467.4 Ų67.482%0.82235%0.353SS*.SBendtrans-102.4-12171.554.10000112.4Q783Q783-T785 PolarHBondContact O-N 3.06Å
786S82.2Confident90.9Very high52 Ų5266.6 Ų66.636%0.36435%0.351SS..SBendtrans-139.3166.217863.60000110.3
787P83.3Confident90.8Very high35 Ų3568.3 Ų68.323%0.22735%0.353CS..  trans-62.7141.6178.8-21.436.4000111D830 Y833P787-D830 HydrophobicContact CB-CB 4.21Å; P787-D830 HydrophobicContact CG-CB 4.17Å; P787-Y833 VanDerWaalsContact CD-CG 3.48Å; P787-Y833 HydrophobicContact CG-CD1 3.82Å; P787-Y833 HydrophobicContact CG-CG 3.71Å
788N87.6Confident90.8Very high48 Ų4869.6 Ų69.626%0.25736%0.359SS..  trans-139.6109-179.1-173.4-31.9000110Q784 D790 V791 Q792 M826Q784-N788 VanDerWaalsContact OE1-CB 3.32Å; Q784-N788 PolarHBondContact OE1-ND2 3.38Å; N788-D790 VanDerWaalsContact C-N 3.33Å; N788-D790 PolarHBondContact O-N 2.87Å; N788-D790 PolarHBondContact OD1-N 3Å; N788-V791 HydrophobicContact CB-CB 4.18Å; N788-V791 HydrophobicContact CB-CG2 4.1Å; N788-V791 PolarHBondContact O-N 3.48Å; N788-V791 PolarHBondContact OD1-N 2.94Å; N788-Q792 WeakPolarHBondContact O-CG 3.22Å; N788-Q792 PolarHBondContact O-N 2.5Å; N788-Q792 VanDerWaalsContact O-N 3.1Å; N788-M826 HydrophobicContact CB-CE 3.99Å
789K85.5Confident90.7Very high118 Ų11872.1 Ų72.151%0.51337%0.373SS..Hα-helixtrans-67.3-31.6-176.8-71.6-173.5179.1-179.90112.9Q792 K793 D895K789-Q792 PolarHBondContact O-N 2.79Å; K789-K793 WeakPolarHBondContact O-CB 3.31Å; K789-K793 PolarHBondContact O-N 3.27Å; K789-D895 PolarHBondContact NZ-O 2.82Å
790D89Confident90.6Very high117 Ų11775.4 Ų75.463%0.62639%0.386SS*.Hα-helixtrans-68.4-42.4178.5-65.4-30.9000110.4N788 Q792 K793 E794N788-D790 VanDerWaalsContact C-N 3.33Å; N788-D790 PolarHBondContact O-N 2.87Å; N788-D790 PolarHBondContact OD1-N 3Å; D790-Q792 PolarHBondContact O-N 3.08Å; D790-K793 WeakPolarHBondContact O-CB 3.15Å; D790-K793 PolarHBondContact O-N 3.17Å; D790-E794 WeakPolarHBondContact O-CG 3.32Å; D790-E794 PolarHBondContact O-N 2.93Å
791V91.9Very high90.3Very high6 Ų673.5 Ų73.54%0.03638%0.383CS..Hα-helixtrans-65-39.3174.3176.90000111.4L777 V781 N788 K793 E794 I795 M826L777-V791 HydrophobicContact CD1-CG1 4.35Å; V781-V791 HydrophobicContact CG2-CG1 3.59Å; N788-V791 HydrophobicContact CB-CB 4.18Å; N788-V791 HydrophobicContact CB-CG2 4.1Å; N788-V791 PolarHBondContact O-N 3.48Å; N788-V791 PolarHBondContact OD1-N 2.94Å; V791-K793 VanDerWaalsContact C-N 3.29Å; V791-K793 PolarHBondContact O-N 3.11Å; V791-E794 PolarHBondContact O-N 2.82Å; V791-I795 HydrophobicContact CG1-CD1 4.35Å; V791-I795 WeakPolarHBondContact O-CG1 3.47Å; V791-I795 PolarHBondContact O-N 3.13Å; V791-M826 HydrophobicContact CB-CE 4.32Å; V791-M826 HydrophobicContact CG1-CE 4.33Å; V791-M826 HydrophobicContact CG1-CG 4.47Å; V791-M826 HydrophobicContact CG1-SD 4.14Å
792Q90.7Very high90.3Very high59 Ų5973.4 Ų73.428%0.27638%0.382SS..Hα-helixtrans-61.7-37.4173.4-74.4178.4-29.700112.3N788 K789 D790 I795 A796 M826N788-Q792 WeakPolarHBondContact O-CG 3.22Å; N788-Q792 PolarHBondContact O-N 2.5Å; N788-Q792 VanDerWaalsContact O-N 3.1Å; K789-Q792 PolarHBondContact O-N 2.79Å; D790-Q792 PolarHBondContact O-N 3.08Å; Q792-I795 PolarHBondContact O-N 2.91Å; Q792-A796 PolarHBondContact O-N 3.43Å; Q792-A796 VanDerWaalsContact O-N 3.15Å; Q792-M826 HydrophobicContact CG-CB 4.04Å; Q792-M826 HydrophobicContact CG-CE 4.23Å; Q792-M826 HydrophobicContact CG-CG 4.46Å
793K92.3Very high90.1Very high131 Ų13167.1 Ų67.157%0.5736%0.362SS*.Hα-helixtrans-68.2-44.9173.8-172.7-178.5174.6-173.60111.6K789 D790 V791 I795 A796 D797K789-K793 WeakPolarHBondContact O-CB 3.31Å; K789-K793 PolarHBondContact O-N 3.27Å; D790-K793 WeakPolarHBondContact O-CB 3.15Å; D790-K793 PolarHBondContact O-N 3.17Å; V791-K793 VanDerWaalsContact C-N 3.29Å; V791-K793 PolarHBondContact O-N 3.11Å; K793-I795 VanDerWaalsContact C-N 3.25Å; K793-I795 PolarHBondContact O-N 3.16Å; K793-A796 WeakPolarHBondContact O-CA 3.38Å; K793-A796 WeakPolarHBondContact O-CB 3.41Å; K793-A796 PolarHBondContact O-N 3.37Å; K793-D797 PolarHBondContact O-N 3.4Å
794E94.6Very high89.9Confident74 Ų7465.5 Ų65.535%0.34636%0.362SS..Hα-helixtrans-55.8-39.7174-73.3-173.7-152.700111.8L777 K780 D790 V791 M798L777-E794 HydrophobicContact CD1-CB 3.84Å; K780-E794 VanDerWaalsContact NZ-CD 3.29Å; K780-E794 IonicContact NZ-OE1 2.71Å; K780-E794 PolarHBondContact NZ-OE1 3.35Å; K780-E794 IonicContact NZ-OE2 3.29Å; K780-E794 PolarHBondContact NZ-OE2 2.87Å; D790-E794 WeakPolarHBondContact O-CG 3.32Å; D790-E794 PolarHBondContact O-N 2.93Å; V791-E794 PolarHBondContact O-N 2.82Å; E794-M798 VanDerWaalsContact O-CB 3.28Å; E794-M798 WeakPolarHBondContact O-CB 2.89Å; E794-M798 PolarHBondContact O-N 2.68Å
795I94.1Very high89.7Confident4 Ų463.9 Ų63.92%0.02136%0.356CS..Hα-helixtrans-63.2-42.8174-67.9166.3000111.6L777 V781 V791 Q792 K793 T799 L819 L822 K823 M826L777-I795 HydrophobicContact CD1-CG1 4.3Å; L777-I795 HydrophobicContact CD2-CG1 3.89Å; L777-I795 HydrophobicContact CG-CG1 4.27Å; V781-I795 HydrophobicContact CG2-CD1 3.96Å; V791-I795 HydrophobicContact CG1-CD1 4.35Å; V791-I795 WeakPolarHBondContact O-CG1 3.47Å; V791-I795 PolarHBondContact O-N 3.13Å; Q792-I795 PolarHBondContact O-N 2.91Å; K793-I795 VanDerWaalsContact C-N 3.25Å; K793-I795 PolarHBondContact O-N 3.16Å; I795-T799 WeakPolarHBondContact O-CB 2.95Å; I795-T799 PolarHBondContact O-N 3.05Å; I795-T799 PolarHBondContact O-OG1 3.29Å; I795-L819 HydrophobicContact CG2-CD2 4.29Å; I795-L822 HydrophobicContact CD1-CB 4.27Å; I795-K823 HydrophobicContact CG2-CB 4.06Å; I795-M826 HydrophobicContact CD1-CG 3.76Å
796A93.3Very high89.9Confident56 Ų5663.5 Ų63.546%0.46335%0.349SS..Hα-helixtrans-65.3-47.8178.700000111.6Q792 K793 M798 T799 E800Q792-A796 PolarHBondContact O-N 3.43Å; Q792-A796 VanDerWaalsContact O-N 3.15Å; K793-A796 WeakPolarHBondContact O-CA 3.38Å; K793-A796 WeakPolarHBondContact O-CB 3.41Å; K793-A796 PolarHBondContact O-N 3.37Å; A796-M798 VanDerWaalsContact C-N 3.32Å; A796-M798 PolarHBondContact O-N 3.47Å; A796-T799 VanDerWaalsContact O-CB 3.32Å; A796-T799 WeakPolarHBondContact O-CB 3.42Å; A796-T799 PolarHBondContact O-N 3.08Å; A796-T799 VanDerWaalsContact O-N 3.08Å; A796-E800 PolarHBondContact O-N 3.35Å; A796-E800 VanDerWaalsContact O-N 3.12Å
797D92.4Very high90.6Very high87 Ų8761 Ų6147%0.46533%0.331SS..Hα-helixtrans-61.5-41.1178.4-64.1-11.3000110.9K793 T799 E800 S801K793-D797 PolarHBondContact O-N 3.4Å; D797-T799 VanDerWaalsContact C-N 3.33Å; D797-T799 PolarHBondContact O-N 3.13Å; D797-E800 PolarHBondContact O-N 3.3Å; D797-S801 WeakPolarHBondContact O-CB 3.2Å; D797-S801 PolarHBondContact O-N 3.4Å
798M94.4Very high91.3Very high33 Ų3359.4 Ų59.416%0.16332%0.321CS..Hα-helixtrans-65.3-36.2174.9-167.565.471.200112.2L770 L777 E794 A796 S801 I802 L819L770-M798 HydrophobicContact CD2-SD 4.18Å; L777-M798 HydrophobicContact CD2-CB 4.14Å; L777-M798 HydrophobicContact CD2-CG 4.39Å; E794-M798 VanDerWaalsContact O-CB 3.28Å; E794-M798 WeakPolarHBondContact O-CB 2.89Å; E794-M798 PolarHBondContact O-N 2.68Å; A796-M798 VanDerWaalsContact C-N 3.32Å; A796-M798 PolarHBondContact O-N 3.47Å; M798-S801 PolarHBondContact O-N 2.91Å; M798-I802 HydrophobicContact CG-CD1 4.04Å; M798-I802 HydrophobicContact CG-CG1 4.4Å; M798-I802 WeakPolarHBondContact O-CB 3.4Å; M798-I802 WeakPolarHBondContact O-CG1 3.49Å; M798-I802 PolarHBondContact O-N 3.16Å; M798-I802 HydrophobicContact SD-CD1 4.44Å; M798-I802 HydrophobicContact SD-CG1 4.47Å; M798-L819 HydrophobicContact CB-CD1 4.39Å; M798-L819 HydrophobicContact CB-CD2 4.04Å; M798-L819 HydrophobicContact CG-CD1 4.09Å; M798-L819 HydrophobicContact CG-CD2 3.94Å
799T93.6Very high91.7Very high60 Ų6058.3 Ų58.337%0.36831%0.314SS..Hα-helixtrans-62.4-42.6176.7-580000111.4I795 A796 D797 G803I795-T799 WeakPolarHBondContact O-CB 2.95Å; I795-T799 PolarHBondContact O-N 3.05Å; I795-T799 PolarHBondContact O-OG1 3.29Å; A796-T799 VanDerWaalsContact O-CB 3.32Å; A796-T799 WeakPolarHBondContact O-CB 3.42Å; A796-T799 PolarHBondContact O-N 3.08Å; A796-T799 VanDerWaalsContact O-N 3.08Å; D797-T799 VanDerWaalsContact C-N 3.33Å; D797-T799 PolarHBondContact O-N 3.13Å; T799-G803 PolarHBondContact O-N 3.11Å
800E91.4Very high92.3Very high139 Ų13953.9 Ų53.965%0.6529%0.294SS*.Hα-helixtrans-67.6-44.9176.2-173.9175.817800111.9A796 D797 I802 G803 T804A796-E800 PolarHBondContact O-N 3.35Å; A796-E800 VanDerWaalsContact O-N 3.12Å; D797-E800 PolarHBondContact O-N 3.3Å; E800-I802 PolarHBondContact O-N 3.37Å; E800-G803 PolarHBondContact O-N 2.98Å; E800-G803 VanDerWaalsContact O-N 3.08Å; E800-T804 PolarHBondContact O-N 3.33Å; E800-T804 VanDerWaalsContact O-N 3.14Å; E800-T804 PolarHBondContact O-OG1 3.01Å
801S88.7Confident92.7Very high44 Ų4448.9 Ų48.931%0.30827%0.267SS..Hα-helixtrans-58.4-46.4177.6-178.20000112.4D797 M798 G803 T804 A805D797-S801 WeakPolarHBondContact O-CB 3.2Å; D797-S801 PolarHBondContact O-N 3.4Å; M798-S801 PolarHBondContact O-N 2.91Å; S801-G803 VanDerWaalsContact C-N 3.31Å; S801-T804 PolarHBondContact O-OG1 2.73Å; S801-A805 WeakPolarHBondContact O-CB 3.44Å; S801-A805 PolarHBondContact O-N 2.91Å
802I92.7Very high92.9Very high0 Ų049.3 Ų49.30%027%0.268CS..Hα-helixtrans-68.3-34.4175.4-65.8-178000111L770 M798 E800 T804 A805 K812 M815 R816 L819L770-I802 HydrophobicContact CD1-CG1 4.32Å; L770-I802 HydrophobicContact CD2-CG1 4.13Å; M798-I802 HydrophobicContact CG-CD1 4.04Å; M798-I802 HydrophobicContact CG-CG1 4.4Å; M798-I802 WeakPolarHBondContact O-CB 3.4Å; M798-I802 WeakPolarHBondContact O-CG1 3.49Å; M798-I802 PolarHBondContact O-N 3.16Å; M798-I802 HydrophobicContact SD-CD1 4.44Å; M798-I802 HydrophobicContact SD-CG1 4.47Å; E800-I802 PolarHBondContact O-N 3.37Å; I802-T804 VanDerWaalsContact C-N 3.31Å; I802-T804 PolarHBondContact O-N 3.31Å; I802-A805 PolarHBondContact O-N 2.89Å; I802-K812 HydrophobicContact CG2-CG 3.88Å; I802-M815 HydrophobicContact CD1-CB 3.75Å; I802-M815 HydrophobicContact CD1-CG 4.39Å; I802-M815 HydrophobicContact CD1-SD 3.96Å; I802-M815 HydrophobicContact CG2-CB 4.13Å; I802-R816 HydrophobicContact CG2-CG 4.26Å; I802-L819 HydrophobicContact CD1-CD1 3.64Å; I802-L819 HydrophobicContact CD1-CG 4.49Å; I802-L819 HydrophobicContact CG1-CD1 4.47Å
803G87.7Confident93.1Very high25 Ų2548.2 Ų48.226%0.25826%0.264SS..Hα-helixtrans-62.1-35.5-179.300000114.3T799 E800 S801T799-G803 PolarHBondContact O-N 3.11Å; E800-G803 PolarHBondContact O-N 2.98Å; E800-G803 VanDerWaalsContact O-N 3.08Å; S801-G803 VanDerWaalsContact C-N 3.31Å
804T86.1Confident93.3Very high112 Ų11245.5 Ų45.569%0.68725%0.254SS*.Hα-helixtrans-98.5-5-178.555.80000113.9E800 S801 I802E800-T804 PolarHBondContact O-N 3.33Å; E800-T804 VanDerWaalsContact O-N 3.14Å; E800-T804 PolarHBondContact O-OG1 3.01Å; S801-T804 PolarHBondContact O-OG1 2.73Å; I802-T804 VanDerWaalsContact C-N 3.31Å; I802-T804 PolarHBondContact O-N 3.31Å
805A86.6Confident93.4Very high8 Ų842.3 Ų42.37%0.06624%0.239CC..  trans-69.4136.3-177.700000112.8L770 S801 I802 I807 K812L770-A805 HydrophobicContact CD1-CB 3.79Å; S801-A805 WeakPolarHBondContact O-CB 3.44Å; S801-A805 PolarHBondContact O-N 2.91Å; I802-A805 PolarHBondContact O-N 2.89Å; A805-I807 HydrophobicContact CB-CD1 4.43Å; A805-I807 HydrophobicContact CB-CG1 4.24Å; A805-I807 HydrophobicContact CB-CG2 4.15Å; A805-I807 PolarHBondContact O-N 3.29Å; A805-K812 WeakPolarHBondContact O-CE 3.26Å; A805-K812 PolarHBondContact O-NZ 3.39Å
806L90.3Very high93.5Very high126 Ų12646.8 Ų46.866%0.6626%0.256SS*.  trans-85.984168.9-61.9178.3000109.2A763A763-L806 WeakPolarHBondContact CA-O 3.41Å; A763-L806 VanDerWaalsContact CB-O 3.29Å; A763-L806 WeakPolarHBondContact CB-O 3.4Å
807I96.5Very high93.6Very high0 Ų049.6 Ų49.60%026%0.259CS..SBendtrans-135.1168.7178.863172.5000109A763 K766 A767 L770 A805 Q809 K812 M815A763-I807 WeakPolarHBondContact O-CG2 3.25Å; K766-I807 HydrophobicContact CB-CG2 4Å; K766-I807 HydrophobicContact CG-CG2 3.98Å; A767-I807 HydrophobicContact CB-CB 4.1Å; A767-I807 HydrophobicContact CB-CG2 3.93Å; L770-I807 HydrophobicContact CD1-CD1 4.16Å; L770-I807 HydrophobicContact CD1-CG2 4.45Å; A805-I807 HydrophobicContact CB-CD1 4.43Å; A805-I807 HydrophobicContact CB-CG1 4.24Å; A805-I807 HydrophobicContact CB-CG2 4.15Å; A805-I807 PolarHBondContact O-N 3.29Å; I807-Q809 PolarHBondContact O-N 3.48Å; I807-K812 HydrophobicContact CD1-CB 4.15Å; I807-K812 HydrophobicContact CG1-CB 4.14Å; I807-M815 HydrophobicContact CD1-CE 4.07Å; I807-M815 HydrophobicContact CD1-SD 4.23Å
808S97.6Very high93.7Very high1 Ų148.6 Ų48.61%0.00726%0.256CS..  trans-48.8125.1175-63.30000110.9E653 V738 I739 W810 Q811 K812E653-S808 WeakPolarHBondContact OE1-CB 3.12Å; E653-S808 PolarHBondContact OE1-OG 2.83Å; E653-S808 PolarHBondContact OE2-OG 3Å; V738-S808 WeakPolarHBondContact CG1-OG 3.49Å; I739-S808 CarbonylContact O-C 3.55Å; I739-S808 WeakPolarHBondContact O-CA 3.21Å; S808-W810 VanDerWaalsContact C-N 3.26Å; S808-W810 PolarHBondContact O-N 2.72Å; S808-Q811 WeakPolarHBondContact O-CB 3.32Å; S808-Q811 PolarHBondContact O-N 3.43Å; S808-K812 PolarHBondContact O-N 2.91Å
809Q97.4Very high93.8Very high24 Ų2447.2 Ų47.211%0.11225%0.249CC..Hα-helixtrans-58.5-40.1-173.5177.853.536.600111.3I649 I739 V740 I807 Q811 K812 D813I649-Q809 HydrophobicContact CD1-CG 3.96Å; I649-Q809 HydrophobicContact CG2-CB 4.23Å; I739-Q809 HydrophobicContact CG2-CB 4.44Å; I739-Q809 PolarHBondContact O-N 3.47Å; V740-Q809 PolarHBondContact O-OE1 3.36Å; I807-Q809 PolarHBondContact O-N 3.48Å; Q809-Q811 VanDerWaalsContact C-N 3.35Å; Q809-Q811 PolarHBondContact O-N 3.2Å; Q809-K812 WeakPolarHBondContact O-CB 3.39Å; Q809-K812 PolarHBondContact O-N 3.26Å; Q809-D813 PolarHBondContact NE2-OD1 3.08Å; Q809-D813 PolarHBondContact NE2-OD2 3.36Å; Q809-D813 PolarHBondContact O-N 3.3Å; Q809-D813 VanDerWaalsContact O-N 3.08Å
810W97.4Very high93.9Very high25 Ų2550.3 Ų50.310%0.09526%0.258CS..Hα-helixtrans-65.7-36.2177.369.2-92.6000113T646 I649 R650 E653 S808 K812 D813 E814T646-W810 HydrophobicContact CG2-CB 3.88Å; I649-W810 HydrophobicContact CB-CB 4.49Å; I649-W810 HydrophobicContact CG2-CB 4.23Å; R650-W810 HydrophobicContact CB-CB 3.97Å; R650-W810 HydrophobicContact CB-CD2 4.05Å; R650-W810 HydrophobicContact CB-CG 3.79Å; R650-W810 HydrophobicContact CG-CD2 3.94Å; R650-W810 HydrophobicContact CG-CE3 4.24Å; R650-W810 HydrophobicContact CG-CG 4.2Å; E653-W810 PolarHBondContact OE1-NE1 3.36Å; S808-W810 VanDerWaalsContact C-N 3.26Å; S808-W810 PolarHBondContact O-N 2.72Å; W810-K812 VanDerWaalsContact C-N 3.35Å; W810-D813 PolarHBondContact O-N 2.8Å; W810-E814 HydrophobicContact CE3-CG 4.47Å; W810-E814 VanDerWaalsContact CZ3-OE2 3.32Å; W810-E814 WeakPolarHBondContact CZ3-OE2 3.34Å; W810-E814 WeakPolarHBondContact O-CG 3.42Å; W810-E814 PolarHBondContact O-N 3.15Å; W810-E814 VanDerWaalsContact O-N 3.08Å
811Q97.3Very high94.1Very high13 Ų1346.3 Ų46.36%0.06125%0.248CC..Hα-helixtrans-68.6-38176.4-60.9-175.6-26.200111R771 S808 Q809 D813 E814 M815R771-Q811 VanDerWaalsContact NH1-NE2 3.13Å; R771-Q811 VanDerWaalsContact NH2-CD 3.27Å; R771-Q811 VanDerWaalsContact NH2-CG 3.34Å; S808-Q811 WeakPolarHBondContact O-CB 3.32Å; S808-Q811 PolarHBondContact O-N 3.43Å; Q809-Q811 VanDerWaalsContact C-N 3.35Å; Q809-Q811 PolarHBondContact O-N 3.2Å; Q811-D813 VanDerWaalsContact C-N 3.31Å; Q811-D813 PolarHBondContact O-N 3.37Å; Q811-E814 PolarHBondContact O-N 3.48Å; Q811-M815 HydrophobicContact CB-CE 4.15Å; Q811-M815 WeakPolarHBondContact O-CB 3.35Å; Q811-M815 VanDerWaalsContact O-CG 3.24Å; Q811-M815 WeakPolarHBondContact O-CG 3.32Å; Q811-M815 PolarHBondContact O-N 3.3Å
812K95.6Very high94.4Very high15 Ų1545.1 Ų45.17%0.06524%0.239CC..Hα-helixtrans-59-44.1174.3-170.1-176.2-68.7166.60111I802 A805 I807 S808 Q809 W810 M815 R816I802-K812 HydrophobicContact CG2-CG 3.88Å; A805-K812 WeakPolarHBondContact O-CE 3.26Å; A805-K812 PolarHBondContact O-NZ 3.39Å; I807-K812 HydrophobicContact CD1-CB 4.15Å; I807-K812 HydrophobicContact CG1-CB 4.14Å; S808-K812 PolarHBondContact O-N 2.91Å; Q809-K812 WeakPolarHBondContact O-CB 3.39Å; Q809-K812 PolarHBondContact O-N 3.26Å; W810-K812 VanDerWaalsContact C-N 3.35Å; K812-M815 PolarHBondContact O-N 3.09Å; K812-R816 WeakPolarHBondContact O-CB 3.47Å; K812-R816 VanDerWaalsContact O-CG 3.31Å; K812-R816 WeakPolarHBondContact O-CG 3.28Å; K812-R816 PolarHBondContact O-N 3.12Å
813D95.6Very high94.5Very high35 Ų3550.8 Ų50.819%0.18726%0.263CS..Hα-helixtrans-66-44.6178.8-65.1-22.7000112.1T646 Q809 W810 Q811 M815 R816 E817T646-D813 HydrophobicContact CG2-CB 3.88Å; T646-D813 PolarHBondContact OG1-OD2 3.08Å; Q809-D813 PolarHBondContact NE2-OD1 3.08Å; Q809-D813 PolarHBondContact NE2-OD2 3.36Å; Q809-D813 PolarHBondContact O-N 3.3Å; Q809-D813 VanDerWaalsContact O-N 3.08Å; W810-D813 PolarHBondContact O-N 2.8Å; Q811-D813 VanDerWaalsContact C-N 3.31Å; Q811-D813 PolarHBondContact O-N 3.37Å; D813-M815 PolarHBondContact O-N 3.31Å; D813-R816 PolarHBondContact O-N 2.78Å; D813-R816 IonicContact OD1-NH1 3.69Å; D813-E817 PolarHBondContact O-N 3.43Å
814E95.9Very high94.8Very high75 Ų7555.9 Ų55.935%0.3528%0.278SS..Hα-helixtrans-60.8-42.2175.4-73.3-178.717400112.5R650 W810 Q811 E817 T818R650-E814 IonicContact NH1-OE1 2.72Å; R650-E814 PolarHBondContact NH1-OE1 2.93Å; W810-E814 HydrophobicContact CE3-CG 4.47Å; W810-E814 VanDerWaalsContact CZ3-OE2 3.32Å; W810-E814 WeakPolarHBondContact CZ3-OE2 3.34Å; W810-E814 WeakPolarHBondContact O-CG 3.42Å; W810-E814 PolarHBondContact O-N 3.15Å; W810-E814 VanDerWaalsContact O-N 3.08Å; Q811-E814 PolarHBondContact O-N 3.48Å; E814-E817 PolarHBondContact O-N 3.15Å; E814-T818 PolarHBondContact O-N 2.75Å; E814-T818 PolarHBondContact O-OG1 3.5Å
815M97.2Very high95.1Very high6 Ų653.7 Ų53.73%0.0327%0.265CS..Hα-helixtrans-66.5-38.1177-70.4-177.2-150.300112.1A767 L770 R771 L774 I802 I807 Q811 K812 D813 T818 L819A767-M815 HydrophobicContact CB-CE 4.45Å; L770-M815 HydrophobicContact CB-SD 4.1Å; R771-M815 HydrophobicContact CG-CE 3.43Å; R771-M815 VanDerWaalsContact CG-CE 3.43Å; R771-M815 HydrophobicContact CG-SD 4.38Å; L774-M815 HydrophobicContact CD2-CB 3.83Å; L774-M815 HydrophobicContact CD2-CG 3.81Å; I802-M815 HydrophobicContact CD1-CB 3.75Å; I802-M815 HydrophobicContact CD1-CG 4.39Å; I802-M815 HydrophobicContact CD1-SD 3.96Å; I802-M815 HydrophobicContact CG2-CB 4.13Å; I807-M815 HydrophobicContact CD1-CE 4.07Å; I807-M815 HydrophobicContact CD1-SD 4.23Å; Q811-M815 HydrophobicContact CB-CE 4.15Å; Q811-M815 WeakPolarHBondContact O-CB 3.35Å; Q811-M815 VanDerWaalsContact O-CG 3.24Å; Q811-M815 WeakPolarHBondContact O-CG 3.32Å; Q811-M815 PolarHBondContact O-N 3.3Å; K812-M815 PolarHBondContact O-N 3.09Å; D813-M815 PolarHBondContact O-N 3.31Å; M815-T818 WeakPolarHBondContact O-CB 3.33Å; M815-T818 PolarHBondContact O-N 3.25Å; M815-L819 PolarHBondContact O-N 3.48Å
816R95.7Very high95.4Very high99 Ų9953.4 Ų53.437%0.37426%0.262SS..Hα-helixtrans-63.7-42.2175.5-79.4171.4170.2171.5-5.5112I802 K812 D813 T818 L819 K820I802-R816 HydrophobicContact CG2-CG 4.26Å; K812-R816 WeakPolarHBondContact O-CB 3.47Å; K812-R816 VanDerWaalsContact O-CG 3.31Å; K812-R816 WeakPolarHBondContact O-CG 3.28Å; K812-R816 PolarHBondContact O-N 3.12Å; D813-R816 PolarHBondContact O-N 2.78Å; D813-R816 IonicContact OD1-NH1 3.69Å; R816-T818 VanDerWaalsContact C-N 3.32Å; R816-T818 PolarHBondContact O-N 3.42Å; R816-L819 PolarHBondContact O-N 3.06Å; R816-K820 WeakPolarHBondContact O-CB 3.33Å; R816-K820 PolarHBondContact O-N 3Å
817E95.4Very high95.4Very high114 Ų11450.5 Ų50.553%0.53325%0.247SC..Hα-helixtrans-65.5-36.8175-75.7-59.7130.500111.7D813 E814 K820 A821D813-E817 PolarHBondContact O-N 3.43Å; E814-E817 PolarHBondContact O-N 3.15Å; E817-K820 PolarHBondContact O-N 3.17Å; E817-K820 IonicContact OE1-NZ 2.88Å; E817-K820 PolarHBondContact OE1-NZ 3.41Å; E817-K820 VanDerWaalsContact OE1-NZ 3.13Å; E817-K820 IonicContact OE2-NZ 3.66Å; E817-K820 PolarHBondContact OE2-NZ 3.47Å; E817-A821 PolarHBondContact O-N 3.4Å
818T95.8Very high95.1Very high67 Ų6753.8 Ų53.841%0.41127%0.265SS..Hα-helixtrans-61.7-48.1172.5-56.80000111.6L774 E814 M815 R816 K820 A821 L822L774-T818 HydrophobicContact CD1-CG2 4.29Å; L774-T818 HydrophobicContact CD2-CG2 4Å; L774-T818 HydrophobicContact CG-CG2 4.18Å; E814-T818 PolarHBondContact O-N 2.75Å; E814-T818 PolarHBondContact O-OG1 3.5Å; M815-T818 WeakPolarHBondContact O-CB 3.33Å; M815-T818 PolarHBondContact O-N 3.25Å; R816-T818 VanDerWaalsContact C-N 3.32Å; R816-T818 PolarHBondContact O-N 3.42Å; T818-K820 VanDerWaalsContact C-N 3.31Å; T818-K820 PolarHBondContact O-N 2.78Å; T818-A821 WeakPolarHBondContact O-CB 3.09Å; T818-A821 PolarHBondContact O-N 3.41Å; T818-A821 VanDerWaalsContact O-N 3.16Å; T818-L822 WeakPolarHBondContact O-CG 3.46Å; T818-L822 PolarHBondContact O-N 3.25Å
819L95.8Very high94.7Very high3 Ų355.8 Ų55.82%0.01628%0.275CS..Hα-helixtrans-60.8-39.2176.9-80.2172000112.6L774 L777 I795 M798 I802 M815 R816 A821 L822 K823L774-L819 HydrophobicContact CD1-CD2 3.44Å; L774-L819 VanDerWaalsContact CD1-CD2 3.44Å; L774-L819 HydrophobicContact CD1-CG 3.62Å; L777-L819 HydrophobicContact CD2-CD2 4.1Å; I795-L819 HydrophobicContact CG2-CD2 4.29Å; M798-L819 HydrophobicContact CB-CD1 4.39Å; M798-L819 HydrophobicContact CB-CD2 4.04Å; M798-L819 HydrophobicContact CG-CD1 4.09Å; M798-L819 HydrophobicContact CG-CD2 3.94Å; I802-L819 HydrophobicContact CD1-CD1 3.64Å; I802-L819 HydrophobicContact CD1-CG 4.49Å; I802-L819 HydrophobicContact CG1-CD1 4.47Å; M815-L819 PolarHBondContact O-N 3.48Å; R816-L819 PolarHBondContact O-N 3.06Å; L819-A821 VanDerWaalsContact C-N 3.32Å; L819-A821 PolarHBondContact O-N 3.24Å; L819-L822 PolarHBondContact O-N 2.88Å; L819-K823 WeakPolarHBondContact O-CB 3.42Å; L819-K823 PolarHBondContact O-N 3.08Å
820K95.9Very high94.2Very high125 Ų12556.6 Ų56.654%0.54328%0.281SS..Hα-helixtrans-62.8-39.1175.6-175.2-177.6174.8-169.20111.7R816 E817 T818 K824R816-K820 WeakPolarHBondContact O-CB 3.33Å; R816-K820 PolarHBondContact O-N 3Å; E817-K820 PolarHBondContact O-N 3.17Å; E817-K820 IonicContact OE1-NZ 2.88Å; E817-K820 PolarHBondContact OE1-NZ 3.41Å; E817-K820 VanDerWaalsContact OE1-NZ 3.13Å; E817-K820 IonicContact OE2-NZ 3.66Å; E817-K820 PolarHBondContact OE2-NZ 3.47Å; T818-K820 VanDerWaalsContact C-N 3.31Å; T818-K820 PolarHBondContact O-N 2.78Å; K820-K824 WeakPolarHBondContact O-CB 3.44Å; K820-K824 PolarHBondContact O-N 3.31Å
821A95.5Very high93.7Very high55 Ų5563.7 Ų63.746%0.45531%0.307SS..Hα-helixtrans-65.6-4517300000111.9E817 T818 L819 K823 K824 T825E817-A821 PolarHBondContact O-N 3.4Å; T818-A821 WeakPolarHBondContact O-CB 3.09Å; T818-A821 PolarHBondContact O-N 3.41Å; T818-A821 VanDerWaalsContact O-N 3.16Å; L819-A821 VanDerWaalsContact C-N 3.32Å; L819-A821 PolarHBondContact O-N 3.24Å; A821-K823 VanDerWaalsContact C-N 3.35Å; A821-K823 PolarHBondContact O-N 2.84Å; A821-K824 WeakPolarHBondContact O-CB 3.2Å; A821-K824 PolarHBondContact O-N 3.1Å; A821-T825 PolarHBondContact O-N 3.03Å; A821-T825 PolarHBondContact O-OG1 3.33Å
822L95.2Very high93.3Very high20 Ų2066.2 Ų66.211%0.10533%0.326CS..Hα-helixtrans-60.9-42.9176.2-65.6-178.2000112.1L774 L777 V781 I795 T818 L819 K824 T825 M826L774-L822 HydrophobicContact CD1-CD1 4.06Å; L777-L822 HydrophobicContact CG-CD1 4.46Å; V781-L822 HydrophobicContact CB-CD2 4.18Å; V781-L822 HydrophobicContact CG1-CD2 4.1Å; V781-L822 HydrophobicContact CG2-CB 4.42Å; V781-L822 HydrophobicContact CG2-CD2 4.48Å; I795-L822 HydrophobicContact CD1-CB 4.27Å; T818-L822 WeakPolarHBondContact O-CG 3.46Å; T818-L822 PolarHBondContact O-N 3.25Å; L819-L822 PolarHBondContact O-N 2.88Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 2.68Å; L822-T825 WeakPolarHBondContact O-CB 3.24Å; L822-T825 PolarHBondContact O-N 3.04Å; L822-M826 PolarHBondContact O-N 3.48Å; L822-M826 VanDerWaalsContact O-N 3.13Å
823K94.5Very high92.8Very high118 Ų11870.4 Ų70.451%0.51334%0.342SS..Hα-helixtrans-59-46174.8-174.3174.3179.11750111.2I795 L819 A821 T825 M826 D827I795-K823 HydrophobicContact CG2-CB 4.06Å; L819-K823 WeakPolarHBondContact O-CB 3.42Å; L819-K823 PolarHBondContact O-N 3.08Å; A821-K823 VanDerWaalsContact C-N 3.35Å; A821-K823 PolarHBondContact O-N 2.84Å; K823-T825 VanDerWaalsContact C-N 3.33Å; K823-T825 PolarHBondContact O-N 2.87Å; K823-M826 PolarHBondContact O-N 3.27Å; K823-D827 VanDerWaalsContact O-CG 3.32Å; K823-D827 PolarHBondContact O-N 3.13Å
824K94.1Very high92.3Very high133 Ų13373.7 Ų73.758%0.57836%0.355SS*.Hα-helixtrans-58.7-43.5177-173.6-176.7175.5-172.70111.8K820 A821 L822 M826 D827 D828K820-K824 WeakPolarHBondContact O-CB 3.44Å; K820-K824 PolarHBondContact O-N 3.31Å; A821-K824 WeakPolarHBondContact O-CB 3.2Å; A821-K824 PolarHBondContact O-N 3.1Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 2.68Å; K824-M826 VanDerWaalsContact C-N 3.33Å; K824-M826 PolarHBondContact O-N 3.06Å; K824-D827 PolarHBondContact O-N 3.45Å; K824-D828 WeakPolarHBondContact O-CB 3.46Å; K824-D828 PolarHBondContact O-N 3.15Å
825T92.9Very high91.8Very high66 Ų6672.4 Ų72.441%0.40536%0.357SS..Hα-helixtrans-58.2-44.6175.8-56.40000111.9V781 A821 L822 K823 D828 L829V781-T825 HydrophobicContact CG1-CG2 4.03Å; A821-T825 PolarHBondContact O-N 3.03Å; A821-T825 PolarHBondContact O-OG1 3.33Å; L822-T825 WeakPolarHBondContact O-CB 3.24Å; L822-T825 PolarHBondContact O-N 3.04Å; K823-T825 VanDerWaalsContact C-N 3.33Å; K823-T825 PolarHBondContact O-N 2.87Å; T825-D828 PolarHBondContact O-N 2.97Å; T825-L829 WeakPolarHBondContact O-CG 3.49Å; T825-L829 PolarHBondContact O-N 3.47Å
826M91.8Very high91.4Very high1 Ų175.9 Ų75.91%0.00538%0.376CS..Hα-helixtrans-66.4-39.3177-69.2-57.1-59.500112.7V781 Q784 N788 V791 Q792 I795 L822 K823 K824 D828 L829 D830V781-M826 HydrophobicContact CG1-CG 4.14Å; V781-M826 HydrophobicContact CG1-SD 4.02Å; V781-M826 HydrophobicContact CG2-CG 4.3Å; V781-M826 HydrophobicContact CG2-SD 4.35Å; Q784-M826 HydrophobicContact CB-SD 4.2Å; Q784-M826 HydrophobicContact CG-CE 4.21Å; Q784-M826 HydrophobicContact CG-SD 3.92Å; N788-M826 HydrophobicContact CB-CE 3.99Å; V791-M826 HydrophobicContact CB-CE 4.32Å; V791-M826 HydrophobicContact CG1-CE 4.33Å; V791-M826 HydrophobicContact CG1-CG 4.47Å; V791-M826 HydrophobicContact CG1-SD 4.14Å; Q792-M826 HydrophobicContact CG-CB 4.04Å; Q792-M826 HydrophobicContact CG-CE 4.23Å; Q792-M826 HydrophobicContact CG-CG 4.46Å; I795-M826 HydrophobicContact CD1-CG 3.76Å; L822-M826 PolarHBondContact O-N 3.48Å; L822-M826 VanDerWaalsContact O-N 3.13Å; K823-M826 PolarHBondContact O-N 3.27Å; K824-M826 VanDerWaalsContact C-N 3.33Å; K824-M826 PolarHBondContact O-N 3.06Å; M826-D828 VanDerWaalsContact C-N 3.35Å; M826-L829 PolarHBondContact O-N 2.86Å; M826-L829 HydrophobicContact SD-CD1 4.15Å; M826-D830 PolarHBondContact O-N 3.33Å
827D89.9Confident90.9Very high66 Ų6671.3 Ų71.335%0.35336%0.359SS..Hα-helixtrans-67-36.2176.9-68.9-16.4000111.8K823 K824 D830 R831K823-D827 VanDerWaalsContact O-CG 3.32Å; K823-D827 PolarHBondContact O-N 3.13Å; K824-D827 PolarHBondContact O-N 3.45Å; D827-D830 PolarHBondContact O-N 3.02Å; D827-R831 WeakPolarHBondContact O-CB 3.44Å; D827-R831 PolarHBondContact O-N 2.66Å
828D90.8Very high90.5Very high69 Ų6967.4 Ų67.437%0.36934%0.341SS..Hα-helixtrans-70.4-38175.8-73.9-24.5000111.4K824 T825 M826 R831 S832K824-D828 WeakPolarHBondContact O-CB 3.46Å; K824-D828 PolarHBondContact O-N 3.15Å; T825-D828 PolarHBondContact O-N 2.97Å; M826-D828 VanDerWaalsContact C-N 3.35Å; D828-R831 PolarHBondContact O-N 3.12Å; D828-R831 IonicContact OD1-NH1 2.94Å; D828-S832 WeakPolarHBondContact O-CB 3.17Å; D828-S832 PolarHBondContact O-N 3.35Å
829L89.4Confident90.2Very high42 Ų4270.2 Ų70.222%0.2235%0.347CS..Hα-helixtrans-60.8-45.8170.5-78.6170.6000111.8Q784 T825 M826 R831 S832 Y833Q784-L829 HydrophobicContact CB-CD1 3.87Å; T825-L829 WeakPolarHBondContact O-CG 3.49Å; T825-L829 PolarHBondContact O-N 3.47Å; M826-L829 PolarHBondContact O-N 2.86Å; M826-L829 HydrophobicContact SD-CD1 4.15Å; L829-R831 VanDerWaalsContact C-N 3.31Å; L829-R831 PolarHBondContact O-N 2.7Å; L829-S832 PolarHBondContact O-N 2.86Å; L829-Y833 VanDerWaalsContact O-CB 3.29Å; L829-Y833 WeakPolarHBondContact O-CB 3.14Å; L829-Y833 PolarHBondContact O-N 2.83Å
830D86.9Confident89.9Confident42 Ų4274.7 Ų74.723%0.22536%0.364CS..Hα-helixtrans-59-41.9175-177.660.5000112.2P787 M826 D827 K834P787-D830 HydrophobicContact CB-CB 4.21Å; P787-D830 HydrophobicContact CG-CB 4.17Å; M826-D830 PolarHBondContact O-N 3.33Å; D827-D830 PolarHBondContact O-N 3.02Å; D830-K834 VanDerWaalsContact CG-NZ 3.31Å; D830-K834 WeakPolarHBondContact O-CB 3.46Å; D830-K834 WeakPolarHBondContact O-CG 3.39Å; D830-K834 PolarHBondContact O-N 3.02Å; D830-K834 VanDerWaalsContact O-N 3.12Å; D830-K834 VanDerWaalsContact OD1-CE 3.24Å; D830-K834 WeakPolarHBondContact OD1-CE 3.37Å; D830-K834 IonicContact OD1-NZ 2.77Å; D830-K834 PolarHBondContact OD1-NZ 3.3Å; D830-K834 VanDerWaalsContact OD1-NZ 3.16Å; D830-K834 WeakPolarHBondContact OD2-CE 3.31Å; D830-K834 IonicContact OD2-NZ 3.71Å; D830-K834 PolarHBondContact OD2-NZ 3.01Å
831R87.4Confident89.6Confident174 Ų17468.8 Ų68.866%0.65734%0.338SS*.Hα-helixtrans-65.7-45.5176.3-169.4-178.1-62.1158.76.4112.2D827 D828 L829 K834 A835D827-R831 WeakPolarHBondContact O-CB 3.44Å; D827-R831 PolarHBondContact O-N 2.66Å; D828-R831 PolarHBondContact O-N 3.12Å; D828-R831 IonicContact OD1-NH1 2.94Å; L829-R831 VanDerWaalsContact C-N 3.31Å; L829-R831 PolarHBondContact O-N 2.7Å; R831-K834 PolarHBondContact O-N 3.22Å; R831-A835 PolarHBondContact O-N 2.86Å; R831-A835 VanDerWaalsContact O-N 3.08Å
832S88.3Confident89.3Confident66 Ų6667.9 Ų67.946%0.46233%0.326SS..Hα-helixtrans-63.3-45.9179.4-166.70000111.1D828 L829 K834 A835 D836D828-S832 WeakPolarHBondContact O-CB 3.17Å; D828-S832 PolarHBondContact O-N 3.35Å; L829-S832 PolarHBondContact O-N 2.86Å; S832-K834 VanDerWaalsContact C-N 3.35Å; S832-K834 PolarHBondContact O-N 2.97Å; S832-A835 WeakPolarHBondContact O-CB 3.46Å; S832-A835 PolarHBondContact O-N 2.79Å; S832-A835 VanDerWaalsContact O-N 3.09Å; S832-D836 PolarHBondContact O-N 2.88Å
833Y85.7Confident89.1Confident102 Ų10271 Ų7140%0.434%0.34SS..Hα-helixtrans-59-44.9179-176.4-104000112.1P787 L829 A835 D836 I837P787-Y833 VanDerWaalsContact CD-CG 3.48Å; P787-Y833 HydrophobicContact CG-CD1 3.82Å; P787-Y833 HydrophobicContact CG-CG 3.71Å; L829-Y833 VanDerWaalsContact O-CB 3.29Å; L829-Y833 WeakPolarHBondContact O-CB 3.14Å; L829-Y833 PolarHBondContact O-N 2.83Å; Y833-A835 VanDerWaalsContact C-N 3.32Å; Y833-A835 PolarHBondContact O-N 3.49Å; Y833-D836 PolarHBondContact O-N 3.25Å; Y833-I837 HydrophobicContact CD1-CD1 3.8Å; Y833-I837 HydrophobicContact CE1-CD1 3.34Å; Y833-I837 HydrophobicContact CE1-CG1 4.37Å; Y833-I837 WeakPolarHBondContact O-CG1 2.98Å; Y833-I837 PolarHBondContact O-N 2.67Å
834K84.2Confident88.8Confident105 Ų10569.8 Ų69.846%0.45733%0.334SS..Hα-helixtrans-64-34.9175.4-74.2170.7179.3163.60112.8D830 R831 S832 Q838D830-K834 VanDerWaalsContact CG-NZ 3.31Å; D830-K834 WeakPolarHBondContact O-CB 3.46Å; D830-K834 WeakPolarHBondContact O-CG 3.39Å; D830-K834 PolarHBondContact O-N 3.02Å; D830-K834 VanDerWaalsContact O-N 3.12Å; D830-K834 VanDerWaalsContact OD1-CE 3.24Å; D830-K834 WeakPolarHBondContact OD1-CE 3.37Å; D830-K834 IonicContact OD1-NZ 2.77Å; D830-K834 PolarHBondContact OD1-NZ 3.3Å; D830-K834 VanDerWaalsContact OD1-NZ 3.16Å; D830-K834 WeakPolarHBondContact OD2-CE 3.31Å; D830-K834 IonicContact OD2-NZ 3.71Å; D830-K834 PolarHBondContact OD2-NZ 3.01Å; R831-K834 PolarHBondContact O-N 3.22Å; S832-K834 VanDerWaalsContact C-N 3.35Å; S832-K834 PolarHBondContact O-N 2.97Å; K834-Q838 WeakPolarHBondContact O-CB 3.03Å; K834-Q838 PolarHBondContact O-N 2.62Å; K834-Q838 VanDerWaalsContact O-N 3.08Å
835A86.4Confident88.7Confident48 Ų4863.4 Ų63.440%0.39731%0.307SS..Hα-helixtrans-70-39.1176.300000112.1R831 S832 Y833 Q838 K839R831-A835 PolarHBondContact O-N 2.86Å; R831-A835 VanDerWaalsContact O-N 3.08Å; S832-A835 WeakPolarHBondContact O-CB 3.46Å; S832-A835 PolarHBondContact O-N 2.79Å; S832-A835 VanDerWaalsContact O-N 3.09Å; Y833-A835 VanDerWaalsContact C-N 3.32Å; Y833-A835 PolarHBondContact O-N 3.49Å; A835-Q838 WeakPolarHBondContact O-CB 3.47Å; A835-Q838 PolarHBondContact O-N 3Å; A835-K839 PolarHBondContact O-N 3.08Å
836D87.4Confident88.5Confident78 Ų7864.9 Ų64.942%0.41731%0.308SS..Hα-helixtrans-66.5-42.8176.8-75.4-21000112S832 Y833 Q838 K839 R840S832-D836 PolarHBondContact O-N 2.88Å; Y833-D836 PolarHBondContact O-N 3.25Å; D836-Q838 VanDerWaalsContact C-N 3.31Å; D836-Q838 PolarHBondContact O-N 2.85Å; D836-K839 PolarHBondContact O-N 3.41Å; D836-R840 PolarHBondContact O-N 3.18Å
837I86.1Confident88.5Confident3 Ų370.5 Ų70.52%0.01533%0.334CS..Hα-helixtrans-57.9-47.1171.2-67.9169.5000109.7Y833 K839 R840 V841 A866Y833-I837 HydrophobicContact CD1-CD1 3.8Å; Y833-I837 HydrophobicContact CE1-CD1 3.34Å; Y833-I837 HydrophobicContact CE1-CG1 4.37Å; Y833-I837 WeakPolarHBondContact O-CG1 2.98Å; Y833-I837 PolarHBondContact O-N 2.67Å; I837-K839 VanDerWaalsContact C-N 3.28Å; I837-K839 PolarHBondContact O-N 3.31Å; I837-R840 PolarHBondContact O-N 2.96Å; I837-V841 HydrophobicContact CG2-CG2 3.92Å; I837-V841 VanDerWaalsContact O-CB 3.31Å; I837-V841 WeakPolarHBondContact O-CB 3.45Å; I837-V841 WeakPolarHBondContact O-CG2 3.37Å; I837-V841 PolarHBondContact O-N 3.47Å; I837-A866 HydrophobicContact CG2-CB 4.02Å
838Q87.3Confident88.5Confident33 Ų3369.7 Ų69.715%0.15433%0.328CS..Hα-helixtrans-57.9-41.3178.5178173.41.300112K834 A835 D836 L842 A870 E873K834-Q838 WeakPolarHBondContact O-CB 3.03Å; K834-Q838 PolarHBondContact O-N 2.62Å; K834-Q838 VanDerWaalsContact O-N 3.08Å; A835-Q838 WeakPolarHBondContact O-CB 3.47Å; A835-Q838 PolarHBondContact O-N 3Å; D836-Q838 VanDerWaalsContact C-N 3.31Å; D836-Q838 PolarHBondContact O-N 2.85Å; Q838-L842 HydrophobicContact CG-CD1 4.23Å; Q838-L842 VanDerWaalsContact O-CG 3.28Å; Q838-L842 WeakPolarHBondContact O-CG 3.44Å; Q838-L842 PolarHBondContact O-N 3.42Å; Q838-L842 VanDerWaalsContact O-N 3.09Å; Q838-A870 HydrophobicContact CB-CB 3.99Å; Q838-A870 HydrophobicContact CG-CB 3.78Å; Q838-E873 PolarHBondContact NE2-OE1 2.81Å; Q838-E873 PolarHBondContact NE2-OE2 3.07Å
839K88.6Confident88.5Confident125 Ų12566.9 Ų66.954%0.54331%0.313SS..Hα-helixtrans-63.8-48.3177.4-173.7-177.4171.7-168.40111.8A835 D836 I837 V841 L842 E843A835-K839 PolarHBondContact O-N 3.08Å; D836-K839 PolarHBondContact O-N 3.41Å; I837-K839 VanDerWaalsContact C-N 3.28Å; I837-K839 PolarHBondContact O-N 3.31Å; K839-V841 PolarHBondContact O-N 3.28Å; K839-L842 PolarHBondContact O-N 2.9Å; K839-E843 WeakPolarHBondContact CE-OE1 3.37Å; K839-E843 IonicContact NZ-OE1 2.77Å; K839-E843 WeakPolarHBondContact O-CG 3.36Å; K839-E843 PolarHBondContact O-N 2.94Å
840R89.3Confident88.5Confident97 Ų9771.6 Ų71.637%0.36633%0.333SS..Hα-helixtrans-63.2-41178.4-71.6-168.6-62.8-925112.7D836 I837 L842 E843 K844 E863D836-R840 PolarHBondContact O-N 3.18Å; I837-R840 PolarHBondContact O-N 2.96Å; R840-L842 VanDerWaalsContact C-N 3.29Å; R840-L842 PolarHBondContact O-N 3.32Å; R840-E843 PolarHBondContact O-N 3.04Å; R840-K844 WeakPolarHBondContact O-CB 3.17Å; R840-K844 PolarHBondContact O-N 3.27Å; R840-E863 WeakPolarHBondContact CB-OE2 3.22Å; R840-E863 IonicContact CZ-OE1 3.53Å; R840-E863 VanDerWaalsContact CZ-OE1 3.26Å; R840-E863 IonicContact CZ-OE2 2.75Å; R840-E863 IonicContact NE-OE1 3.96Å; R840-E863 PolarHBondContact NE-OE1 2.63Å; R840-E863 IonicContact NE-OE2 2.72Å; R840-E863 PolarHBondContact NE-OE2 2.84Å; R840-E863 IonicContact NH2-OE1 3.4Å; R840-E863 PolarHBondContact NH2-OE1 2.97Å; R840-E863 IonicContact NH2-OE2 3.69Å
841V90.1Very high88.7Confident1 Ų175.3 Ų75.31%0.00635%0.353CS..Hα-helixtrans-57.8-42.5173.8167.40000111I837 K839 T845 M862 E863 A866 A870I837-V841 HydrophobicContact CG2-CG2 3.92Å; I837-V841 VanDerWaalsContact O-CB 3.31Å; I837-V841 WeakPolarHBondContact O-CB 3.45Å; I837-V841 WeakPolarHBondContact O-CG2 3.37Å; I837-V841 PolarHBondContact O-N 3.47Å; K839-V841 PolarHBondContact O-N 3.28Å; V841-T845 PolarHBondContact O-N 3.29Å; V841-T845 VanDerWaalsContact O-N 3.13Å; V841-T845 PolarHBondContact O-OG1 3.21Å; V841-M862 HydrophobicContact CB-CE 4.26Å; V841-M862 HydrophobicContact CG1-CB 4.43Å; V841-M862 HydrophobicContact CG1-CE 3.39Å; V841-M862 WeakPolarHBondContact O-CE 3.37Å; V841-E863 HydrophobicContact CG2-CB 3.84Å; V841-A866 HydrophobicContact CG2-CB 3.66Å; V841-A870 HydrophobicContact CB-CB 4.5Å; V841-A870 HydrophobicContact CG1-CB 4.04Å
842L89.7Confident88.8Confident37 Ų3770.4 Ų70.419%0.19434%0.34CS..Hα-helixtrans-71.5-39.4177.1-71.4170.6000113Q838 K839 R840 T845 K846 E873Q838-L842 HydrophobicContact CG-CD1 4.23Å; Q838-L842 VanDerWaalsContact O-CG 3.28Å; Q838-L842 WeakPolarHBondContact O-CG 3.44Å; Q838-L842 PolarHBondContact O-N 3.42Å; Q838-L842 VanDerWaalsContact O-N 3.09Å; K839-L842 PolarHBondContact O-N 2.9Å; R840-L842 VanDerWaalsContact C-N 3.29Å; R840-L842 PolarHBondContact O-N 3.32Å; L842-T845 WeakPolarHBondContact O-CB 3.37Å; L842-T845 PolarHBondContact O-N 3.14Å; L842-K846 WeakPolarHBondContact O-CG 3.4Å; L842-K846 PolarHBondContact O-N 3.14Å; L842-E873 HydrophobicContact CD2-CB 3.86Å
843E89.9Confident88.6Confident86 Ų8671.3 Ų71.340%0.40235%0.345SS..Hα-helixtrans-62.4-47.9175.4-76.1171.5173.400111.1K839 R840 T845 K846 E847K839-E843 WeakPolarHBondContact CE-OE1 3.37Å; K839-E843 IonicContact NZ-OE1 2.77Å; K839-E843 WeakPolarHBondContact O-CG 3.36Å; K839-E843 PolarHBondContact O-N 2.94Å; R840-E843 PolarHBondContact O-N 3.04Å; E843-T845 PolarHBondContact O-N 3.26Å; E843-K846 WeakPolarHBondContact O-CB 3.5Å; E843-K846 PolarHBondContact O-N 2.58Å; E843-E847 PolarHBondContact O-N 2.86Å
844K89.4Confident88.8Confident91 Ų9169.3 Ų69.340%0.39634%0.341SS..Hα-helixtrans-55.7-40.4173.2-172.4-178.9-178.5-174.80112R840 E848 M860 E861R840-K844 WeakPolarHBondContact O-CB 3.17Å; R840-K844 PolarHBondContact O-N 3.27Å; K844-E848 WeakPolarHBondContact O-CB 3.35Å; K844-E848 PolarHBondContact O-N 3.03Å; K844-E848 VanDerWaalsContact O-N 3.08Å; K844-M860 HydrophobicContact CD-SD 4.34Å; K844-M860 HydrophobicContact CG-SD 4.41Å; K844-E861 PolarHBondContact NZ-O 3.13Å
845T90.5Very high89Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-65.4-39.7176.6-53.90000112V841 L842 E843 E848 I849 M862 S874 L877 L878V841-T845 PolarHBondContact O-N 3.29Å; V841-T845 VanDerWaalsContact O-N 3.13Å; V841-T845 PolarHBondContact O-OG1 3.21Å; L842-T845 WeakPolarHBondContact O-CB 3.37Å; L842-T845 PolarHBondContact O-N 3.14Å; E843-T845 PolarHBondContact O-N 3.26Å; T845-E848 PolarHBondContact O-N 3.46Å; T845-I849 HydrophobicContact CG2-CD1 4.11Å; T845-I849 WeakPolarHBondContact O-CD1 3.48Å; T845-I849 VanDerWaalsContact O-CG1 3.27Å; T845-I849 WeakPolarHBondContact O-CG1 3.27Å; T845-I849 PolarHBondContact O-N 3.21Å; T845-I849 VanDerWaalsContact O-N 3.13Å; T845-M862 VanDerWaalsContact OG1-CE 3.26Å; T845-M862 WeakPolarHBondContact OG1-CE 3.44Å; T845-S874 WeakPolarHBondContact OG1-CB 3.3Å; T845-S874 PolarHBondContact OG1-OG 2.94Å; T845-L877 HydrophobicContact CG2-CD2 4.03Å; T845-L878 HydrophobicContact CG2-CD1 4.06Å; T845-L878 HydrophobicContact CG2-CG 3.9Å
846K90.6Very high89.1Confident97 Ų9767.9 Ų67.942%0.42233%0.334SS..Hα-helixtrans-64.1-47.8176.1-73.8176.3-178.7178.60111.6L842 E843 E848 I849 E850 L877L842-K846 WeakPolarHBondContact O-CG 3.4Å; L842-K846 PolarHBondContact O-N 3.14Å; E843-K846 WeakPolarHBondContact O-CB 3.5Å; E843-K846 PolarHBondContact O-N 2.58Å; K846-E848 VanDerWaalsContact C-N 3.26Å; K846-E848 PolarHBondContact O-N 2.76Å; K846-I849 PolarHBondContact O-N 2.77Å; K846-I849 VanDerWaalsContact O-N 3.13Å; K846-E850 WeakPolarHBondContact O-CG 3.4Å; K846-E850 PolarHBondContact O-N 3.21Å; K846-L877 HydrophobicContact CB-CD2 4.46Å; K846-L877 HydrophobicContact CG-CD2 3.44Å; K846-L877 VanDerWaalsContact CG-CD2 3.44Å
847E90.7Very high89.3Confident119 Ų11965.6 Ų65.656%0.55632%0.322SS*.Hα-helixtrans-57.5-42.2178-71.4177.6179.200111.2E843 I849 E850 N851E843-E847 PolarHBondContact O-N 2.86Å; E847-I849 PolarHBondContact O-N 3.16Å; E847-E850 PolarHBondContact O-N 3.01Å; E847-N851 WeakPolarHBondContact O-CB 3.44Å; E847-N851 VanDerWaalsContact O-CG 3.27Å; E847-N851 PolarHBondContact O-N 3.14Å; E847-N851 PolarHBondContact O-ND2 2.94Å; E847-N851 VanDerWaalsContact O-ND2 3.11Å
848E90.1Very high89.6Confident49 Ų4966 Ų6623%0.22932%0.324CS..Hα-helixtrans-64.3-39.3177.3-169.856.4-13800112.5K844 T845 K846 N852 Q855 L858 M860K844-E848 WeakPolarHBondContact O-CB 3.35Å; K844-E848 PolarHBondContact O-N 3.03Å; K844-E848 VanDerWaalsContact O-N 3.08Å; T845-E848 PolarHBondContact O-N 3.46Å; K846-E848 VanDerWaalsContact C-N 3.26Å; K846-E848 PolarHBondContact O-N 2.76Å; E848-N852 PolarHBondContact O-N 3.18Å; E848-N852 PolarHBondContact OE1-ND2 2.98Å; E848-Q855 PolarHBondContact OE1-NE2 2.93Å; E848-L858 HydrophobicContact CG-CD1 3.81Å; E848-L858 HydrophobicContact CG-CD2 3.94Å; E848-M860 HydrophobicContact CB-CE 4.46Å; E848-M860 HydrophobicContact CG-CE 4.31Å
849I90.5Very high90Very high10 Ų1066.2 Ų66.25%0.05133%0.326CS..Hα-helixtrans-66-42.7175.3-69164.6000111.4T845 K846 E847 N852 P853 L877 L878 Q881T845-I849 HydrophobicContact CG2-CD1 4.11Å; T845-I849 WeakPolarHBondContact O-CD1 3.48Å; T845-I849 VanDerWaalsContact O-CG1 3.27Å; T845-I849 WeakPolarHBondContact O-CG1 3.27Å; T845-I849 PolarHBondContact O-N 3.21Å; T845-I849 VanDerWaalsContact O-N 3.13Å; K846-I849 PolarHBondContact O-N 2.77Å; K846-I849 VanDerWaalsContact O-N 3.13Å; E847-I849 PolarHBondContact O-N 3.16Å; I849-N852 CarbonylContact O-C 3.54Å; I849-P853 VanDerWaalsContact O-CA 3.31Å; I849-P853 WeakPolarHBondContact O-CA 3.38Å; I849-P853 VanDerWaalsContact O-N 3.15Å; I849-L877 HydrophobicContact CD1-CD2 4Å; I849-L877 HydrophobicContact CD1-CG 3.86Å; I849-L878 HydrophobicContact CD1-CD2 3.79Å; I849-L878 HydrophobicContact CD1-CG 4.01Å; I849-L878 HydrophobicContact CG1-CD2 3.52Å; I849-L878 HydrophobicContact CG1-CG 4.29Å; I849-Q881 HydrophobicContact CD1-CB 4.39Å; I849-Q881 HydrophobicContact CG2-CB 3.89Å
850E89.8Confident90.1Very high140 Ų14061 Ų6165%0.65430%0.303SS*.Hα-helixtrans-67.7-39-178.8-73.8176.1-173.800112K846 E847K846-E850 WeakPolarHBondContact O-CG 3.4Å; K846-E850 PolarHBondContact O-N 3.21Å; E847-E850 PolarHBondContact O-N 3.01Å
851N90.1Very high90.3Very high120 Ų12059.6 Ų59.664%0.64230%0.301SS*.Hα-helixtrans-72.4-37177.8-70.9-33.6000112.5E847E847-N851 WeakPolarHBondContact O-CB 3.44Å; E847-N851 VanDerWaalsContact O-CG 3.27Å; E847-N851 PolarHBondContact O-N 3.14Å; E847-N851 PolarHBondContact O-ND2 2.94Å; E847-N851 VanDerWaalsContact O-ND2 3.11Å
852N89.8Confident90.4Very high72 Ų7259.6 Ų59.639%0.38530%0.301SS..SBendtrans-132.663.9-173.1-61-60.8000112.5E848 I849 N854 Q855E848-N852 PolarHBondContact O-N 3.18Å; E848-N852 PolarHBondContact OE1-ND2 2.98Å; I849-N852 CarbonylContact O-C 3.54Å; N852-N854 PolarHBondContact O-N 2.95Å; N852-Q855 HydrophobicContact CB-CB 4.25Å; N852-Q855 HydrophobicContact CB-CG 4.19Å; N852-Q855 PolarHBondContact O-N 3Å
853P85.8Confident90.3Very high85 Ų8560.8 Ų60.855%0.55231%0.306SS*.THydrogen-bonded Turntrans-66.3131.6-175.226.7-34.4000111.5I849 Q855I849-P853 VanDerWaalsContact O-CA 3.31Å; I849-P853 WeakPolarHBondContact O-CA 3.38Å; I849-P853 VanDerWaalsContact O-N 3.15Å; P853-Q855 PolarHBondContact O-N 3.47Å
854N87.9Confident90.1Very high60 Ų6060 Ų6032%0.32131%0.307SS..THydrogen-bonded Turntrans5729.5-179-63.6-62.9000114.7N852 S882 P883 Q884N852-N854 PolarHBondContact O-N 2.95Å; N854-S882 WeakPolarHBondContact CA-OG 3.4Å; N854-S882 PolarHBondContact N-OG 3.39Å; N854-S882 WeakPolarHBondContact OD1-CA 3.11Å; N854-P883 VanDerWaalsContact OD1-CD 3.27Å; N854-P883 WeakPolarHBondContact OD1-CD 3.46Å; N854-Q884 HydrophobicContact CB-CB 4.11Å; N854-Q884 PolarHBondContact OD1-N 3.02Å
855Q90.1Very high89.6Confident45 Ų4556.9 Ų56.921%0.2130%0.301CS..  trans-57.9140.6170.664.7-178.6-27.700110.8E848 N852 P853 L857 T885E848-Q855 PolarHBondContact OE1-NE2 2.93Å; N852-Q855 HydrophobicContact CB-CB 4.25Å; N852-Q855 HydrophobicContact CB-CG 4.19Å; N852-Q855 PolarHBondContact O-N 3Å; P853-Q855 PolarHBondContact O-N 3.47Å; Q855-L857 VanDerWaalsContact C-N 3.29Å; Q855-L857 PolarHBondContact O-N 2.76Å; Q855-T885 HydrophobicContact CG-CG2 4.19Å; Q855-T885 VanDerWaalsContact O-CA 3.26Å; Q855-T885 WeakPolarHBondContact O-CA 3.44Å; Q855-T885 VanDerWaalsContact O-CB 3.24Å; Q855-T885 WeakPolarHBondContact O-CB 3.38Å; Q855-T885 WeakPolarHBondContact O-CG2 3.49Å; Q855-T885 PolarHBondContact O-OG1 3.48Å
856P87.5Confident89.4Confident77 Ų7757.2 Ų57.250%0.530%0.303SS..SBendtrans-60.3-35.6-172.7-26.434.5000114.4A886P856-A886 PolarHBondContact O-N 3.42Å; P856-A886 VanDerWaalsContact O-N 3.1Å
857L91.8Very high89.3Confident31 Ų3154.9 Ų54.916%0.16230%0.299CS..EExtended strand (participates in β ladder)trans-142.2131.8-173-176.767.8000110.3Q855 I859 A886 L914 W919 A959Q855-L857 VanDerWaalsContact C-N 3.29Å; Q855-L857 PolarHBondContact O-N 2.76Å; L857-I859 HydrophobicContact CD1-CD1 4.36Å; L857-I859 HydrophobicContact CD1-CG1 4.26Å; L857-I859 HydrophobicContact CD2-CD1 4.09Å; L857-I859 HydrophobicContact CG-CD1 4.26Å; L857-I859 HydrophobicContact CG-CG1 4.21Å; L857-A886 CarbonylContact C-O 3.53Å; L857-A886 WeakPolarHBondContact CA-O 3.35Å; L857-A886 HydrophobicContact CD1-CB 4.28Å; L857-L914 HydrophobicContact CD1-CD2 4.46Å; L857-W919 HydrophobicContact CD1-CH2 3.54Å; L857-W919 HydrophobicContact CD1-CZ2 3.78Å; L857-A959 HydrophobicContact CD1-CB 3.6Å; L857-A959 HydrophobicContact CD2-CB 3.54Å; L857-A959 HydrophobicContact CG-CB 4.23Å
858L93.4Very high89.1Confident11 Ų1151.3 Ų51.36%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-129.7118173.5175.258.5000110.1E848 M860 L878 T885 A886 A887 M888E848-L858 HydrophobicContact CG-CD1 3.81Å; E848-L858 HydrophobicContact CG-CD2 3.94Å; L858-M860 HydrophobicContact CD1-CB 4.19Å; L858-M860 HydrophobicContact CD1-CE 4.3Å; L858-M860 HydrophobicContact CD2-CE 3.97Å; L858-M860 HydrophobicContact CG-CE 4.36Å; L858-L878 HydrophobicContact CD2-CD1 4.01Å; L858-L878 HydrophobicContact CD2-CD2 3.64Å; L858-L878 HydrophobicContact CD2-CG 4.49Å; L858-T885 HydrophobicContact CB-CG2 3.66Å; L858-A886 PolarHBondContact N-O 3.4Å; L858-A887 HydrophobicContact CB-CB 4.4Å; L858-A887 CarbonylContact O-C 3.56Å; L858-A887 WeakPolarHBondContact O-CA 3.49Å; L858-M888 PolarHBondContact O-N 2.65Å
859I94Very high89Confident38 Ų3855 Ų5520%0.19531%0.306CS..EExtended strand (participates in β ladder)trans-125118.9174.7-56.7172.3000107.1L857 M888 F890 W919 L952 A955 N956L857-I859 HydrophobicContact CD1-CD1 4.36Å; L857-I859 HydrophobicContact CD1-CG1 4.26Å; L857-I859 HydrophobicContact CD2-CD1 4.09Å; L857-I859 HydrophobicContact CG-CD1 4.26Å; L857-I859 HydrophobicContact CG-CG1 4.21Å; I859-M888 WeakPolarHBondContact CA-O 3.43Å; I859-F890 HydrophobicContact CG2-CD2 4.31Å; I859-F890 HydrophobicContact CG2-CE2 3.85Å; I859-W919 HydrophobicContact CD1-CZ2 3.75Å; I859-W919 HydrophobicContact CG1-CH2 4.21Å; I859-W919 HydrophobicContact CG1-CZ2 3.81Å; I859-L952 HydrophobicContact CG2-CD2 3.66Å; I859-A955 VanDerWaalsContact CD1-C 3.5Å; I859-A955 HydrophobicContact CD1-CB 3.97Å; I859-A955 HydrophobicContact CG2-CB 4.19Å; I859-N956 HydrophobicContact CD1-CB 3.65Å; I859-N956 VanDerWaalsContact CD1-N 3.28Å
860M92.1Very high89Confident14 Ų1454.6 Ų54.67%0.06930%0.303CS..EExtended strand (participates in β ladder)trans-141.2137.8-167175.9168.438.300112.3K844 E848 L858 M862 M888 L889 F890K844-M860 HydrophobicContact CD-SD 4.34Å; K844-M860 HydrophobicContact CG-SD 4.41Å; E848-M860 HydrophobicContact CB-CE 4.46Å; E848-M860 HydrophobicContact CG-CE 4.31Å; L858-M860 HydrophobicContact CD1-CB 4.19Å; L858-M860 HydrophobicContact CD1-CE 4.3Å; L858-M860 HydrophobicContact CD2-CE 3.97Å; L858-M860 HydrophobicContact CG-CE 4.36Å; M860-M862 HydrophobicContact CB-SD 4.46Å; M860-M862 HydrophobicContact CE-CE 4.35Å; M860-M862 HydrophobicContact CE-SD 3.75Å; M860-M862 HydrophobicContact CG-SD 3.82Å; M860-M862 HydrophobicContact SD-SD 3.97Å; M860-M888 PolarHBondContact N-O 3.07Å; M860-L889 HydrophobicContact CB-CD2 4.05Å; M860-L889 HydrophobicContact CE-CD2 3.84Å; M860-L889 WeakPolarHBondContact O-CA 3.46Å; M860-F890 PolarHBondContact O-N 2.76Å
861E93.4Very high89.1Confident68 Ų6847.9 Ų47.932%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-78.4118.2162.2179.4176.8178.500109.9K844 L948 L952K844-E861 PolarHBondContact NZ-O 3.13Å; E861-L948 HydrophobicContact CG-CD2 3.86Å; E861-L948 WeakPolarHBondContact OE1-CD2 2.99Å; E861-L952 HydrophobicContact CB-CD1 4.27Å
862M91.5Very high89.2Confident2 Ų245.4 Ų45.41%0.0126%0.259CS..PPolyproline II helixtrans-84.7161.6170.5-52.1-50.3-71.400109.8V841 T845 M860 T864 A866 L871 L889 F890V841-M862 HydrophobicContact CB-CE 4.26Å; V841-M862 HydrophobicContact CG1-CB 4.43Å; V841-M862 HydrophobicContact CG1-CE 3.39Å; V841-M862 WeakPolarHBondContact O-CE 3.37Å; T845-M862 VanDerWaalsContact OG1-CE 3.26Å; T845-M862 WeakPolarHBondContact OG1-CE 3.44Å; M860-M862 HydrophobicContact CB-SD 4.46Å; M860-M862 HydrophobicContact CE-CE 4.35Å; M860-M862 HydrophobicContact CE-SD 3.75Å; M860-M862 HydrophobicContact CG-SD 3.82Å; M860-M862 HydrophobicContact SD-SD 3.97Å; M862-T864 PolarHBondContact O-N 3.37Å; M862-A866 HydrophobicContact CB-CB 4.47Å; M862-L871 HydrophobicContact CB-CD1 4.33Å; M862-L871 HydrophobicContact CG-CD1 4.28Å; M862-L871 HydrophobicContact CG-CG 4.25Å; M862-L889 HydrophobicContact CG-CB 3.88Å; M862-L889 HydrophobicContact CG-CD1 4.38Å; M862-L889 HydrophobicContact CG-CG 4.49Å; M862-L889 HydrophobicContact SD-CB 4.29Å; M862-L889 HydrophobicContact SD-CD1 4.14Å; M862-L889 HydrophobicContact SD-CD2 3.85Å; M862-L889 HydrophobicContact SD-CG 4.31Å; M862-F890 WeakPolarHBondContact CB-O 3.33Å; M862-F890 PolarHBondContact N-O 3.23Å
863E87.7Confident89.3Confident62 Ų6245 Ų4529%0.2925%0.254SS..PPolyproline II helixtrans-52.3134.9-179.8-167.5176.6157.800112.2R840 V841 G865 A866 T891R840-E863 WeakPolarHBondContact CB-OE2 3.22Å; R840-E863 IonicContact CZ-OE1 3.53Å; R840-E863 VanDerWaalsContact CZ-OE1 3.26Å; R840-E863 IonicContact CZ-OE2 2.75Å; R840-E863 IonicContact NE-OE1 3.96Å; R840-E863 PolarHBondContact NE-OE1 2.63Å; R840-E863 IonicContact NE-OE2 2.72Å; R840-E863 PolarHBondContact NE-OE2 2.84Å; R840-E863 IonicContact NH2-OE1 3.4Å; R840-E863 PolarHBondContact NH2-OE1 2.97Å; R840-E863 IonicContact NH2-OE2 3.69Å; V841-E863 HydrophobicContact CG2-CB 3.84Å; E863-G865 PolarHBondContact O-N 3.03Å; E863-A866 WeakPolarHBondContact O-CB 3.27Å; E863-A866 PolarHBondContact O-N 2.98Å; E863-T891 PolarHBondContact O-OG1 2.73Å
864T85.1Confident89.7Confident69 Ų6940.9 Ų40.942%0.42323%0.228SC..THydrogen-bonded Turntrans-51.9133.3177.3-52.10000111.1M862 A866 V892 P894M862-T864 PolarHBondContact O-N 3.37Å; T864-A866 VanDerWaalsContact C-N 3.32Å; T864-V892 CarbonylContact C-O 3.57Å; T864-V892 WeakPolarHBondContact CA-O 3.37Å; T864-V892 VanDerWaalsContact CG2-O 3.26Å; T864-V892 WeakPolarHBondContact CG2-O 3.48Å; T864-P894 VanDerWaalsContact CG2-CD 3.43Å; T864-P894 HydrophobicContact CG2-CG 3.62Å
865G79.4Confident90Very high26 Ų2638.3 Ų38.327%0.26821%0.214SC..THydrogen-bonded Turntrans81.73.7-17700000114.7E863 S867 V892E863-G865 PolarHBondContact O-N 3.03Å; G865-S867 PolarHBondContact O-N 3.14Å; G865-V892 PolarHBondContact N-O 3.1Å
866A87Confident90.1Very high7 Ų742.8 Ų42.86%0.05823%0.233CC..  trans-59.4133.2173.200000111.7I837 V841 M862 E863 T864 L871 T891I837-A866 HydrophobicContact CG2-CB 4.02Å; V841-A866 HydrophobicContact CG2-CB 3.66Å; M862-A866 HydrophobicContact CB-CB 4.47Å; E863-A866 WeakPolarHBondContact O-CB 3.27Å; E863-A866 PolarHBondContact O-N 2.98Å; T864-A866 VanDerWaalsContact C-N 3.32Å; A866-L871 HydrophobicContact CB-CD1 3.71Å; A866-T891 HydrophobicContact CB-CG2 4.49Å; A866-T891 PolarHBondContact N-OG1 3.39Å; A866-T891 VanDerWaalsContact O-CG2 3.31Å; A866-T891 WeakPolarHBondContact O-CG2 3.36Å; A866-T891 PolarHBondContact O-OG1 3.03Å
867S87.3Confident90.3Very high47 Ų4740.3 Ų40.333%0.32922%0.215SC..  trans-75.7154.8178.971.70000112.1G865 K869 A870 L871G865-S867 PolarHBondContact O-N 3.14Å; S867-K869 PolarHBondContact O-N 3.27Å; S867-A870 WeakPolarHBondContact O-CA 3.49Å; S867-A870 WeakPolarHBondContact O-CB 3.4Å; S867-A870 PolarHBondContact O-N 2.78Å; S867-A870 PolarHBondContact OG-N 3.43Å; S867-L871 WeakPolarHBondContact O-CD1 3.42Å; S867-L871 PolarHBondContact O-N 3.4Å; S867-L871 VanDerWaalsContact O-N 3.14Å
868A87.3Confident90.3Very high45 Ų4539.1 Ų39.137%0.37221%0.209SC..Hα-helixtrans-56.3-25.9172.300000113.2N872A868-N872 WeakPolarHBondContact O-CB 3.36Å; A868-N872 PolarHBondContact O-N 3.39Å; A868-N872 PolarHBondContact O-ND2 2.96Å
869K88.5Confident90.2Very high127 Ų12744.5 Ų44.555%0.55223%0.232SC*.Hα-helixtrans-66.8-45.7172.5-174.9-174.9175.5-167.60111.2S867 L871 N872 E873S867-K869 PolarHBondContact O-N 3.27Å; K869-L871 VanDerWaalsContact C-N 3.34Å; K869-L871 PolarHBondContact O-N 3.01Å; K869-N872 PolarHBondContact O-N 3.27Å; K869-E873 VanDerWaalsContact CE-OE1 3.26Å; K869-E873 WeakPolarHBondContact CE-OE1 3.41Å; K869-E873 PolarHBondContact O-N 3.12Å
870A89.8Confident90.1Very high0 Ų046.6 Ų46.60%025%0.25CS..Hα-helixtrans-61.9-41.4177.700000111.8Q838 V841 S867 E873 S874Q838-A870 HydrophobicContact CB-CB 3.99Å; Q838-A870 HydrophobicContact CG-CB 3.78Å; V841-A870 HydrophobicContact CB-CB 4.5Å; V841-A870 HydrophobicContact CG1-CB 4.04Å; S867-A870 WeakPolarHBondContact O-CA 3.49Å; S867-A870 WeakPolarHBondContact O-CB 3.4Å; S867-A870 PolarHBondContact O-N 2.78Å; S867-A870 PolarHBondContact OG-N 3.43Å; A870-E873 PolarHBondContact O-N 3.19Å; A870-S874 WeakPolarHBondContact O-CB 3.45Å; A870-S874 PolarHBondContact O-N 2.83Å; A870-S874 PolarHBondContact O-OG 3.19Å
871L92.1Very high90.1Very high0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-63.7-44.3175.1-86.266.5000111.8M862 A866 S867 K869 E873 S874 L875 L889 T891 L902M862-L871 HydrophobicContact CB-CD1 4.33Å; M862-L871 HydrophobicContact CG-CD1 4.28Å; M862-L871 HydrophobicContact CG-CG 4.25Å; A866-L871 HydrophobicContact CB-CD1 3.71Å; S867-L871 WeakPolarHBondContact O-CD1 3.42Å; S867-L871 PolarHBondContact O-N 3.4Å; S867-L871 VanDerWaalsContact O-N 3.14Å; K869-L871 VanDerWaalsContact C-N 3.34Å; K869-L871 PolarHBondContact O-N 3.01Å; L871-E873 PolarHBondContact O-N 3.17Å; L871-S874 WeakPolarHBondContact O-CB 3.32Å; L871-S874 PolarHBondContact O-N 3.23Å; L871-L875 WeakPolarHBondContact O-CG 3.03Å; L871-L875 PolarHBondContact O-N 2.9Å; L871-L889 HydrophobicContact CD2-CB 4.23Å; L871-L889 HydrophobicContact CG-CB 4.17Å; L871-T891 HydrophobicContact CD1-CG2 3.75Å; L871-T891 HydrophobicContact CD2-CG2 3.7Å; L871-T891 HydrophobicContact CG-CG2 4.4Å; L871-L902 HydrophobicContact CB-CB 4.4Å; L871-L902 HydrophobicContact CB-CD1 4.27Å; L871-L902 HydrophobicContact CB-CD2 3.98Å; L871-L902 HydrophobicContact CB-CG 4.46Å; L871-L902 HydrophobicContact CD2-CD1 3.95Å
872N92Very high89.9Confident68 Ų6847.3 Ų47.336%0.36425%0.253SS..Hα-helixtrans-61.4-41.7176.6-90.5-57.4000112.9A868 K869 S874 L875 K876 L902A868-N872 WeakPolarHBondContact O-CB 3.36Å; A868-N872 PolarHBondContact O-N 3.39Å; A868-N872 PolarHBondContact O-ND2 2.96Å; K869-N872 PolarHBondContact O-N 3.27Å; N872-S874 VanDerWaalsContact C-N 3.34Å; N872-L875 PolarHBondContact O-N 3.15Å; N872-K876 WeakPolarHBondContact O-CG 3.43Å; N872-K876 PolarHBondContact O-N 2.77Å; N872-L902 HydrophobicContact CB-CD2 4.21Å; N872-L902 WeakPolarHBondContact ND2-CD2 3.48Å; N872-L902 WeakPolarHBondContact OD1-CD2 3.38Å
873E92.3Very high89.9Confident62 Ų6250.7 Ų50.729%0.2928%0.276SS..Hα-helixtrans-67.3-36.8176.9-72.9-178.7-170.200111.9Q838 L842 K869 A870 L871 K876 L877Q838-E873 PolarHBondContact NE2-OE1 2.81Å; Q838-E873 PolarHBondContact NE2-OE2 3.07Å; L842-E873 HydrophobicContact CD2-CB 3.86Å; K869-E873 VanDerWaalsContact CE-OE1 3.26Å; K869-E873 WeakPolarHBondContact CE-OE1 3.41Å; K869-E873 PolarHBondContact O-N 3.12Å; A870-E873 PolarHBondContact O-N 3.19Å; L871-E873 PolarHBondContact O-N 3.17Å; E873-K876 WeakPolarHBondContact O-CB 3.25Å; E873-K876 PolarHBondContact O-N 2.94Å; E873-L877 PolarHBondContact O-N 2.91Å
874S93.8Very high90Very high0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-62.8-43.9173.6-56.60000111.7T845 A870 L871 N872 K876 L877 L878T845-S874 WeakPolarHBondContact OG1-CB 3.3Å; T845-S874 PolarHBondContact OG1-OG 2.94Å; A870-S874 WeakPolarHBondContact O-CB 3.45Å; A870-S874 PolarHBondContact O-N 2.83Å; A870-S874 PolarHBondContact O-OG 3.19Å; L871-S874 WeakPolarHBondContact O-CB 3.32Å; L871-S874 PolarHBondContact O-N 3.23Å; N872-S874 VanDerWaalsContact C-N 3.34Å; S874-K876 PolarHBondContact O-N 3.17Å; S874-L877 WeakPolarHBondContact O-CB 3.36Å; S874-L877 PolarHBondContact O-N 3.14Å; S874-L878 PolarHBondContact O-N 3.01Å
875L93.5Very high90.4Very high5 Ų550.3 Ų50.33%0.02627%0.27CS..Hα-helixtrans-64.5-37.5174.4-71174.7000112.8L871 N872 L877 L878 K879 A887 L889 L902 Q904L871-L875 WeakPolarHBondContact O-CG 3.03Å; L871-L875 PolarHBondContact O-N 2.9Å; N872-L875 PolarHBondContact O-N 3.15Å; L875-L877 VanDerWaalsContact C-N 3.33Å; L875-L878 HydrophobicContact CD2-CD1 4.32Å; L875-L878 PolarHBondContact O-N 3.31Å; L875-K879 PolarHBondContact O-N 3.16Å; L875-A887 HydrophobicContact CD2-CB 3.82Å; L875-L889 HydrophobicContact CD2-CD1 3.9Å; L875-L889 HydrophobicContact CD2-CG 3.83Å; L875-L889 HydrophobicContact CG-CD1 3.88Å; L875-L889 HydrophobicContact CG-CG 4.25Å; L875-L902 HydrophobicContact CD1-CB 3.56Å; L875-L902 HydrophobicContact CD1-CD2 4.48Å; L875-Q904 HydrophobicContact CB-CB 4.29Å; L875-Q904 HydrophobicContact CD1-CB 4.3Å; L875-Q904 HydrophobicContact CD2-CB 3.98Å; L875-Q904 HydrophobicContact CG-CB 4.43Å; L875-Q904 PolarHBondContact O-OE1 2.97Å
876K92.8Very high91.1Very high139 Ų13949.1 Ų49.160%0.60426%0.257SS*.Hα-helixtrans-63-40.6173.1-75.4175.2-177.1178.20111.8N872 E873 S874 K879 S880N872-K876 WeakPolarHBondContact O-CG 3.43Å; N872-K876 PolarHBondContact O-N 2.77Å; E873-K876 WeakPolarHBondContact O-CB 3.25Å; E873-K876 PolarHBondContact O-N 2.94Å; S874-K876 PolarHBondContact O-N 3.17Å; K876-K879 WeakPolarHBondContact O-CB 3.46Å; K876-K879 PolarHBondContact O-N 3.27Å; K876-S880 PolarHBondContact O-N 3.34Å; K876-S880 VanDerWaalsContact O-N 3.13Å; K876-S880 PolarHBondContact O-OG 2.87Å
877L92.3Very high91.5Very high26 Ų2648.8 Ų48.814%0.13625%0.254CS..Hα-helixtrans-61.7-49.5176.3-175.670.7000110.6T845 K846 I849 E873 S874 L875 K879 S880 Q881T845-L877 HydrophobicContact CG2-CD2 4.03Å; K846-L877 HydrophobicContact CB-CD2 4.46Å; K846-L877 HydrophobicContact CG-CD2 3.44Å; K846-L877 VanDerWaalsContact CG-CD2 3.44Å; I849-L877 HydrophobicContact CD1-CD2 4Å; I849-L877 HydrophobicContact CD1-CG 3.86Å; E873-L877 PolarHBondContact O-N 2.91Å; S874-L877 WeakPolarHBondContact O-CB 3.36Å; S874-L877 PolarHBondContact O-N 3.14Å; L875-L877 VanDerWaalsContact C-N 3.33Å; L877-K879 VanDerWaalsContact C-N 3.32Å; L877-K879 PolarHBondContact O-N 3.43Å; L877-S880 PolarHBondContact O-N 3.5Å; L877-S880 PolarHBondContact O-OG 2.84Å; L877-Q881 HydrophobicContact CD1-CG 4.25Å; L877-Q881 PolarHBondContact O-N 2.8Å
878L91.6Very high91.9Very high5 Ų546.6 Ų46.63%0.02624%0.239CC..Hα-helixtrans-54.1-45.9174-78.7159.9000111.8T845 I849 L858 S874 L875 S880 S882 A887 L889T845-L878 HydrophobicContact CG2-CD1 4.06Å; T845-L878 HydrophobicContact CG2-CG 3.9Å; I849-L878 HydrophobicContact CD1-CD2 3.79Å; I849-L878 HydrophobicContact CD1-CG 4.01Å; I849-L878 HydrophobicContact CG1-CD2 3.52Å; I849-L878 HydrophobicContact CG1-CG 4.29Å; L858-L878 HydrophobicContact CD2-CD1 4.01Å; L858-L878 HydrophobicContact CD2-CD2 3.64Å; L858-L878 HydrophobicContact CD2-CG 4.49Å; S874-L878 PolarHBondContact O-N 3.01Å; L875-L878 HydrophobicContact CD2-CD1 4.32Å; L875-L878 PolarHBondContact O-N 3.31Å; L878-S880 VanDerWaalsContact C-N 3.25Å; L878-S880 PolarHBondContact O-N 2.83Å; L878-S882 CarbonylContact O-C 3.58Å; L878-S882 VanDerWaalsContact O-CA 3.27Å; L878-S882 WeakPolarHBondContact O-CA 3.05Å; L878-S882 PolarHBondContact O-N 3.46Å; L878-S882 VanDerWaalsContact O-O 3.09Å; L878-A887 HydrophobicContact CD1-CB 3.72Å; L878-L889 HydrophobicContact CD1-CD2 4.44Å
879K90.6Very high92.3Very high125 Ų12544.4 Ų44.454%0.54322%0.221SC..Hα-helixtrans-55.3-40.9175.2-163.8-174.9-164.5168.60113.2L875 K876 L877L875-K879 PolarHBondContact O-N 3.16Å; K876-K879 WeakPolarHBondContact O-CB 3.46Å; K876-K879 PolarHBondContact O-N 3.27Å; L877-K879 VanDerWaalsContact C-N 3.32Å; L877-K879 PolarHBondContact O-N 3.43Å
880S91.3Very high92.6Very high82 Ų8238.4 Ų38.457%0.57320%0.195SC*.Hα-helixtrans-82.6-37.6-171.365.70000113.2K876 L877 L878K876-S880 PolarHBondContact O-N 3.34Å; K876-S880 VanDerWaalsContact O-N 3.13Å; K876-S880 PolarHBondContact O-OG 2.87Å; L877-S880 PolarHBondContact O-N 3.5Å; L877-S880 PolarHBondContact O-OG 2.84Å; L878-S880 VanDerWaalsContact C-N 3.25Å; L878-S880 PolarHBondContact O-N 2.83Å
881Q92.1Very high92.8Very high95 Ų9538.5 Ų38.544%0.44420%0.196SC..Hα-helixtrans-105.3-21.6-172.8-62.9-173.90.800113.1I849 L877I849-Q881 HydrophobicContact CD1-CB 4.39Å; I849-Q881 HydrophobicContact CG2-CB 3.89Å; L877-Q881 HydrophobicContact CD1-CG 4.25Å; L877-Q881 PolarHBondContact O-N 2.8Å
882S91Very high92.9Very high2 Ų239.3 Ų39.31%0.01420%0.2CC..  trans-133.660.7178.8-158.30000110.9N854 L878 Q884 T885N854-S882 WeakPolarHBondContact CA-OG 3.4Å; N854-S882 PolarHBondContact N-OG 3.39Å; N854-S882 WeakPolarHBondContact OD1-CA 3.11Å; L878-S882 CarbonylContact O-C 3.58Å; L878-S882 VanDerWaalsContact O-CA 3.27Å; L878-S882 WeakPolarHBondContact O-CA 3.05Å; L878-S882 PolarHBondContact O-N 3.46Å; L878-S882 VanDerWaalsContact O-O 3.09Å; S882-Q884 PolarHBondContact O-N 2.78Å; S882-T885 WeakPolarHBondContact O-CB 3.4Å; S882-T885 PolarHBondContact O-N 3.15Å; S882-T885 PolarHBondContact O-OG1 2.86Å; S882-T885 PolarHBondContact OG-OG1 3Å
883P90.3Very high92.6Very high73 Ų7338.8 Ų38.847%0.47420%0.197SC..THydrogen-bonded Turntrans-63-16-167.125.6-36.8000115.2N854 P906N854-P883 VanDerWaalsContact OD1-CD 3.27Å; N854-P883 WeakPolarHBondContact OD1-CD 3.46Å; P883-P906 WeakPolarHBondContact O-CB 3.49Å; P883-P906 WeakPolarHBondContact O-CG 3.02Å
884Q90.1Very high92Very high115 Ų11539.6 Ų39.654%0.53721%0.208SC..THydrogen-bonded Turntrans-89.5-7.2177.9-60.9-177.42.300113.5N854 S882N854-Q884 HydrophobicContact CB-CB 4.11Å; N854-Q884 PolarHBondContact OD1-N 3.02Å; S882-Q884 PolarHBondContact O-N 2.78Å
885T92.7Very high91.1Very high8 Ų845.6 Ų45.65%0.04924%0.24CC..  trans-84.5121.7-176-57.90000111.7Q855 L858 S882 A887 P906Q855-T885 HydrophobicContact CG-CG2 4.19Å; Q855-T885 VanDerWaalsContact O-CA 3.26Å; Q855-T885 WeakPolarHBondContact O-CA 3.44Å; Q855-T885 VanDerWaalsContact O-CB 3.24Å; Q855-T885 WeakPolarHBondContact O-CB 3.38Å; Q855-T885 WeakPolarHBondContact O-CG2 3.49Å; Q855-T885 PolarHBondContact O-OG1 3.48Å; L858-T885 HydrophobicContact CB-CG2 3.66Å; S882-T885 WeakPolarHBondContact O-CB 3.4Å; S882-T885 PolarHBondContact O-N 3.15Å; S882-T885 PolarHBondContact O-OG1 2.86Å; S882-T885 PolarHBondContact OG-OG1 3Å; T885-A887 HydrophobicContact CG2-CB 4.49Å; T885-P906 WeakPolarHBondContact O-CD 3.28Å; T885-P906 WeakPolarHBondContact O-CG 3.33Å
886A94.1Very high90.4Very high0 Ų047.5 Ų47.50%026%0.257CS..EExtended strand (participates in β ladder)trans-79.3122.5161.700000109.4P856 L857 L858 V905 V909 L914 W919P856-A886 PolarHBondContact O-N 3.42Å; P856-A886 VanDerWaalsContact O-N 3.1Å; L857-A886 CarbonylContact C-O 3.53Å; L857-A886 WeakPolarHBondContact CA-O 3.35Å; L857-A886 HydrophobicContact CD1-CB 4.28Å; L858-A886 PolarHBondContact N-O 3.4Å; A886-V905 HydrophobicContact CB-CG1 4.1Å; A886-V905 HydrophobicContact CB-CG2 4.39Å; A886-V909 HydrophobicContact CB-CG1 4.08Å; A886-L914 HydrophobicContact CB-CD2 4.07Å; A886-W919 HydrophobicContact CB-CZ3 4.44Å
887A95.6Very high90.1Very high1 Ų142.4 Ų42.41%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-124140.1-172.700000113L858 L875 L878 T885 C903 Q904L858-A887 HydrophobicContact CB-CB 4.4Å; L858-A887 CarbonylContact O-C 3.56Å; L858-A887 WeakPolarHBondContact O-CA 3.49Å; L875-A887 HydrophobicContact CD2-CB 3.82Å; L878-A887 HydrophobicContact CD1-CB 3.72Å; T885-A887 HydrophobicContact CG2-CB 4.49Å; A887-C903 CarbonylContact O-C 3.5Å; A887-C903 WeakPolarHBondContact O-CA 3.24Å; A887-C903 WeakPolarHBondContact O-CB 3.41Å; A887-Q904 PolarHBondContact N-O 3.34Å; A887-Q904 PolarHBondContact O-N 2.97Å
888M96.3Very high90Very high0 Ų046.2 Ų46.20%026%0.259CS..EExtended strand (participates in β ladder)trans-133.8122.9167.7-177.2175.7-78.500110.1L858 I859 M860 F890 L902 C903 W919 V920 L923 A955L858-M888 PolarHBondContact O-N 2.65Å; I859-M888 WeakPolarHBondContact CA-O 3.43Å; M860-M888 PolarHBondContact N-O 3.07Å; M888-F890 HydrophobicContact CB-CE2 4.4Å; M888-F890 HydrophobicContact CG-CD2 4.2Å; M888-F890 HydrophobicContact CG-CE2 3.51Å; M888-F890 HydrophobicContact CG-CZ 3.95Å; M888-F890 HydrophobicContact SD-CE1 4.49Å; M888-F890 HydrophobicContact SD-CE2 3.56Å; M888-F890 VanDerWaalsContact SD-CE2 3.56Å; M888-F890 HydrophobicContact SD-CZ 3.44Å; M888-F890 WeakPolarHBondContact SD-CZ 3.23Å; M888-L902 WeakPolarHBondContact CA-O 3.37Å; M888-C903 HydrophobicContact CB-CB 3.79Å; M888-C903 HydrophobicContact CE-CB 3.54Å; M888-C903 HydrophobicContact CG-CB 3.85Å; M888-W919 HydrophobicContact CB-CE3 4.47Å; M888-W919 HydrophobicContact CB-CH2 3.57Å; M888-W919 HydrophobicContact CB-CZ2 3.78Å; M888-W919 HydrophobicContact CB-CZ3 3.95Å; M888-W919 HydrophobicContact CE-CB 4.04Å; M888-W919 HydrophobicContact CE-CD2 3.37Å; M888-W919 HydrophobicContact CE-CE3 3.82Å; M888-W919 HydrophobicContact CE-CG 3.45Å; M888-W919 VanDerWaalsContact CE-CG 3.45Å; M888-W919 HydrophobicContact CE-CZ2 4.34Å; M888-W919 HydrophobicContact CE-CZ3 4.46Å; M888-W919 HydrophobicContact SD-CD2 4.4Å; M888-W919 HydrophobicContact SD-CZ2 4.39Å; M888-V920 HydrophobicContact CE-CG2 3.83Å; M888-L923 HydrophobicContact CE-CD1 3.89Å; M888-L923 HydrophobicContact SD-CD1 3.39Å; M888-L923 WeakPolarHBondContact SD-CD1 3.25Å; M888-A955 HydrophobicContact SD-CB 3.78Å
889L96.1Very high90.1Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-111.5134-176.5-54.5-175.5000109.7M860 M862 L871 L875 L878 C901 L902M860-L889 HydrophobicContact CB-CD2 4.05Å; M860-L889 HydrophobicContact CE-CD2 3.84Å; M860-L889 WeakPolarHBondContact O-CA 3.46Å; M862-L889 HydrophobicContact CG-CB 3.88Å; M862-L889 HydrophobicContact CG-CD1 4.38Å; M862-L889 HydrophobicContact CG-CG 4.49Å; M862-L889 HydrophobicContact SD-CB 4.29Å; M862-L889 HydrophobicContact SD-CD1 4.14Å; M862-L889 HydrophobicContact SD-CD2 3.85Å; M862-L889 HydrophobicContact SD-CG 4.31Å; L871-L889 HydrophobicContact CD2-CB 4.23Å; L871-L889 HydrophobicContact CG-CB 4.17Å; L875-L889 HydrophobicContact CD2-CD1 3.9Å; L875-L889 HydrophobicContact CD2-CG 3.83Å; L875-L889 HydrophobicContact CG-CD1 3.88Å; L875-L889 HydrophobicContact CG-CG 4.25Å; L878-L889 HydrophobicContact CD1-CD2 4.44Å; L889-C901 CarbonylContact O-C 3.55Å; L889-C901 VanDerWaalsContact O-CA 3.23Å; L889-C901 WeakPolarHBondContact O-CA 3.47Å; L889-L902 PolarHBondContact N-O 3.13Å; L889-L902 PolarHBondContact O-N 2.84Å
890F95.5Very high90.3Very high0 Ų041.1 Ų41.10%024%0.239CC..EExtended strand (participates in β ladder)trans-114.5148.6177.5-68.1-98.8000111I859 M860 M862 M888 T900 C901 L923 L948 A951 L952 A955I859-F890 HydrophobicContact CG2-CD2 4.31Å; I859-F890 HydrophobicContact CG2-CE2 3.85Å; M860-F890 PolarHBondContact O-N 2.76Å; M862-F890 WeakPolarHBondContact CB-O 3.33Å; M862-F890 PolarHBondContact N-O 3.23Å; M888-F890 HydrophobicContact CB-CE2 4.4Å; M888-F890 HydrophobicContact CG-CD2 4.2Å; M888-F890 HydrophobicContact CG-CE2 3.51Å; M888-F890 HydrophobicContact CG-CZ 3.95Å; M888-F890 HydrophobicContact SD-CE1 4.49Å; M888-F890 HydrophobicContact SD-CE2 3.56Å; M888-F890 VanDerWaalsContact SD-CE2 3.56Å; M888-F890 HydrophobicContact SD-CZ 3.44Å; M888-F890 WeakPolarHBondContact SD-CZ 3.23Å; F890-T900 CarbonylContact C-O 3.57Å; F890-T900 WeakPolarHBondContact CA-O 3.27Å; F890-C901 HydrophobicContact CD1-CB 3.42Å; F890-C901 VanDerWaalsContact CD1-CB 3.42Å; F890-C901 HydrophobicContact CE1-CB 3.42Å; F890-C901 VanDerWaalsContact CE1-CB 3.42Å; F890-C901 HydrophobicContact CG-CB 4.02Å; F890-C901 HydrophobicContact CZ-CB 4.03Å; F890-L923 HydrophobicContact CE1-CD1 4.01Å; F890-L923 HydrophobicContact CZ-CD1 3.61Å; F890-L948 HydrophobicContact CB-CD1 3.62Å; F890-L948 HydrophobicContact CD1-CD1 4.24Å; F890-L948 HydrophobicContact CG-CD1 4.14Å; F890-A951 HydrophobicContact CE1-CB 3.9Å; F890-A951 HydrophobicContact CZ-CB 4.4Å; F890-L952 HydrophobicContact CB-CD2 4.44Å; F890-L952 HydrophobicContact CD2-CD2 3.46Å; F890-L952 VanDerWaalsContact CD2-CD2 3.46Å; F890-L952 HydrophobicContact CD2-CG 4.43Å; F890-L952 HydrophobicContact CE2-CD2 3.87Å; F890-L952 HydrophobicContact CG-CD2 4.1Å; F890-A955 HydrophobicContact CE2-CB 4.23Å; F890-A955 HydrophobicContact CZ-CB 4.08Å
891T94.1Very high90.5Very high3 Ų337.2 Ų37.22%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-146.6145.1167.9-179.30000109.6E863 A866 L871 I899 T900E863-T891 PolarHBondContact O-OG1 2.73Å; A866-T891 HydrophobicContact CB-CG2 4.49Å; A866-T891 PolarHBondContact N-OG1 3.39Å; A866-T891 VanDerWaalsContact O-CG2 3.31Å; A866-T891 WeakPolarHBondContact O-CG2 3.36Å; A866-T891 PolarHBondContact O-OG1 3.03Å; L871-T891 HydrophobicContact CD1-CG2 3.75Å; L871-T891 HydrophobicContact CD2-CG2 3.7Å; L871-T891 HydrophobicContact CG-CG2 4.4Å; T891-I899 WeakPolarHBondContact O-CA 3.4Å; T891-T900 PolarHBondContact N-O 3.41Å; T891-T900 PolarHBondContact O-N 2.98Å
892V92.3Very high90.7Very high16 Ų1632.9 Ų32.910%0.09719%0.191CC..EExtended strand (participates in β ladder)trans-110.5134.1171.9176.90000108.3T864 G865 P894 I899 T945 L948T864-V892 CarbonylContact C-O 3.57Å; T864-V892 WeakPolarHBondContact CA-O 3.37Å; T864-V892 VanDerWaalsContact CG2-O 3.26Å; T864-V892 WeakPolarHBondContact CG2-O 3.48Å; G865-V892 PolarHBondContact N-O 3.1Å; V892-P894 HydrophobicContact CG1-CG 4.25Å; V892-P894 WeakPolarHBondContact O-CD 3.22Å; V892-I899 HydrophobicContact CG2-CB 4.24Å; V892-I899 HydrophobicContact CG2-CD1 3.95Å; V892-I899 HydrophobicContact CG2-CG1 3.98Å; V892-T945 HydrophobicContact CG1-CG2 3.85Å; V892-L948 HydrophobicContact CG2-CB 4.29Å; V892-L948 HydrophobicContact CG2-CD1 4.31Å; V892-L948 HydrophobicContact CG2-CD2 3.85Å; V892-L948 HydrophobicContact CG2-CG 4.4Å
893D86.8Confident90.9Very high57 Ų5732.9 Ų32.931%0.30519%0.191SC..EExtended strand (participates in β ladder)trans-111.294.8167.8-175.8-19.3000107.4D895 A896 G897 K898D893-D895 PolarHBondContact O-N 2.56Å; D893-D895 WeakPolarHBondContact OD1-CB 3.42Å; D893-D895 PolarHBondContact OD1-N 2.89Å; D893-D895 VanDerWaalsContact OD1-N 3.12Å; D893-A896 HydrophobicContact CB-CB 4.05Å; D893-A896 VanDerWaalsContact CG-CB 3.41Å; D893-A896 PolarHBondContact O-N 3.04Å; D893-A896 PolarHBondContact OD1-N 3.25Å; D893-A896 WeakPolarHBondContact OD2-CB 3.27Å; D893-G897 PolarHBondContact O-N 3.44Å; D893-K898 PolarHBondContact N-O 2.82Å; D893-K898 PolarHBondContact O-N 2.98Å
894P78.8Confident91.1Very high80 Ų8030.9 Ų30.952%0.51918%0.176SC..THydrogen-bonded Turntrans-60.9-33.8-179.9-20.832.4000111.7T864 V892 G897T864-P894 VanDerWaalsContact CG2-CD 3.43Å; T864-P894 HydrophobicContact CG2-CG 3.62Å; V892-P894 HydrophobicContact CG1-CG 4.25Å; V892-P894 WeakPolarHBondContact O-CD 3.22Å; P894-G897 PolarHBondContact O-N 2.77Å
895D74.9Confident91.3Very high125 Ų12525.4 Ų25.467%0.66815%0.15SC*.THydrogen-bonded Turntrans-74.6-29-176.5-71.1-26.5000112.9K789 D893K789-D895 PolarHBondContact NZ-O 2.82Å; D893-D895 PolarHBondContact O-N 2.56Å; D893-D895 WeakPolarHBondContact OD1-CB 3.42Å; D893-D895 PolarHBondContact OD1-N 2.89Å; D893-D895 VanDerWaalsContact OD1-N 3.12Å
896A79.1Confident91.3Very high46 Ų4625.7 Ų25.738%0.3815%0.152SC..THydrogen-bonded Turntrans-92.6-7.4171.900000113.1D893 K898D893-A896 HydrophobicContact CB-CB 4.05Å; D893-A896 VanDerWaalsContact CG-CB 3.41Å; D893-A896 PolarHBondContact O-N 3.04Å; D893-A896 PolarHBondContact OD1-N 3.25Å; D893-A896 WeakPolarHBondContact OD2-CB 3.27Å; A896-K898 VanDerWaalsContact C-N 3.29Å; A896-K898 HydrophobicContact CB-CB 4.38Å; A896-K898 HydrophobicContact CB-CD 4.23Å; A896-K898 HydrophobicContact CB-CG 4.36Å; A896-K898 PolarHBondContact O-N 3.21Å
897G86Confident91.2Very high32 Ų3230.2 Ų30.233%0.3317%0.173SC..THydrogen-bonded Turntrans6038.8-173.600000112.3D893 P894D893-G897 PolarHBondContact O-N 3.44Å; P894-G897 PolarHBondContact O-N 2.77Å
898K91.6Very high90.8Very high106 Ų10634.1 Ų34.146%0.46119%0.194SC..EExtended strand (participates in β ladder)trans-129.7140.4-173.4-73.3175.7-173.5176.70112.3D893 A896 T941 G942D893-K898 PolarHBondContact N-O 2.82Å; D893-K898 PolarHBondContact O-N 2.98Å; A896-K898 VanDerWaalsContact C-N 3.29Å; A896-K898 HydrophobicContact CB-CB 4.38Å; A896-K898 HydrophobicContact CB-CD 4.23Å; A896-K898 HydrophobicContact CB-CG 4.36Å; A896-K898 PolarHBondContact O-N 3.21Å; K898-T941 HydrophobicContact CB-CG2 4.35Å; K898-T941 HydrophobicContact CD-CG2 4.21Å; K898-T941 HydrophobicContact CG-CG2 4.36Å; K898-G942 WeakPolarHBondContact CA-O 3.4Å
899I93.9Very high90.5Very high0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-109.6135.2164.1-177.6163.9000108.4T891 V892 L927 T941 G942 N944 L948T891-I899 WeakPolarHBondContact O-CA 3.4Å; V892-I899 HydrophobicContact CG2-CB 4.24Å; V892-I899 HydrophobicContact CG2-CD1 3.95Å; V892-I899 HydrophobicContact CG2-CG1 3.98Å; I899-L927 HydrophobicContact CB-CD2 4.41Å; I899-L927 HydrophobicContact CD1-CD2 3.63Å; I899-L927 HydrophobicContact CG1-CD2 3.92Å; I899-L927 HydrophobicContact CG2-CB 4.23Å; I899-L927 HydrophobicContact CG2-CD2 3.64Å; I899-L927 HydrophobicContact CG2-CG 4.47Å; I899-T941 CarbonylContact O-C 3.27Å; I899-T941 VanDerWaalsContact O-CA 3.32Å; I899-T941 WeakPolarHBondContact O-CA 3.31Å; I899-G942 PolarHBondContact N-O 3.26Å; I899-G942 PolarHBondContact O-N 3.42Å; I899-N944 WeakPolarHBondContact CG2-O 3.43Å; I899-L948 HydrophobicContact CD1-CB 4.16Å; I899-L948 HydrophobicContact CD1-CD1 3.85Å
900T94.2Very high90.2Very high23 Ų2334.6 Ų34.614%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-126.4133.9-179.7-60.40000109.3F890 T891 L902 A940F890-T900 CarbonylContact C-O 3.57Å; F890-T900 WeakPolarHBondContact CA-O 3.27Å; T891-T900 PolarHBondContact N-O 3.41Å; T891-T900 PolarHBondContact O-N 2.98Å; T900-L902 HydrophobicContact CG2-CD1 3.43Å; T900-L902 VanDerWaalsContact CG2-CD1 3.43Å; T900-A940 WeakPolarHBondContact CA-O 3.4Å
901C94.7Very high89.9Confident0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-126.713717079.90000111.2L889 F890 Q939 A940L889-C901 CarbonylContact O-C 3.55Å; L889-C901 VanDerWaalsContact O-CA 3.23Å; L889-C901 WeakPolarHBondContact O-CA 3.47Å; F890-C901 HydrophobicContact CD1-CB 3.42Å; F890-C901 VanDerWaalsContact CD1-CB 3.42Å; F890-C901 HydrophobicContact CE1-CB 3.42Å; F890-C901 VanDerWaalsContact CE1-CB 3.42Å; F890-C901 HydrophobicContact CG-CB 4.02Å; F890-C901 HydrophobicContact CZ-CB 4.03Å; C901-Q939 CarbonylContact O-C 3.56Å; C901-Q939 VanDerWaalsContact O-CA 3.26Å; C901-Q939 WeakPolarHBondContact O-CA 3.29Å; C901-A940 PolarHBondContact N-O 3.21Å; C901-A940 PolarHBondContact O-N 3.33Å
902L96.1Very high89.6Confident3 Ų347.4 Ų47.42%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-125.3139.1172.7-79.871000108L871 N872 L875 M888 L889 T900 Q939L871-L902 HydrophobicContact CB-CB 4.4Å; L871-L902 HydrophobicContact CB-CD1 4.27Å; L871-L902 HydrophobicContact CB-CD2 3.98Å; L871-L902 HydrophobicContact CB-CG 4.46Å; L871-L902 HydrophobicContact CD2-CD1 3.95Å; N872-L902 HydrophobicContact CB-CD2 4.21Å; N872-L902 WeakPolarHBondContact ND2-CD2 3.48Å; N872-L902 WeakPolarHBondContact OD1-CD2 3.38Å; L875-L902 HydrophobicContact CD1-CB 3.56Å; L875-L902 HydrophobicContact CD1-CD2 4.48Å; M888-L902 WeakPolarHBondContact CA-O 3.37Å; L889-L902 PolarHBondContact N-O 3.13Å; L889-L902 PolarHBondContact O-N 2.84Å; T900-L902 HydrophobicContact CG2-CD1 3.43Å; T900-L902 VanDerWaalsContact CG2-CD1 3.43Å; L902-Q939 HydrophobicContact CD1-CB 4.21Å; L902-Q939 HydrophobicContact CG-CB 3.86Å
903C94.9Very high89.3Confident2 Ų248 Ų481%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-131.3154.617673.90000112.4A887 M888 A916 W919 V920 S937 A938A887-C903 CarbonylContact O-C 3.5Å; A887-C903 WeakPolarHBondContact O-CA 3.24Å; A887-C903 WeakPolarHBondContact O-CB 3.41Å; M888-C903 HydrophobicContact CB-CB 3.79Å; M888-C903 HydrophobicContact CE-CB 3.54Å; M888-C903 HydrophobicContact CG-CB 3.85Å; C903-A916 VanDerWaalsContact SG-CB 3.58Å; C903-W919 HydrophobicContact CB-CE3 4.06Å; C903-W919 HydrophobicContact CB-CZ3 4.2Å; C903-V920 HydrophobicContact CB-CG2 4.43Å; C903-V920 WeakPolarHBondContact SG-CG2 3.34Å; C903-S937 WeakPolarHBondContact O-CA 3.37Å; C903-A938 PolarHBondContact N-O 3.28Å; C903-A938 PolarHBondContact O-N 2.84Å; C903-A938 VanDerWaalsContact O-N 3.12Å
904Q95.2Very high89.6Confident32 Ų3245.3 Ų45.315%0.1525%0.25CS..EExtended strand (participates in β ladder)trans-140.6131.4174-169.5175.7-38.800109.9L875 A887 M936L875-Q904 HydrophobicContact CB-CB 4.29Å; L875-Q904 HydrophobicContact CD1-CB 4.3Å; L875-Q904 HydrophobicContact CD2-CB 3.98Å; L875-Q904 HydrophobicContact CG-CB 4.43Å; L875-Q904 PolarHBondContact O-OE1 2.97Å; A887-Q904 PolarHBondContact N-O 3.34Å; A887-Q904 PolarHBondContact O-N 2.97Å; Q904-M936 CarbonylContact C-O 3.47Å; Q904-M936 WeakPolarHBondContact CA-O 3.37Å; Q904-M936 WeakPolarHBondContact CG-O 3.46Å
905V94.3Very high90.4Very high0 Ų044.8 Ų44.80%024%0.24CC..  trans-122.8129.6-178.8-173.80000109.8A886 V909 A910 L914 A916 W919 M936A886-V905 HydrophobicContact CB-CG1 4.1Å; A886-V905 HydrophobicContact CB-CG2 4.39Å; V905-V909 HydrophobicContact CG1-CB 3.72Å; V905-V909 HydrophobicContact CG1-CG1 3.66Å; V905-A910 HydrophobicContact CG1-CB 4.23Å; V905-L914 WeakPolarHBondContact CG1-O 3.19Å; V905-L914 HydrophobicContact CG2-CG 4.49Å; V905-A916 HydrophobicContact CB-CB 4.4Å; V905-A916 HydrophobicContact CG2-CB 3.85Å; V905-W919 HydrophobicContact CG2-CE3 3.82Å; V905-W919 HydrophobicContact CG2-CZ3 3.95Å; V905-M936 PolarHBondContact N-O 3.32Å
906P92.9Very high91.3Very high14 Ų1438.9 Ų38.99%0.09121%0.208CC..  trans-56.9151.8171.4-27.136.3000112.6P883 T885 D908 V909 A910P883-P906 WeakPolarHBondContact O-CB 3.49Å; P883-P906 WeakPolarHBondContact O-CG 3.02Å; T885-P906 WeakPolarHBondContact O-CD 3.28Å; T885-P906 WeakPolarHBondContact O-CG 3.33Å; P906-D908 VanDerWaalsContact C-N 3.34Å; P906-D908 WeakPolarHBondContact CB-OD1 3.15Å; P906-D908 PolarHBondContact O-N 3.46Å; P906-V909 HydrophobicContact CB-CB 4.26Å; P906-V909 HydrophobicContact CB-CG2 3.98Å; P906-V909 HydrophobicContact CG-CG2 4.14Å; P906-V909 PolarHBondContact O-N 2.9Å; P906-A910 WeakPolarHBondContact O-CB 3.38Å; P906-A910 PolarHBondContact O-N 3.01Å
907Q91.7Very high92Very high94 Ų9437.5 Ų37.544%0.43920%0.196SC..Hα-helixtrans-65.2-39.3-172.7-177.863.567.700112.2A910 N911 M936Q907-A910 PolarHBondContact O-N 2.91Å; Q907-N911 PolarHBondContact NE2-OD1 3.04Å; Q907-N911 WeakPolarHBondContact O-CB 3.21Å; Q907-N911 PolarHBondContact O-N 3.2Å; Q907-N911 PolarHBondContact O-ND2 2.84Å; Q907-N911 PolarHBondContact O-OD1 2.88Å; Q907-M936 HydrophobicContact CB-CE 3.74Å; Q907-M936 HydrophobicContact CB-SD 4.3Å; Q907-M936 PolarHBondContact OE1-SD 3.34Å
908D88.1Confident92.4Very high83 Ų8339.7 Ų39.744%0.44420%0.197SC..Hα-helixtrans-63.4-41.5175.159.3-40.6000111.9P906 N911 R912P906-D908 VanDerWaalsContact C-N 3.34Å; P906-D908 WeakPolarHBondContact CB-OD1 3.15Å; P906-D908 PolarHBondContact O-N 3.46Å; D908-N911 PolarHBondContact O-N 2.81Å; D908-R912 WeakPolarHBondContact O-CG 3.38Å; D908-R912 PolarHBondContact O-N 3.07Å; D908-R912 VanDerWaalsContact O-N 3.08Å
909V89.5Confident92.5Very high6 Ų634.6 Ų34.64%0.03618%0.175CC..Hα-helixtrans-68.7-39.5175.8-177.60000111.6A886 V905 P906 N911 R912 G913 L914 L963A886-V909 HydrophobicContact CB-CG1 4.08Å; V905-V909 HydrophobicContact CG1-CB 3.72Å; V905-V909 HydrophobicContact CG1-CG1 3.66Å; P906-V909 HydrophobicContact CB-CB 4.26Å; P906-V909 HydrophobicContact CB-CG2 3.98Å; P906-V909 HydrophobicContact CG-CG2 4.14Å; P906-V909 PolarHBondContact O-N 2.9Å; V909-N911 VanDerWaalsContact C-N 3.32Å; V909-N911 PolarHBondContact O-N 3.1Å; V909-R912 WeakPolarHBondContact O-CB 3.29Å; V909-R912 PolarHBondContact O-N 2.81Å; V909-R912 VanDerWaalsContact O-N 3.13Å; V909-G913 PolarHBondContact O-N 2.81Å; V909-L914 HydrophobicContact CG1-CB 4.18Å; V909-L914 HydrophobicContact CG1-CD2 4.27Å; V909-L914 PolarHBondContact O-N 2.95Å; V909-L963 HydrophobicContact CG1-CD2 3.61Å
910A89.9Confident92.6Very high5 Ų534.6 Ų34.64%0.04118%0.175CC..Hα-helixtrans-63.2-38.9173.900000112.1V905 P906 Q907 R912 G913 L914V905-A910 HydrophobicContact CG1-CB 4.23Å; P906-A910 WeakPolarHBondContact O-CB 3.38Å; P906-A910 PolarHBondContact O-N 3.01Å; Q907-A910 PolarHBondContact O-N 2.91Å; A910-R912 VanDerWaalsContact C-N 3.27Å; A910-R912 PolarHBondContact O-N 3.49Å; A910-G913 PolarHBondContact O-N 2.84Å; A910-L914 WeakPolarHBondContact CA-O 3.4Å
911N89.1Confident92.5Very high122 Ų12238.9 Ų38.965%0.65219%0.194SC*.Hα-helixtrans-66.9-28174.7-67.7-11.3000112.5Q907 D908 V909 G913Q907-N911 PolarHBondContact NE2-OD1 3.04Å; Q907-N911 WeakPolarHBondContact O-CB 3.21Å; Q907-N911 PolarHBondContact O-N 3.2Å; Q907-N911 PolarHBondContact O-ND2 2.84Å; Q907-N911 PolarHBondContact O-OD1 2.88Å; D908-N911 PolarHBondContact O-N 2.81Å; V909-N911 VanDerWaalsContact C-N 3.32Å; V909-N911 PolarHBondContact O-N 3.1Å; N911-G913 VanDerWaalsContact C-N 3.28Å
912R86.9Confident92.5Very high149 Ų14943.6 Ų43.656%0.56222%0.216SC*.Hα-helixtrans-76.2-10.7174.4-73.417161.3-171.1-2.5113.9D908 V909 A910D908-R912 WeakPolarHBondContact O-CG 3.38Å; D908-R912 PolarHBondContact O-N 3.07Å; D908-R912 VanDerWaalsContact O-N 3.08Å; V909-R912 WeakPolarHBondContact O-CB 3.29Å; V909-R912 PolarHBondContact O-N 2.81Å; V909-R912 VanDerWaalsContact O-N 3.13Å; A910-R912 VanDerWaalsContact C-N 3.27Å; A910-R912 PolarHBondContact O-N 3.49Å
913G87.3Confident92.4Very high30 Ų3043.5 Ų43.531%0.30922%0.215SC..THydrogen-bonded Turntrans126.7-12.1169.500000115.8V909 A910 N911 K915V909-G913 PolarHBondContact O-N 2.81Å; A910-G913 PolarHBondContact O-N 2.84Å; N911-G913 VanDerWaalsContact C-N 3.28Å; G913-K915 PolarHBondContact O-N 3.03Å
914L92.9Very high92.3Very high0 Ų044.2 Ų44.20%022%0.22CC..  trans-87.893.1177.2-179.459.4000110.6L857 A886 V905 V909 A910 W919 F958 A959 K962 L963L857-L914 HydrophobicContact CD1-CD2 4.46Å; A886-L914 HydrophobicContact CB-CD2 4.07Å; V905-L914 WeakPolarHBondContact CG1-O 3.19Å; V905-L914 HydrophobicContact CG2-CG 4.49Å; V909-L914 HydrophobicContact CG1-CB 4.18Å; V909-L914 HydrophobicContact CG1-CD2 4.27Å; V909-L914 PolarHBondContact O-N 2.95Å; A910-L914 WeakPolarHBondContact CA-O 3.4Å; L914-W919 HydrophobicContact CD1-CB 4.26Å; L914-W919 HydrophobicContact CD1-CD2 4.05Å; L914-W919 HydrophobicContact CD1-CE3 4.34Å; L914-W919 HydrophobicContact CD1-CG 4.04Å; L914-W919 HydrophobicContact CD2-CE3 4.37Å; L914-W919 HydrophobicContact CD2-CZ3 4.37Å; L914-W919 HydrophobicContact CG-CE3 4.43Å; L914-F958 HydrophobicContact CD1-CD1 4.05Å; L914-F958 HydrophobicContact CD1-CE1 4.07Å; L914-A959 HydrophobicContact CD1-CB 4.3Å; L914-A959 HydrophobicContact CD2-CB 4.01Å; L914-K962 HydrophobicContact CB-CB 4.13Å; L914-K962 HydrophobicContact CD1-CB 4.16Å; L914-K962 HydrophobicContact CD1-CG 4.4Å; L914-L963 HydrophobicContact CB-CD2 4.02Å; L914-L963 HydrophobicContact CB-CG 4.41Å; L914-L963 HydrophobicContact CD2-CD1 4.02Å; L914-L963 HydrophobicContact CD2-CD2 4.33Å; L914-L963 HydrophobicContact CD2-CG 4.2Å
915K94.5Very high92.3Very high69 Ų6947.9 Ų47.930%0.325%0.246SC..  trans-89.3130.2176.9-63.8-176.5174.5-143.20111.4G913 S917 Q918 W919 D935G913-K915 PolarHBondContact O-N 3.03Å; K915-S917 VanDerWaalsContact C-N 3.3Å; K915-S917 PolarHBondContact O-N 3.18Å; K915-Q918 HydrophobicContact CB-CB 4.28Å; K915-Q918 HydrophobicContact CB-CG 4.12Å; K915-Q918 PolarHBondContact O-N 2.96Å; K915-Q918 VanDerWaalsContact O-N 3.16Å; K915-W919 WeakPolarHBondContact O-CB 3.34Å; K915-W919 PolarHBondContact O-N 2.84Å; K915-D935 WeakPolarHBondContact CE-OD2 3.36Å; K915-D935 HydrophobicContact CG-CB 4.4Å; K915-D935 IonicContact NZ-OD1 3.17Å; K915-D935 IonicContact NZ-OD2 3.92Å; K915-D935 PolarHBondContact NZ-OD2 2.97Å
916A94.4Very high92.2Very high0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-56.4-41.418000000113.1C903 V905 W919 V920 D935 A938C903-A916 VanDerWaalsContact SG-CB 3.58Å; V905-A916 HydrophobicContact CB-CB 4.4Å; V905-A916 HydrophobicContact CG2-CB 3.85Å; A916-W919 PolarHBondContact O-N 3.45Å; A916-V920 PolarHBondContact O-N 2.77Å; A916-D935 WeakPolarHBondContact CB-O 3.47Å; A916-D935 PolarHBondContact N-O 3.11Å; A916-A938 HydrophobicContact CB-CB 4.14Å; A916-A938 WeakPolarHBondContact O-CB 3.46Å
917S93.9Very high92.2Very high18 Ų1848.6 Ų48.613%0.12625%0.249CC..Hα-helixtrans-59.7-45.2176.952.40000112.7K915 Q921 K934 D935K915-S917 VanDerWaalsContact C-N 3.3Å; K915-S917 PolarHBondContact O-N 3.18Å; S917-Q921 WeakPolarHBondContact O-CB 3.15Å; S917-Q921 VanDerWaalsContact O-CG 3.24Å; S917-Q921 WeakPolarHBondContact O-CG 3.3Å; S917-Q921 PolarHBondContact O-N 3.47Å; S917-Q921 VanDerWaalsContact O-N 3.09Å; S917-K934 PolarHBondContact N-O 2.91Å; S917-D935 PolarHBondContact OG-OD1 3.02Å
918Q93.8Very high92.3Very high77 Ų7749 Ų4936%0.3626%0.255SS..Hα-helixtrans-70.8-39.4178.1-65-179.9-18.300111.4K915 V920 Q921 E922 F958K915-Q918 HydrophobicContact CB-CB 4.28Å; K915-Q918 HydrophobicContact CB-CG 4.12Å; K915-Q918 PolarHBondContact O-N 2.96Å; K915-Q918 VanDerWaalsContact O-N 3.16Å; Q918-V920 VanDerWaalsContact C-N 3.31Å; Q918-V920 PolarHBondContact O-N 3.41Å; Q918-Q921 PolarHBondContact O-N 2.88Å; Q918-Q921 VanDerWaalsContact O-N 3.17Å; Q918-E922 PolarHBondContact O-N 3.46Å; Q918-E922 VanDerWaalsContact O-N 3.08Å; Q918-F958 HydrophobicContact CB-CZ 4.11Å
919W94.6Very high92.3Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-61.8-39.4179.8-165.314.6000112.3L857 I859 A886 M888 C903 V905 L914 K915 A916 A955 F958 A959L857-W919 HydrophobicContact CD1-CH2 3.54Å; L857-W919 HydrophobicContact CD1-CZ2 3.78Å; I859-W919 HydrophobicContact CD1-CZ2 3.75Å; I859-W919 HydrophobicContact CG1-CH2 4.21Å; I859-W919 HydrophobicContact CG1-CZ2 3.81Å; A886-W919 HydrophobicContact CB-CZ3 4.44Å; M888-W919 HydrophobicContact CB-CE3 4.47Å; M888-W919 HydrophobicContact CB-CH2 3.57Å; M888-W919 HydrophobicContact CB-CZ2 3.78Å; M888-W919 HydrophobicContact CB-CZ3 3.95Å; M888-W919 HydrophobicContact CE-CB 4.04Å; M888-W919 HydrophobicContact CE-CD2 3.37Å; M888-W919 HydrophobicContact CE-CE3 3.82Å; M888-W919 HydrophobicContact CE-CG 3.45Å; M888-W919 VanDerWaalsContact CE-CG 3.45Å; M888-W919 HydrophobicContact CE-CZ2 4.34Å; M888-W919 HydrophobicContact CE-CZ3 4.46Å; M888-W919 HydrophobicContact SD-CD2 4.4Å; M888-W919 HydrophobicContact SD-CZ2 4.39Å; C903-W919 HydrophobicContact CB-CE3 4.06Å; C903-W919 HydrophobicContact CB-CZ3 4.2Å; V905-W919 HydrophobicContact CG2-CE3 3.82Å; V905-W919 HydrophobicContact CG2-CZ3 3.95Å; L914-W919 HydrophobicContact CD1-CB 4.26Å; L914-W919 HydrophobicContact CD1-CD2 4.05Å; L914-W919 HydrophobicContact CD1-CE3 4.34Å; L914-W919 HydrophobicContact CD1-CG 4.04Å; L914-W919 HydrophobicContact CD2-CE3 4.37Å; L914-W919 HydrophobicContact CD2-CZ3 4.37Å; L914-W919 HydrophobicContact CG-CE3 4.43Å; K915-W919 WeakPolarHBondContact O-CB 3.34Å; K915-W919 PolarHBondContact O-N 2.84Å; A916-W919 PolarHBondContact O-N 3.45Å; W919-A955 PolarHBondContact NE1-O 3.16Å; W919-F958 HydrophobicContact CB-CD1 4.24Å; W919-F958 HydrophobicContact CB-CE1 4.12Å; W919-F958 AromaticContact CD1-CD1 3.53Å; W919-F958 HydrophobicContact CG-CD1 4.09Å; W919-F958 HydrophobicContact CG-CE1 4.45Å; W919-A959 HydrophobicContact CZ2-CB 3.89Å
920V95.3Very high92.4Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-73.9-37.3173.2165.60000112.6M888 C903 A916 Q918 E922 L923 C924 A938 A940M888-V920 HydrophobicContact CE-CG2 3.83Å; C903-V920 HydrophobicContact CB-CG2 4.43Å; C903-V920 WeakPolarHBondContact SG-CG2 3.34Å; A916-V920 PolarHBondContact O-N 2.77Å; Q918-V920 VanDerWaalsContact C-N 3.31Å; Q918-V920 PolarHBondContact O-N 3.41Å; V920-E922 VanDerWaalsContact C-N 3.29Å; V920-E922 PolarHBondContact O-N 2.97Å; V920-L923 PolarHBondContact O-N 3.07Å; V920-L923 VanDerWaalsContact O-N 3.17Å; V920-C924 PolarHBondContact O-N 2.81Å; V920-C924 PolarHBondContact O-SG 2.89Å; V920-A938 HydrophobicContact CB-CB 3.99Å; V920-A938 HydrophobicContact CG2-CB 3.68Å; V920-A940 HydrophobicContact CG1-CB 3.48Å; V920-A940 VanDerWaalsContact CG1-CB 3.48Å
921Q93.5Very high92.4Very high113 Ų11356 Ų5653%0.52830%0.295SS..Hα-helixtrans-61.1-38.3179.6-83.5175.6-10.200112.4S917 Q918 L923 C924 P925S917-Q921 WeakPolarHBondContact O-CB 3.15Å; S917-Q921 VanDerWaalsContact O-CG 3.24Å; S917-Q921 WeakPolarHBondContact O-CG 3.3Å; S917-Q921 PolarHBondContact O-N 3.47Å; S917-Q921 VanDerWaalsContact O-N 3.09Å; Q918-Q921 PolarHBondContact O-N 2.88Å; Q918-Q921 VanDerWaalsContact O-N 3.17Å; Q921-L923 PolarHBondContact O-N 3.31Å; Q921-C924 WeakPolarHBondContact O-CB 3.07Å; Q921-C924 PolarHBondContact O-N 3.13Å; Q921-P925 WeakPolarHBondContact O-CD 3.39Å
922E93.6Very high92.4Very high99 Ų9952.1 Ų52.146%0.46328%0.283SS..Hα-helixtrans-58.4-33.6177-16465.2-164.400112.3Q918 V920 P925 M954 F958Q918-E922 PolarHBondContact O-N 3.46Å; Q918-E922 VanDerWaalsContact O-N 3.08Å; V920-E922 VanDerWaalsContact C-N 3.29Å; V920-E922 PolarHBondContact O-N 2.97Å; E922-P925 WeakPolarHBondContact O-CD 3.44Å; E922-M954 HydrophobicContact CG-CG 4.43Å; E922-M954 HydrophobicContact CG-SD 4.41Å; E922-F958 HydrophobicContact CB-CD2 4.03Å; E922-F958 HydrophobicContact CB-CE2 4.18Å; E922-F958 HydrophobicContact CG-CD2 3.69Å; E922-F958 HydrophobicContact CG-CE2 4.14Å; E922-F958 HydrophobicContact CG-CG 4.38Å
923L93.9Very high92.6Very high0 Ų047.3 Ų47.30%028%0.28CS..Hα-helixtrans-83.8-19.9-178.4-60.1168.5000113.5M888 F890 V920 Q921 L926 L927 A951 M954 A955M888-L923 HydrophobicContact CE-CD1 3.89Å; M888-L923 HydrophobicContact SD-CD1 3.39Å; M888-L923 WeakPolarHBondContact SD-CD1 3.25Å; F890-L923 HydrophobicContact CE1-CD1 4.01Å; F890-L923 HydrophobicContact CZ-CD1 3.61Å; V920-L923 PolarHBondContact O-N 3.07Å; V920-L923 VanDerWaalsContact O-N 3.17Å; Q921-L923 PolarHBondContact O-N 3.31Å; L923-L926 PolarHBondContact O-N 2.7Å; L923-L926 VanDerWaalsContact O-N 3.1Å; L923-L927 HydrophobicContact CB-CD1 3.99Å; L923-L927 HydrophobicContact CB-CG 4.32Å; L923-L927 VanDerWaalsContact O-CG 3.28Å; L923-L927 WeakPolarHBondContact O-CG 3.39Å; L923-L927 PolarHBondContact O-N 3.1Å; L923-A951 HydrophobicContact CD2-CB 4.35Å; L923-A951 WeakPolarHBondContact CD2-O 3.43Å; L923-M954 HydrophobicContact CD2-CB 3.98Å; L923-M954 HydrophobicContact CD2-CG 3.98Å; L923-M954 HydrophobicContact CD2-SD 3.98Å; L923-A955 HydrophobicContact CD1-CB 4.18Å; L923-A955 HydrophobicContact CD2-CB 4.2Å
924C93.9Very high92.9Very high18 Ų1853.7 Ų53.712%0.12230%0.299CS..Hα-helixtrans-57.4-41.8-172.5-70.20000114.4V920 Q921 L926 D928 G929 G931V920-C924 PolarHBondContact O-N 2.81Å; V920-C924 PolarHBondContact O-SG 2.89Å; Q921-C924 WeakPolarHBondContact O-CB 3.07Å; Q921-C924 PolarHBondContact O-N 3.13Å; C924-L926 VanDerWaalsContact C-N 3.34Å; C924-L926 PolarHBondContact O-N 3.19Å; C924-D928 PolarHBondContact O-N 2.96Å; C924-G929 PolarHBondContact O-N 2.72Å; C924-G929 VanDerWaalsContact O-N 3.11Å; C924-G931 PolarHBondContact SG-N 3.27Å
925P93.3Very high92.8Very high108 Ų10856.8 Ų56.870%0.70132%0.316SS*.Hα-helixtrans-61.6-41.1175.3-23.234.8000112.7Q921 E922 D928Q921-P925 WeakPolarHBondContact O-CD 3.39Å; E922-P925 WeakPolarHBondContact O-CD 3.44Å; P925-D928 PolarHBondContact O-N 2.99Å
926L93.3Very high92.7Very high29 Ų2956.2 Ų56.215%0.15232%0.315CS..Hα-helixtrans-69.3-41.4-178.3-178.263.7000112.1L923 C924 D928 N944 C947 E950 A951 M954L923-L926 PolarHBondContact O-N 2.7Å; L923-L926 VanDerWaalsContact O-N 3.1Å; C924-L926 VanDerWaalsContact C-N 3.34Å; C924-L926 PolarHBondContact O-N 3.19Å; L926-D928 PolarHBondContact O-N 2.88Å; L926-N944 PolarHBondContact O-ND2 2.87Å; L926-C947 HydrophobicContact CD1-CB 3.91Å; L926-C947 HydrophobicContact CD2-CB 4.39Å; L926-C947 HydrophobicContact CG-CB 3.84Å; L926-C947 PolarHBondContact O-SG 2.95Å; L926-E950 HydrophobicContact CD1-CB 4.43Å; L926-E950 WeakPolarHBondContact CD1-OE2 3.18Å; L926-E950 HydrophobicContact CD2-CB 3.87Å; L926-A951 HydrophobicContact CD2-CB 3.92Å; L926-M954 HydrophobicContact CB-CE 4.46Å; L926-M954 HydrophobicContact CB-SD 4.46Å; L926-M954 HydrophobicContact CD2-CE 3.9Å; L926-M954 HydrophobicContact CD2-SD 4.12Å
927L92.6Very high92.8Very high0 Ų059 Ų590%034%0.335CS..Hα-helixtrans-69.6-10.9178.8-61.4173.3000113I899 L923 G929 A940 G942 R943 N944 A951I899-L927 HydrophobicContact CB-CD2 4.41Å; I899-L927 HydrophobicContact CD1-CD2 3.63Å; I899-L927 HydrophobicContact CG1-CD2 3.92Å; I899-L927 HydrophobicContact CG2-CB 4.23Å; I899-L927 HydrophobicContact CG2-CD2 3.64Å; I899-L927 HydrophobicContact CG2-CG 4.47Å; L923-L927 HydrophobicContact CB-CD1 3.99Å; L923-L927 HydrophobicContact CB-CG 4.32Å; L923-L927 VanDerWaalsContact O-CG 3.28Å; L923-L927 WeakPolarHBondContact O-CG 3.39Å; L923-L927 PolarHBondContact O-N 3.1Å; L927-G929 VanDerWaalsContact C-N 3.34Å; L927-A940 HydrophobicContact CD1-CB 4Å; L927-G942 CarbonylContact O-C 3.5Å; L927-G942 VanDerWaalsContact O-C 3.31Å; L927-G942 WeakPolarHBondContact O-CA 3.45Å; L927-R943 PolarHBondContact O-N 3.12Å; L927-N944 WeakPolarHBondContact O-CB 3.38Å; L927-N944 PolarHBondContact O-N 3.06Å; L927-A951 HydrophobicContact CD2-CB 4.18Å
928D93Very high92.9Very high104 Ų10458.6 Ų58.656%0.55633%0.332SS*.THydrogen-bonded Turntrans4957.4-164.2-176.434.7000110.4C924 P925 L926 G942 R943 N944C924-D928 PolarHBondContact O-N 2.96Å; P925-D928 PolarHBondContact O-N 2.99Å; L926-D928 PolarHBondContact O-N 2.88Å; D928-G942 WeakPolarHBondContact O-CA 3.45Å; D928-R943 PolarHBondContact O-N 2.93Å; D928-R943 VanDerWaalsContact O-N 3.16Å; D928-N944 HydrophobicContact CB-CB 4.06Å
929G89.4Confident93Very high24 Ų2459.8 Ų59.825%0.24734%0.338CS..EExtended strand (participates in β ladder)trans-146.4177.2-164.100000115C924 L927 T941C924-G929 PolarHBondContact O-N 2.72Å; C924-G929 VanDerWaalsContact O-N 3.11Å; L927-G929 VanDerWaalsContact C-N 3.34Å; G929-T941 WeakPolarHBondContact CA-O 3.35Å
930K91Very high93Very high187 Ų18759.8 Ų59.881%0.81334%0.338SS*.EExtended strand (participates in β ladder)trans-121.1139.6172-67.4-175.5179.9-178.80109.3A940 T941K930-A940 WeakPolarHBondContact O-CA 3.48Å; K930-T941 PolarHBondContact N-O 3.29Å; K930-T941 VanDerWaalsContact N-O 3.11Å; K930-T941 PolarHBondContact O-N 3.49Å
931G89.4Confident92.9Very high30 Ų3062.7 Ų62.731%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-137.8157179.100000112.5C924 Q939C924-G931 PolarHBondContact SG-N 3.27Å; G931-Q939 CarbonylContact C-O 3.58Å; G931-Q939 WeakPolarHBondContact CA-O 3.37Å
932G89.6Confident92.9Very high39 Ų3957.4 Ų57.440%0.40233%0.332SS..EExtended strand (participates in β ladder)trans-167.7159.5-179.600000112.5Q939G932-Q939 PolarHBondContact N-O 2.97Å; G932-Q939 PolarHBondContact O-N 2.9Å
933G91.6Very high92.9Very high48 Ų4862.1 Ų62.150%0.49535%0.345SS..EExtended strand (participates in β ladder)trans169.1-174.3-178.200000113.9S937G933-S937 CarbonylContact C-O 3.1Å; G933-S937 WeakPolarHBondContact CA-O 3.37Å
934K92.6Very high92.8Very high164 Ų16464.9 Ų64.971%0.71336%0.36SS*.EExtended strand (participates in β ladder)trans-99.8172.9173-63.5-177179.6-1790109.8S917 M936 S937S917-K934 PolarHBondContact N-O 2.91Å; K934-M936 PolarHBondContact O-N 3.13Å; K934-M936 VanDerWaalsContact O-N 3.08Å; K934-S937 PolarHBondContact N-O 3.33Å; K934-S937 CarbonylContact O-C 3.52Å; K934-S937 PolarHBondContact O-N 2.9Å; K934-S937 VanDerWaalsContact O-O 3.12Å
935D91.4Very high92.6Very high65 Ų6566 Ų6635%0.34837%0.367SS..THydrogen-bonded Turntrans-58.1-26-178.6-72.75.1000114.1K915 A916 S917K915-D935 WeakPolarHBondContact CE-OD2 3.36Å; K915-D935 HydrophobicContact CG-CB 4.4Å; K915-D935 IonicContact NZ-OD1 3.17Å; K915-D935 IonicContact NZ-OD2 3.92Å; K915-D935 PolarHBondContact NZ-OD2 2.97Å; A916-D935 WeakPolarHBondContact CB-O 3.47Å; A916-D935 PolarHBondContact N-O 3.11Å; S917-D935 PolarHBondContact OG-OD1 3.02Å
936M93.1Very high92.5Very high58 Ų5869.5 Ų69.529%0.28637%0.373SS..THydrogen-bonded Turntrans-101.4-13.3179.5-60.5-177.276.200115Q904 V905 Q907 K934Q904-M936 CarbonylContact C-O 3.47Å; Q904-M936 WeakPolarHBondContact CA-O 3.37Å; Q904-M936 WeakPolarHBondContact CG-O 3.46Å; V905-M936 PolarHBondContact N-O 3.32Å; Q907-M936 HydrophobicContact CB-CE 3.74Å; Q907-M936 HydrophobicContact CB-SD 4.3Å; Q907-M936 PolarHBondContact OE1-SD 3.34Å; K934-M936 PolarHBondContact O-N 3.13Å; K934-M936 VanDerWaalsContact O-N 3.08Å
937S95Very high92.5Very high59 Ų5968.2 Ų68.241%0.41337%0.367SS..EExtended strand (participates in β ladder)trans-157.7128.7-176.363.50000111.4C903 G933 K934C903-S937 WeakPolarHBondContact O-CA 3.37Å; G933-S937 CarbonylContact C-O 3.1Å; G933-S937 WeakPolarHBondContact CA-O 3.37Å; K934-S937 PolarHBondContact N-O 3.33Å; K934-S937 CarbonylContact O-C 3.52Å; K934-S937 PolarHBondContact O-N 2.9Å; K934-S937 VanDerWaalsContact O-O 3.12Å
938A95.9Very high92.4Very high8 Ų869 Ų697%0.06637%0.371CS..EExtended strand (participates in β ladder)trans-146.6164.7178.500000111.9C903 A916 V920C903-A938 PolarHBondContact N-O 3.28Å; C903-A938 PolarHBondContact O-N 2.84Å; C903-A938 VanDerWaalsContact O-N 3.12Å; A916-A938 HydrophobicContact CB-CB 4.14Å; A916-A938 WeakPolarHBondContact O-CB 3.46Å; V920-A938 HydrophobicContact CB-CB 3.99Å; V920-A938 HydrophobicContact CG2-CB 3.68Å
939Q95.9Very high92.4Very high102 Ų10270.2 Ų70.248%0.47737%0.374SS..EExtended strand (participates in β ladder)trans-145.6149178.667.5-178.925.600111.5C901 L902 G931 G932C901-Q939 CarbonylContact O-C 3.56Å; C901-Q939 VanDerWaalsContact O-CA 3.26Å; C901-Q939 WeakPolarHBondContact O-CA 3.29Å; L902-Q939 HydrophobicContact CD1-CB 4.21Å; L902-Q939 HydrophobicContact CG-CB 3.86Å; G931-Q939 CarbonylContact C-O 3.58Å; G931-Q939 WeakPolarHBondContact CA-O 3.37Å; G932-Q939 PolarHBondContact N-O 2.97Å; G932-Q939 PolarHBondContact O-N 2.9Å
940A94.8Very high92.6Very high1 Ų174.8 Ų74.81%0.00839%0.388CS..EExtended strand (participates in β ladder)trans-135.1153.8167.600000112T900 C901 V920 L927 K930T900-A940 WeakPolarHBondContact CA-O 3.4Å; C901-A940 PolarHBondContact N-O 3.21Å; C901-A940 PolarHBondContact O-N 3.33Å; V920-A940 HydrophobicContact CG1-CB 3.48Å; V920-A940 VanDerWaalsContact CG1-CB 3.48Å; L927-A940 HydrophobicContact CD1-CB 4Å; K930-A940 WeakPolarHBondContact O-CA 3.48Å
941T94.6Very high92.6Very high60 Ų6065.9 Ų65.937%0.36835%0.349SS..EExtended strand (participates in β ladder)trans-134.9136.9169.3-54.40000109K898 I899 G929 K930K898-T941 HydrophobicContact CB-CG2 4.35Å; K898-T941 HydrophobicContact CD-CG2 4.21Å; K898-T941 HydrophobicContact CG-CG2 4.36Å; I899-T941 CarbonylContact O-C 3.27Å; I899-T941 VanDerWaalsContact O-CA 3.32Å; I899-T941 WeakPolarHBondContact O-CA 3.31Å; G929-T941 WeakPolarHBondContact CA-O 3.35Å; K930-T941 PolarHBondContact N-O 3.29Å; K930-T941 VanDerWaalsContact N-O 3.11Å; K930-T941 PolarHBondContact O-N 3.49Å
942G93.4Very high92.8Very high3 Ų365.8 Ų65.83%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-141.5172.5-179.400000113K898 I899 L927 D928K898-G942 WeakPolarHBondContact CA-O 3.4Å; I899-G942 PolarHBondContact N-O 3.26Å; I899-G942 PolarHBondContact O-N 3.42Å; L927-G942 CarbonylContact O-C 3.5Å; L927-G942 VanDerWaalsContact O-C 3.31Å; L927-G942 WeakPolarHBondContact O-CA 3.45Å; D928-G942 WeakPolarHBondContact O-CA 3.45Å
943R93.1Very high93Very high198 Ų19869.5 Ų69.575%0.74735%0.349SS*.SBendtrans-100.6-15.8-176.2-65178.8178.6-178.8-1.1113.5L927 D928 T945L927-R943 PolarHBondContact O-N 3.12Å; D928-R943 PolarHBondContact O-N 2.93Å; D928-R943 VanDerWaalsContact O-N 3.16Å; R943-T945 PolarHBondContact O-N 2.93Å; R943-T945 VanDerWaalsContact O-N 3.07Å
944N92.3Very high93.1Very high57 Ų5770.1 Ų70.131%0.30534%0.339SS..  trans-80.985.4179.7-172.93.1000110.9I899 L926 L927 D928 Q946 C947I899-N944 WeakPolarHBondContact CG2-O 3.43Å; L926-N944 PolarHBondContact O-ND2 2.87Å; L927-N944 WeakPolarHBondContact O-CB 3.38Å; L927-N944 PolarHBondContact O-N 3.06Å; D928-N944 HydrophobicContact CB-CB 4.06Å; N944-Q946 VanDerWaalsContact C-N 3.27Å; N944-Q946 PolarHBondContact O-N 2.82Å; N944-Q946 PolarHBondContact OD1-N 3.05Å; N944-C947 WeakPolarHBondContact ND2-CB 3.3Å; N944-C947 PolarHBondContact O-SG 2.96Å
945T90.1Very high93.1Very high43 Ų4362.3 Ų62.326%0.26431%0.305SS..G310 helixtrans-73.4-15.7-177.854.40000114.2V892 R943V892-T945 HydrophobicContact CG1-CG2 3.85Å; R943-T945 PolarHBondContact O-N 2.93Å; R943-T945 VanDerWaalsContact O-N 3.07Å
946Q91.4Very high93.2Very high180 Ų18061.4 Ų61.484%0.84130%0.301SS*.G310 helixtrans-84-14.9-177.2-64-173.9-700113.4N944 L948N944-Q946 VanDerWaalsContact C-N 3.27Å; N944-Q946 PolarHBondContact O-N 2.82Å; N944-Q946 PolarHBondContact OD1-N 3.05Å; Q946-L948 VanDerWaalsContact C-N 3.28Å; Q946-L948 PolarHBondContact O-N 2.89Å
947C91.6Very high93.1Very high3 Ų363.9 Ų63.92%0.0231%0.311CS..G310 helixtrans-83.29.4-176.371.50000115.1L926 N944 Q949 E950 A951L926-C947 HydrophobicContact CD1-CB 3.91Å; L926-C947 HydrophobicContact CD2-CB 4.39Å; L926-C947 HydrophobicContact CG-CB 3.84Å; L926-C947 PolarHBondContact O-SG 2.95Å; N944-C947 WeakPolarHBondContact ND2-CB 3.3Å; N944-C947 PolarHBondContact O-SG 2.96Å; C947-Q949 VanDerWaalsContact C-N 3.33Å; C947-Q949 PolarHBondContact O-N 3.32Å; C947-E950 PolarHBondContact O-N 3.35Å; C947-E950 VanDerWaalsContact O-N 3.16Å; C947-A951 WeakPolarHBondContact O-CB 3.37Å; C947-A951 PolarHBondContact O-N 2.89Å
948L91.6Very high93Very high15 Ų1562.2 Ų62.28%0.07930%0.297CS..Hα-helixtrans-54.9-45.3-171.4179.961.1000113.3E861 F890 V892 I899 Q946 A951 L952E861-L948 HydrophobicContact CG-CD2 3.86Å; E861-L948 WeakPolarHBondContact OE1-CD2 2.99Å; F890-L948 HydrophobicContact CB-CD1 3.62Å; F890-L948 HydrophobicContact CD1-CD1 4.24Å; F890-L948 HydrophobicContact CG-CD1 4.14Å; V892-L948 HydrophobicContact CG2-CB 4.29Å; V892-L948 HydrophobicContact CG2-CD1 4.31Å; V892-L948 HydrophobicContact CG2-CD2 3.85Å; V892-L948 HydrophobicContact CG2-CG 4.4Å; I899-L948 HydrophobicContact CD1-CB 4.16Å; I899-L948 HydrophobicContact CD1-CD1 3.85Å; Q946-L948 VanDerWaalsContact C-N 3.28Å; Q946-L948 PolarHBondContact O-N 2.89Å; L948-A951 PolarHBondContact O-N 2.87Å; L948-L952 HydrophobicContact CD1-CD1 4.43Å; L948-L952 HydrophobicContact CD1-CG 4.38Å; L948-L952 HydrophobicContact CG-CD1 4.27Å; L948-L952 VanDerWaalsContact O-CG 3.3Å; L948-L952 WeakPolarHBondContact O-CG 3.4Å; L948-L952 PolarHBondContact O-N 3.44Å
949Q92.4Very high92.7Very high131 Ų13161.9 Ų61.961%0.61229%0.294SS*.Hα-helixtrans-66.3-43.2-179.9-66.9-60.3-38.700112C947 A951 L952 Q953C947-Q949 VanDerWaalsContact C-N 3.33Å; C947-Q949 PolarHBondContact O-N 3.32Å; Q949-A951 VanDerWaalsContact C-N 3.3Å; Q949-A951 PolarHBondContact O-N 3.49Å; Q949-L952 PolarHBondContact O-N 2.77Å; Q949-Q953 PolarHBondContact O-N 2.82Å; Q949-Q953 VanDerWaalsContact O-N 3.08Å
950E92.8Very high92.3Very high119 Ų11963.1 Ų63.156%0.55629%0.294SS*.Hα-helixtrans-63.7-37.8175.1-65.8176.5-171.600111.3L926 C947 Q953 M954L926-E950 HydrophobicContact CD1-CB 4.43Å; L926-E950 WeakPolarHBondContact CD1-OE2 3.18Å; L926-E950 HydrophobicContact CD2-CB 3.87Å; C947-E950 PolarHBondContact O-N 3.35Å; C947-E950 VanDerWaalsContact O-N 3.16Å; E950-Q953 PolarHBondContact O-N 2.89Å; E950-M954 VanDerWaalsContact O-CB 3.25Å; E950-M954 WeakPolarHBondContact O-CB 3.38Å; E950-M954 PolarHBondContact O-N 2.86Å
951A93Very high92Very high0 Ų069 Ų690%033%0.325CS..Hα-helixtrans-69-40.1178.600000112.3F890 L923 L926 L927 C947 L948 Q949 A955F890-A951 HydrophobicContact CE1-CB 3.9Å; F890-A951 HydrophobicContact CZ-CB 4.4Å; L923-A951 HydrophobicContact CD2-CB 4.35Å; L923-A951 WeakPolarHBondContact CD2-O 3.43Å; L926-A951 HydrophobicContact CD2-CB 3.92Å; L927-A951 HydrophobicContact CD2-CB 4.18Å; C947-A951 WeakPolarHBondContact O-CB 3.37Å; C947-A951 PolarHBondContact O-N 2.89Å; L948-A951 PolarHBondContact O-N 2.87Å; Q949-A951 VanDerWaalsContact C-N 3.3Å; Q949-A951 PolarHBondContact O-N 3.49Å; A951-A955 WeakPolarHBondContact O-CB 3.32Å; A951-A955 PolarHBondContact O-N 2.85Å
952L93.2Very high91.7Very high28 Ų2870.1 Ų70.115%0.14733%0.325CS..Hα-helixtrans-62-44.1173.3-70.7167.8000111.1I859 E861 F890 L948 Q949 N956I859-L952 HydrophobicContact CG2-CD2 3.66Å; E861-L952 HydrophobicContact CB-CD1 4.27Å; F890-L952 HydrophobicContact CB-CD2 4.44Å; F890-L952 HydrophobicContact CD2-CD2 3.46Å; F890-L952 VanDerWaalsContact CD2-CD2 3.46Å; F890-L952 HydrophobicContact CD2-CG 4.43Å; F890-L952 HydrophobicContact CE2-CD2 3.87Å; F890-L952 HydrophobicContact CG-CD2 4.1Å; L948-L952 HydrophobicContact CD1-CD1 4.43Å; L948-L952 HydrophobicContact CD1-CG 4.38Å; L948-L952 HydrophobicContact CG-CD1 4.27Å; L948-L952 VanDerWaalsContact O-CG 3.3Å; L948-L952 WeakPolarHBondContact O-CG 3.4Å; L948-L952 PolarHBondContact O-N 3.44Å; Q949-L952 PolarHBondContact O-N 2.77Å; L952-N956 WeakPolarHBondContact O-CB 3.37Å; L952-N956 PolarHBondContact O-N 2.76Å; L952-N956 VanDerWaalsContact O-N 3.11Å
953Q92.8Very high91.2Very high117 Ų11770.9 Ų70.955%0.54733%0.328SS..Hα-helixtrans-64.9-49.9178.2-178176.3-3.500111.8Q949 E950 A955 N956 E957Q949-Q953 PolarHBondContact O-N 2.82Å; Q949-Q953 VanDerWaalsContact O-N 3.08Å; E950-Q953 PolarHBondContact O-N 2.89Å; Q953-A955 VanDerWaalsContact C-N 3.31Å; Q953-A955 PolarHBondContact O-N 2.94Å; Q953-N956 WeakPolarHBondContact O-CB 3.49Å; Q953-N956 PolarHBondContact O-N 2.8Å; Q953-E957 HydrophobicContact CG-CG 4.44Å; Q953-E957 WeakPolarHBondContact CG-OE1 3.46Å; Q953-E957 PolarHBondContact NE2-OE1 3.37Å; Q953-E957 WeakPolarHBondContact O-CG 3.19Å; Q953-E957 PolarHBondContact O-N 3.14Å
954M93.6Very high90.1Very high61 Ų6164.7 Ų64.730%0.333%0.326SS..Hα-helixtrans-60.6-40.8179.1-176.9-179.5-70.400111.6E922 L923 L926 E950 N956 E957 F958E922-M954 HydrophobicContact CG-CG 4.43Å; E922-M954 HydrophobicContact CG-SD 4.41Å; L923-M954 HydrophobicContact CD2-CB 3.98Å; L923-M954 HydrophobicContact CD2-CG 3.98Å; L923-M954 HydrophobicContact CD2-SD 3.98Å; L926-M954 HydrophobicContact CB-CE 4.46Å; L926-M954 HydrophobicContact CB-SD 4.46Å; L926-M954 HydrophobicContact CD2-CE 3.9Å; L926-M954 HydrophobicContact CD2-SD 4.12Å; E950-M954 VanDerWaalsContact O-CB 3.25Å; E950-M954 WeakPolarHBondContact O-CB 3.38Å; E950-M954 PolarHBondContact O-N 2.86Å; M954-N956 VanDerWaalsContact C-N 3.29Å; M954-N956 PolarHBondContact O-N 3.41Å; M954-E957 PolarHBondContact O-N 3.06Å; M954-F958 WeakPolarHBondContact O-CB 3.44Å; M954-F958 PolarHBondContact O-N 2.87Å
955A94Very high88.5Confident0 Ų067 Ų670%034%0.335CS..Hα-helixtrans-60.6-40.8174.500000111.5I859 M888 F890 W919 L923 A951 Q953 A959I859-A955 VanDerWaalsContact CD1-C 3.5Å; I859-A955 HydrophobicContact CD1-CB 3.97Å; I859-A955 HydrophobicContact CG2-CB 4.19Å; M888-A955 HydrophobicContact SD-CB 3.78Å; F890-A955 HydrophobicContact CE2-CB 4.23Å; F890-A955 HydrophobicContact CZ-CB 4.08Å; W919-A955 PolarHBondContact NE1-O 3.16Å; L923-A955 HydrophobicContact CD1-CB 4.18Å; L923-A955 HydrophobicContact CD2-CB 4.2Å; A951-A955 WeakPolarHBondContact O-CB 3.32Å; A951-A955 PolarHBondContact O-N 2.85Å; Q953-A955 VanDerWaalsContact C-N 3.31Å; Q953-A955 PolarHBondContact O-N 2.94Å; A955-A959 WeakPolarHBondContact O-CB 3.43Å; A955-A959 PolarHBondContact O-N 3.05Å; A955-A959 VanDerWaalsContact O-N 3.1Å
956N92.6Very high86.2Confident47 Ų4775.7 Ų75.725%0.25138%0.38SS..Hα-helixtrans-69.4-46.3179.7-174.460.4000112.5I859 L952 Q953 M954 F958 A959 R960I859-N956 HydrophobicContact CD1-CB 3.65Å; I859-N956 VanDerWaalsContact CD1-N 3.28Å; L952-N956 WeakPolarHBondContact O-CB 3.37Å; L952-N956 PolarHBondContact O-N 2.76Å; L952-N956 VanDerWaalsContact O-N 3.11Å; Q953-N956 WeakPolarHBondContact O-CB 3.49Å; Q953-N956 PolarHBondContact O-N 2.8Å; M954-N956 VanDerWaalsContact C-N 3.29Å; M954-N956 PolarHBondContact O-N 3.41Å; N956-F958 PolarHBondContact O-N 3.3Å; N956-A959 PolarHBondContact O-N 3.37Å; N956-R960 PolarHBondContact ND2-NE 3.26Å; N956-R960 WeakPolarHBondContact O-CG 3.42Å; N956-R960 PolarHBondContact O-N 2.95Å
957E91.7Very high86Confident109 Ų10970.5 Ų70.551%0.50936%0.357SS..Hα-helixtrans-60.8-45177.8-72175.4-173.300111.5Q953 M954 A959 R960 L961Q953-E957 HydrophobicContact CG-CG 4.44Å; Q953-E957 WeakPolarHBondContact CG-OE1 3.46Å; Q953-E957 PolarHBondContact NE2-OE1 3.37Å; Q953-E957 WeakPolarHBondContact O-CG 3.19Å; Q953-E957 PolarHBondContact O-N 3.14Å; M954-E957 PolarHBondContact O-N 3.06Å; E957-A959 PolarHBondContact O-N 3.4Å; E957-R960 PolarHBondContact O-N 3.5Å; E957-L961 WeakPolarHBondContact O-CB 3.32Å; E957-L961 PolarHBondContact O-N 2.55Å
958F92.6Very high85.7Confident25 Ų2574 Ų7411%0.1137%0.374CS..Hα-helixtrans-61.5-44.2176.6-173.5-88000111.9L914 Q918 W919 E922 M954 N956 L961 K962L914-F958 HydrophobicContact CD1-CD1 4.05Å; L914-F958 HydrophobicContact CD1-CE1 4.07Å; Q918-F958 HydrophobicContact CB-CZ 4.11Å; W919-F958 HydrophobicContact CB-CD1 4.24Å; W919-F958 HydrophobicContact CB-CE1 4.12Å; W919-F958 AromaticContact CD1-CD1 3.53Å; W919-F958 HydrophobicContact CG-CD1 4.09Å; W919-F958 HydrophobicContact CG-CE1 4.45Å; E922-F958 HydrophobicContact CB-CD2 4.03Å; E922-F958 HydrophobicContact CB-CE2 4.18Å; E922-F958 HydrophobicContact CG-CD2 3.69Å; E922-F958 HydrophobicContact CG-CE2 4.14Å; E922-F958 HydrophobicContact CG-CG 4.38Å; M954-F958 WeakPolarHBondContact O-CB 3.44Å; M954-F958 PolarHBondContact O-N 2.87Å; N956-F958 PolarHBondContact O-N 3.3Å; F958-L961 PolarHBondContact O-N 2.69Å; F958-K962 HydrophobicContact CD1-CG 4.18Å; F958-K962 HydrophobicContact CE1-CG 3.84Å; F958-K962 HydrophobicContact CZ-CG 4.19Å; F958-K962 WeakPolarHBondContact O-CG 3.12Å; F958-K962 PolarHBondContact O-N 3.37Å; F958-K962 VanDerWaalsContact O-N 3.16Å
959A90.1Very high85.3Confident0 Ų077.3 Ų77.30%039%0.391CS..Hα-helixtrans-63.6-45.8179.300000112L857 L914 W919 A955 N956 E957 L961 K962 L963L857-A959 HydrophobicContact CD1-CB 3.6Å; L857-A959 HydrophobicContact CD2-CB 3.54Å; L857-A959 HydrophobicContact CG-CB 4.23Å; L914-A959 HydrophobicContact CD1-CB 4.3Å; L914-A959 HydrophobicContact CD2-CB 4.01Å; W919-A959 HydrophobicContact CZ2-CB 3.89Å; A955-A959 WeakPolarHBondContact O-CB 3.43Å; A955-A959 PolarHBondContact O-N 3.05Å; A955-A959 VanDerWaalsContact O-N 3.1Å; N956-A959 PolarHBondContact O-N 3.37Å; E957-A959 PolarHBondContact O-N 3.4Å; A959-L961 PolarHBondContact O-N 3.19Å; A959-K962 PolarHBondContact O-N 2.82Å; A959-L963 WeakPolarHBondContact O-CB 3.11Å; A959-L963 VanDerWaalsContact O-CG 3.24Å; A959-L963 WeakPolarHBondContact O-CG 3.36Å; A959-L963 PolarHBondContact O-N 3.45Å
960R87.4Confident84.9Confident128 Ų12874.1 Ų74.148%0.48338%0.378SS..Hα-helixtrans-61.7-44.3177.2-72.9-176.1-179.2-173.9-1.3112.5N956 E957 K962 L963 G964N956-R960 PolarHBondContact ND2-NE 3.26Å; N956-R960 WeakPolarHBondContact O-CG 3.42Å; N956-R960 PolarHBondContact O-N 2.95Å; E957-R960 PolarHBondContact O-N 3.5Å; R960-K962 VanDerWaalsContact C-N 3.25Å; R960-K962 PolarHBondContact O-N 3.46Å; R960-L963 PolarHBondContact O-N 2.62Å; R960-L963 VanDerWaalsContact O-N 3.15Å; R960-G964 PolarHBondContact O-N 3.21Å
961L88.6Confident84.4Confident126 Ų12671.3 Ų71.366%0.6637%0.366SS*.Hα-helixtrans-56.9-39.7176.6-177.171.3000112E957 F958 A959E957-L961 WeakPolarHBondContact O-CB 3.32Å; E957-L961 PolarHBondContact O-N 2.55Å; F958-L961 PolarHBondContact O-N 2.69Å; A959-L961 PolarHBondContact O-N 3.19Å
962K87.5Confident83.8Confident82 Ų8276.1 Ų76.136%0.35739%0.391SS..Hα-helixtrans-80.6-23.6-179.8-65.6-62-179.6-175.10113.8L914 F958 A959 R960L914-K962 HydrophobicContact CB-CB 4.13Å; L914-K962 HydrophobicContact CD1-CB 4.16Å; L914-K962 HydrophobicContact CD1-CG 4.4Å; F958-K962 HydrophobicContact CD1-CG 4.18Å; F958-K962 HydrophobicContact CE1-CG 3.84Å; F958-K962 HydrophobicContact CZ-CG 4.19Å; F958-K962 WeakPolarHBondContact O-CG 3.12Å; F958-K962 PolarHBondContact O-N 3.37Å; F958-K962 VanDerWaalsContact O-N 3.16Å; A959-K962 PolarHBondContact O-N 2.82Å; R960-K962 VanDerWaalsContact C-N 3.25Å; R960-K962 PolarHBondContact O-N 3.46Å
963L82.8Confident83.2Confident20 Ų2079.5 Ų79.511%0.10541%0.408CS..Hα-helixtrans-91.6-12.4-179.5-65.7174.2000114V909 L914 A959 R960V909-L963 HydrophobicContact CG1-CD2 3.61Å; L914-L963 HydrophobicContact CB-CD2 4.02Å; L914-L963 HydrophobicContact CB-CG 4.41Å; L914-L963 HydrophobicContact CD2-CD1 4.02Å; L914-L963 HydrophobicContact CD2-CD2 4.33Å; L914-L963 HydrophobicContact CD2-CG 4.2Å; A959-L963 WeakPolarHBondContact O-CB 3.11Å; A959-L963 VanDerWaalsContact O-CG 3.24Å; A959-L963 WeakPolarHBondContact O-CG 3.36Å; A959-L963 PolarHBondContact O-N 3.45Å; R960-L963 PolarHBondContact O-N 2.62Å; R960-L963 VanDerWaalsContact O-N 3.15Å
964G69Low82.4Confident68 Ų6876.6 Ų76.670%0.70140%0.398SS*.THydrogen-bonded Turntrans81.520174.100000114.6R960R960-G964 PolarHBondContact O-N 3.21Å
965E58.7Low81.5Confident105 Ų10577.9 Ų77.949%0.49141%0.406SS..  trans-100100.6175.6-67.2177.2-179.700108.3
966N42.9Very low80.4Confident225 Ų22585 Ų85100%1.20344%0.443SS*.  trans-81.40170.5-91.7-7.4000111

Retrieved 966 of 966 residues in 4802.7 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).