A0A077ZQ49_TRITR Loading...

NAD kinase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZQ49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.4Very low73.8Confident240 Ų240143.8 Ų143.8100%1.18268%0.679SS**  0113.70-124.5173.6-170.200107.4K3M1-K3 PolarHBondContact O-N 2.66Å
2K53.3Low75.2Confident203 Ų203133.8 Ų133.888%0.88364%0.638SS**  trans-62.2121.4166.6-83.1-174.9175.1-175.60105.9R4K2-R4 PolarHBondContact O-N 3.15Å; K2-R4 VanDerWaalsContact O-N 3.1Å
3K58Low76.7Confident186 Ų186128.6 Ų128.681%0.80962%0.616SS**  trans-56.1120.5169.9-71.5-176.8177.7-178.20105.8M1 S5M1-K3 PolarHBondContact O-N 2.66Å; K3-S5 PolarHBondContact O-N 3.23Å
4R66Low78Confident173 Ų173127.4 Ų127.465%0.65362%0.615SS**  trans-72.579.9174.2-68.9-178.9177.3-176.1-1.3107.4K2 E6 E7 Y8K2-R4 PolarHBondContact O-N 3.15Å; K2-R4 VanDerWaalsContact O-N 3.1Å; R4-E6 PolarHBondContact O-N 2.88Å; R4-E6 VanDerWaalsContact O-N 3.13Å; R4-E7 HydrophobicContact CB-CG 4.02Å; R4-E7 WeakPolarHBondContact CD-OE1 3.49Å; R4-E7 IonicContact CZ-OE1 3.23Å; R4-E7 IonicContact NE-OE1 3.79Å; R4-E7 IonicContact NH1-OE1 3.85Å; R4-E7 PolarHBondContact NH1-OE1 3.3Å; R4-E7 PolarHBondContact O-N 3.48Å; R4-E7 VanDerWaalsContact O-N 3.09Å; R4-Y8 WeakPolarHBondContact O-CD2 3.15Å
5S71.1Confident79.2Confident88 Ų88122.5 Ų122.562%0.61559%0.587SS**Hα-helixtrans-55.4-30.6-175.845.50000112.3K3 E7 Y8 L9K3-S5 PolarHBondContact O-N 3.23Å; S5-E7 VanDerWaalsContact C-N 3.31Å; S5-E7 PolarHBondContact O-N 3.49Å; S5-Y8 PolarHBondContact O-N 2.88Å; S5-Y8 VanDerWaalsContact O-N 3.16Å; S5-L9 PolarHBondContact O-N 3.17Å
6E80.4Confident80.2Confident163 Ų163119.1 Ų119.176%0.76257%0.573SS**Hα-helixtrans-58.1-37.4177-64.1175.3-168.200113.2R4 Y8 L9 P10R4-E6 PolarHBondContact O-N 2.88Å; R4-E6 VanDerWaalsContact O-N 3.13Å; E6-Y8 PolarHBondContact O-N 3.38Å; E6-L9 WeakPolarHBondContact O-CB 3.3Å; E6-L9 PolarHBondContact O-N 3.06Å; E6-P10 WeakPolarHBondContact O-CD 3.41Å
7E84.6Confident81.1Confident118 Ų118121.6 Ų121.655%0.55158%0.581SS**Hα-helixtrans-66-26.2-179.7-66.7175.3178.500111.9R4 S5R4-E7 HydrophobicContact CB-CG 4.02Å; R4-E7 WeakPolarHBondContact CD-OE1 3.49Å; R4-E7 IonicContact CZ-OE1 3.23Å; R4-E7 IonicContact NE-OE1 3.79Å; R4-E7 IonicContact NH1-OE1 3.85Å; R4-E7 PolarHBondContact NH1-OE1 3.3Å; R4-E7 PolarHBondContact O-N 3.48Å; R4-E7 VanDerWaalsContact O-N 3.09Å; S5-E7 VanDerWaalsContact C-N 3.31Å; S5-E7 PolarHBondContact O-N 3.49Å
8Y84.1Confident82Confident138 Ų138119.7 Ų119.754%0.54158%0.582SS.*Hα-helixtrans-95.1-9.3179.5-59.5-75.3000113.4R4 S5 E6 E11 A12R4-Y8 WeakPolarHBondContact O-CD2 3.15Å; S5-Y8 PolarHBondContact O-N 2.88Å; S5-Y8 VanDerWaalsContact O-N 3.16Å; E6-Y8 PolarHBondContact O-N 3.38Å; Y8-E11 PolarHBondContact O-N 2.61Å; Y8-A12 WeakPolarHBondContact O-CB 3.24Å; Y8-A12 PolarHBondContact O-N 3.02Å
9L89.3Confident82.7Confident99 Ų99115.5 Ų115.552%0.51857%0.573SS.*Hα-helixtrans-61.6-44.3-175.7-17864000112.7S5 E6 E11 A12 L13S5-L9 PolarHBondContact O-N 3.17Å; E6-L9 WeakPolarHBondContact O-CB 3.3Å; E6-L9 PolarHBondContact O-N 3.06Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-E11 PolarHBondContact O-N 2.62Å; L9-A12 PolarHBondContact O-N 3.12Å; L9-L13 HydrophobicContact CD1-CD1 4.19Å; L9-L13 HydrophobicContact CD1-CD2 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.04Å; L9-L13 HydrophobicContact CG-CD1 4.03Å; L9-L13 HydrophobicContact CG-CG 4.31Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.1Å
10P92.8Very high83.4Confident78 Ų78112.2 Ų112.251%0.50656%0.558SS.*Hα-helixtrans-59.9-42.5177.1-24.935.5000112.9E6 L13 N14E6-P10 WeakPolarHBondContact O-CD 3.41Å; P10-L13 PolarHBondContact O-N 2.99Å; P10-N14 WeakPolarHBondContact O-CB 3.44Å; P10-N14 PolarHBondContact O-N 3.02Å; P10-N14 PolarHBondContact O-ND2 2.81Å
11E92Very high84Confident96 Ų96108.4 Ų108.445%0.44954%0.538SS..Hα-helixtrans-65.4-45.5177.6-168.2-160.5136.100111.3Y8 L9 L13 N14 R15Y8-E11 PolarHBondContact O-N 2.61Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-E11 PolarHBondContact O-N 2.62Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.49Å; E11-N14 PolarHBondContact O-N 3.32Å; E11-R15 WeakPolarHBondContact O-CG 3.39Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE1-CZ 3.72Å; E11-R15 IonicContact OE1-NH1 2.75Å; E11-R15 PolarHBondContact OE1-NH1 3.12Å
12A91Very high86.7Confident23 Ų2399.8 Ų99.819%0.1950%0.499CS..Hα-helixtrans-59.6-42.8177.200000111.9Y8 L9 R15 L16 F271Y8-A12 WeakPolarHBondContact O-CB 3.24Å; Y8-A12 PolarHBondContact O-N 3.02Å; L9-A12 PolarHBondContact O-N 3.12Å; A12-R15 PolarHBondContact O-N 3.07Å; A12-L16 WeakPolarHBondContact O-CB 3.17Å; A12-L16 PolarHBondContact O-N 3.18Å; A12-F271 HydrophobicContact CB-CE2 3.61Å; A12-F271 HydrophobicContact CB-CZ 3.76Å; A12-F271 VanDerWaalsContact O-CE1 3.27Å; A12-F271 WeakPolarHBondContact O-CE1 3.3Å; A12-F271 VanDerWaalsContact O-CZ 3.25Å; A12-F271 WeakPolarHBondContact O-CZ 3.4Å
13L93.7Very high88.7Confident67 Ų6795.5 Ų95.535%0.35148%0.478SS..Hα-helixtrans-66.1-43.5176.2-70.9176.1000111.7L9 P10 E11 R15 L16 F17L9-L13 HydrophobicContact CD1-CD1 4.19Å; L9-L13 HydrophobicContact CD1-CD2 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.04Å; L9-L13 HydrophobicContact CG-CD1 4.03Å; L9-L13 HydrophobicContact CG-CG 4.31Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.1Å; P10-L13 PolarHBondContact O-N 2.99Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.49Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.87Å; L13-L16 WeakPolarHBondContact O-CB 3.29Å; L13-L16 PolarHBondContact O-N 2.89Å; L13-F17 HydrophobicContact CB-CD2 4.33Å; L13-F17 HydrophobicContact CB-CE2 4.01Å; L13-F17 HydrophobicContact CD2-CE2 4.37Å; L13-F17 HydrophobicContact CD2-CZ 4.44Å; L13-F17 WeakPolarHBondContact O-CB 3.17Å; L13-F17 WeakPolarHBondContact O-CD2 3.29Å; L13-F17 WeakPolarHBondContact O-CG 3.35Å; L13-F17 PolarHBondContact O-N 3.16Å
14N95.8Very high90.6Very high112 Ų11287.4 Ų87.460%0.59944%0.443SS*.Hα-helixtrans-58.2-44.7176-74.4-21000111.4P10 E11 F17 S18P10-N14 WeakPolarHBondContact O-CB 3.44Å; P10-N14 PolarHBondContact O-N 3.02Å; P10-N14 PolarHBondContact O-ND2 2.81Å; E11-N14 PolarHBondContact O-N 3.32Å; N14-F17 PolarHBondContact O-N 3.35Å; N14-S18 WeakPolarHBondContact O-CB 3.18Å; N14-S18 PolarHBondContact O-N 2.7Å; N14-S18 PolarHBondContact O-OG 2.85Å; N14-S18 VanDerWaalsContact O-OG 3.1Å
15R95.6Very high92.1Very high53 Ų5384.3 Ų84.320%0.243%0.432CS..Hα-helixtrans-68.2-36.4177.8-68.1168.678.1-170-3.4112.1E11 A12 L13 S18 G19 D20 F271 R272E11-R15 WeakPolarHBondContact O-CG 3.39Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE1-CZ 3.72Å; E11-R15 IonicContact OE1-NH1 2.75Å; E11-R15 PolarHBondContact OE1-NH1 3.12Å; A12-R15 PolarHBondContact O-N 3.07Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.87Å; R15-S18 WeakPolarHBondContact CA-OG 3.46Å; R15-S18 PolarHBondContact O-OG 3Å; R15-G19 PolarHBondContact O-N 2.58Å; R15-D20 HydrophobicContact CB-CB 4.09Å; R15-D20 HydrophobicContact CG-CB 4.31Å; R15-D20 IonicContact NE-OD2 3.71Å; R15-D20 PolarHBondContact NE-OD2 3.36Å; R15-D20 VanDerWaalsContact NE-OD2 3.17Å; R15-D20 PolarHBondContact O-N 3.48Å; R15-F271 HydrophobicContact CB-CD1 3.58Å; R15-F271 HydrophobicContact CB-CE1 3.99Å; R15-F271 HydrophobicContact CB-CG 4.22Å; R15-F271 PolarHBondContact NH2-O 3.07Å; R15-R272 VanDerWaalsContact NH2-N 3.13Å; R15-R272 PolarHBondContact NH2-O 3.42Å
16L95Very high93.4Very high69 Ų6983.4 Ų83.436%0.36142%0.415SS..Hα-helixtrans-62.9-45.7173.4-172.966.1000111.4A12 L13 G19 F21 V269 F271A12-L16 WeakPolarHBondContact O-CB 3.17Å; A12-L16 PolarHBondContact O-N 3.18Å; L13-L16 WeakPolarHBondContact O-CB 3.29Å; L13-L16 PolarHBondContact O-N 2.89Å; L16-G19 PolarHBondContact O-N 2.91Å; L16-F21 HydrophobicContact CD1-CD1 4.16Å; L16-F21 HydrophobicContact CD1-CE1 3.91Å; L16-F21 HydrophobicContact CD1-CZ 4.34Å; L16-V269 HydrophobicContact CD1-CG1 4.27Å; L16-F271 HydrophobicContact CB-CE1 4.05Å
17F96.3Very high94.2Very high162 Ų16276.4 Ų76.471%0.71138%0.382SS*.Hα-helixtrans-75.7-28.1-178.4-64.2-44.8000113.7L13 N14 G19L13-F17 HydrophobicContact CB-CD2 4.33Å; L13-F17 HydrophobicContact CB-CE2 4.01Å; L13-F17 HydrophobicContact CD2-CE2 4.37Å; L13-F17 HydrophobicContact CD2-CZ 4.44Å; L13-F17 WeakPolarHBondContact O-CB 3.17Å; L13-F17 WeakPolarHBondContact O-CD2 3.29Å; L13-F17 WeakPolarHBondContact O-CG 3.35Å; L13-F17 PolarHBondContact O-N 3.16Å; N14-F17 PolarHBondContact O-N 3.35Å; F17-G19 VanDerWaalsContact C-N 3.29Å
18S96.5Very high94.9Very high86 Ų8673.1 Ų73.160%0.60136%0.364SS*.Hα-helixtrans-80.8-7.9173.968.50000113.7N14 R15 D20N14-S18 WeakPolarHBondContact O-CB 3.18Å; N14-S18 PolarHBondContact O-N 2.7Å; N14-S18 PolarHBondContact O-OG 2.85Å; N14-S18 VanDerWaalsContact O-OG 3.1Å; R15-S18 WeakPolarHBondContact CA-OG 3.46Å; R15-S18 PolarHBondContact O-OG 3Å; S18-D20 VanDerWaalsContact C-N 3.32Å; S18-D20 WeakPolarHBondContact OG-CB 3.44Å
19G95.6Very high95.6Very high40 Ų4066.6 Ų66.641%0.41234%0.339SS..THydrogen-bonded Turntrans77.117.2-175.400000113.9R15 L16 F17 F21 R272R15-G19 PolarHBondContact O-N 2.58Å; L16-G19 PolarHBondContact O-N 2.91Å; F17-G19 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.44Å; G19-R272 PolarHBondContact O-NH1 3.42Å
20D97Very high96.1Very high50 Ų5063.8 Ų63.827%0.26732%0.321SS..  trans-81.158.6179.9-174.538.3000112.5R15 S18 F271 R272R15-D20 HydrophobicContact CB-CB 4.09Å; R15-D20 HydrophobicContact CG-CB 4.31Å; R15-D20 IonicContact NE-OD2 3.71Å; R15-D20 PolarHBondContact NE-OD2 3.36Å; R15-D20 VanDerWaalsContact NE-OD2 3.17Å; R15-D20 PolarHBondContact O-N 3.48Å; S18-D20 VanDerWaalsContact C-N 3.32Å; S18-D20 WeakPolarHBondContact OG-CB 3.44Å; D20-F271 WeakPolarHBondContact O-CA 3.36Å; D20-R272 PolarHBondContact O-N 3.42Å; D20-R272 WeakPolarHBondContact OD1-CB 3.1Å; D20-R272 IonicContact OD1-NH1 3.83Å
21F96.4Very high96.3Very high33 Ų3360.1 Ų60.115%0.14530%0.297CS..EExtended strand (participates in β ladder)trans-153.1165.9176.866.7-88.4000112.1L16 G19 W23 V269 I270 F271 R272L16-F21 HydrophobicContact CD1-CD1 4.16Å; L16-F21 HydrophobicContact CD1-CE1 3.91Å; L16-F21 HydrophobicContact CD1-CZ 4.34Å; G19-F21 PolarHBondContact O-N 3.44Å; F21-W23 AromaticContact CE2-CD2 3.93Å; F21-W23 HydrophobicContact CE2-CD2 3.93Å; F21-W23 AromaticContact CE2-CE2 3.54Å; F21-W23 HydrophobicContact CE2-CE3 4.28Å; F21-W23 AromaticContact CE2-CH2 3.9Å; F21-W23 HydrophobicContact CE2-CH2 3.9Å; F21-W23 AromaticContact CE2-CZ2 3.53Å; F21-W23 HydrophobicContact CE2-CZ2 3.53Å; F21-W23 HydrophobicContact CE2-CZ3 4.29Å; F21-W23 AromaticContact CE2-NE1 3.9Å; F21-W23 HydrophobicContact CZ-CH2 4.28Å; F21-W23 AromaticContact CZ-CZ2 3.86Å; F21-W23 HydrophobicContact CZ-CZ2 3.86Å; F21-V269 HydrophobicContact CB-CB 4.29Å; F21-V269 HydrophobicContact CD2-CB 3.94Å; F21-V269 HydrophobicContact CD2-CG1 3.56Å; F21-V269 HydrophobicContact CE2-CG1 3.78Å; F21-V269 HydrophobicContact CG-CB 4.25Å; F21-V269 HydrophobicContact CG-CG1 4.16Å; F21-I270 CarbonylContact C-O 3.48Å; F21-I270 WeakPolarHBondContact CA-O 3.48Å; F21-I270 VanDerWaalsContact CB-O 3.3Å; F21-I270 WeakPolarHBondContact CB-O 3.33Å; F21-F271 HydrophobicContact CB-CD1 3.9Å; F21-F271 HydrophobicContact CB-CE1 4.48Å; F21-R272 VanDerWaalsContact O-CZ 3.29Å; F21-R272 PolarHBondContact O-NH1 3.31Å; F21-R272 PolarHBondContact O-NH2 2.74Å
22T96.8Very high96.6Very high59 Ų5956.5 Ų56.536%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-116.2153.516455.20000110.1V269 I270T22-V269 WeakPolarHBondContact O-CA 3.25Å; T22-I270 PolarHBondContact N-O 3.22Å; T22-I270 PolarHBondContact O-N 3.02Å
23W95.7Very high97Very high113 Ų11355.4 Ų55.443%0.42827%0.273SS..EExtended strand (participates in β ladder)trans-79.2140.7170.5-66111.4000110F21 R267 T268 V269F21-W23 AromaticContact CE2-CD2 3.93Å; F21-W23 HydrophobicContact CE2-CD2 3.93Å; F21-W23 AromaticContact CE2-CE2 3.54Å; F21-W23 HydrophobicContact CE2-CE3 4.28Å; F21-W23 AromaticContact CE2-CH2 3.9Å; F21-W23 HydrophobicContact CE2-CH2 3.9Å; F21-W23 AromaticContact CE2-CZ2 3.53Å; F21-W23 HydrophobicContact CE2-CZ2 3.53Å; F21-W23 HydrophobicContact CE2-CZ3 4.29Å; F21-W23 AromaticContact CE2-NE1 3.9Å; F21-W23 HydrophobicContact CZ-CH2 4.28Å; F21-W23 AromaticContact CZ-CZ2 3.86Å; F21-W23 HydrophobicContact CZ-CZ2 3.86Å; W23-R267 HydrophobicContact CD2-CG 4.07Å; W23-R267 HydrophobicContact CE3-CG 3.45Å; W23-R267 VanDerWaalsContact CE3-CG 3.45Å; W23-R267 VanDerWaalsContact CE3-NE 3.29Å; W23-R267 HydrophobicContact CZ3-CG 3.92Å; W23-T268 WeakPolarHBondContact CA-O 3.18Å; W23-V269 HydrophobicContact CE3-CG1 3.74Å; W23-V269 HydrophobicContact CH2-CG1 3.86Å; W23-V269 HydrophobicContact CZ3-CG1 3.31Å
24L96.6Very high97.1Very high15 Ų1553.3 Ų53.38%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-126.4125.6169.8177.283.2000108.6R26 P199 E200 T268 I270L24-R26 HydrophobicContact CD2-CG 3.81Å; L24-R26 HydrophobicContact CG-CG 4.33Å; L24-P199 HydrophobicContact CD2-CB 4.25Å; L24-P199 HydrophobicContact CD2-CG 4.4Å; L24-E200 HydrophobicContact CD1-CG 3.51Å; L24-E200 HydrophobicContact CG-CG 4.25Å; L24-T268 PolarHBondContact N-O 3.13Å; L24-T268 PolarHBondContact O-N 2.67Å; L24-T268 PolarHBondContact O-OG1 3.07Å; L24-I270 HydrophobicContact CB-CD1 3.8Å; L24-I270 HydrophobicContact CB-CG1 3.89Å; L24-I270 HydrophobicContact CD1-CD1 4.04Å; L24-I270 HydrophobicContact CD2-CD1 3.98Å; L24-I270 HydrophobicContact CD2-CG1 4.32Å; L24-I270 HydrophobicContact CG-CD1 4.14Å
25W97.3Very high96.9Very high109 Ų10949.6 Ų49.641%0.41325%0.252SS..EExtended strand (participates in β ladder)trans-99.492.5-180-66.991.1000111.6Q27 E200 A265 R267W25-Q27 PolarHBondContact O-N 2.98Å; W25-Q27 PolarHBondContact O-NE2 3.24Å; W25-E200 PolarHBondContact N-OE1 3.18Å; W25-E200 WeakPolarHBondContact O-CA 3.39Å; W25-E200 WeakPolarHBondContact O-CG 3.38Å; W25-A265 HydrophobicContact CB-CB 4.28Å; W25-A265 HydrophobicContact CE3-CB 3.92Å; W25-R267 HydrophobicContact CD2-CB 4.34Å; W25-R267 HydrophobicContact CD2-CG 4.11Å; W25-R267 HydrophobicContact CE3-CB 3.86Å; W25-R267 HydrophobicContact CE3-CG 4.11Å; W25-R267 HydrophobicContact CH2-CB 3.94Å; W25-R267 VanDerWaalsContact CH2-CD 3.41Å; W25-R267 HydrophobicContact CH2-CG 3.81Å; W25-R267 HydrophobicContact CZ2-CB 4.37Å; W25-R267 HydrophobicContact CZ2-CG 3.75Å; W25-R267 HydrophobicContact CZ3-CB 3.66Å; W25-R267 HydrophobicContact CZ3-CG 3.98Å
26R98.4Very high96.3Very high69 Ų6956.6 Ų56.626%0.2628%0.283SS..EExtended strand (participates in β ladder)trans-72.8117.7179.1-62.2-176.6176.6-87.5-0.7109.6L24 L105 T144 P199 A265 L266 T268L24-R26 HydrophobicContact CD2-CG 3.81Å; L24-R26 HydrophobicContact CG-CG 4.33Å; R26-L105 HydrophobicContact CB-CD1 3.88Å; R26-T144 VanDerWaalsContact NH1-CG2 3.34Å; R26-T144 PolarHBondContact NH1-OG1 3.4Å; R26-T144 VanDerWaalsContact NH1-OG1 3.08Å; R26-P199 WeakPolarHBondContact CA-O 3.38Å; R26-P199 HydrophobicContact CG-CB 4.06Å; R26-A265 CarbonylContact O-C 3.55Å; R26-A265 WeakPolarHBondContact O-CA 2.96Å; R26-L266 HydrophobicContact CB-CB 4.36Å; R26-L266 PolarHBondContact N-O 3.26Å; R26-L266 PolarHBondContact O-N 3.3Å; R26-T268 HydrophobicContact CG-CG2 4.25Å
27Q98.6Very high95.9Very high16 Ų1655.1 Ų55.18%0.07528%0.276CS..  trans-65.4149.4176.4-57.8-50.2-57.100110.6W25 T142 P199 D201 I260W25-Q27 PolarHBondContact O-N 2.98Å; W25-Q27 PolarHBondContact O-NE2 3.24Å; Q27-T142 WeakPolarHBondContact O-CG2 3.16Å; Q27-P199 WeakPolarHBondContact CG-O 3.49Å; Q27-P199 PolarHBondContact N-O 3.18Å; Q27-D201 WeakPolarHBondContact CG-O 3.49Å; Q27-I260 HydrophobicContact CB-CD1 4.11Å; Q27-I260 HydrophobicContact CB-CG2 3.83Å; Q27-I260 HydrophobicContact CG-CG2 4.07Å; Q27-I260 VanDerWaalsContact OE1-CG2 3.24Å
28R98.7Very high95.6Very high49 Ų4947.4 Ų47.419%0.18524%0.242CC..  trans-130.8144.9174.3-61.1-172.6-70.8-178.3-3.1110.1L103 A104 L105 D264 L266R28-L103 HydrophobicContact CB-CB 3.82Å; R28-A104 CarbonylContact C-O 3.51Å; R28-A104 WeakPolarHBondContact CA-O 3.43Å; R28-A104 WeakPolarHBondContact CB-O 3.31Å; R28-L105 HydrophobicContact CG-CD1 4.03Å; R28-D264 PolarHBondContact NE-O 3.36Å; R28-D264 PolarHBondContact NH2-O 3.25Å; R28-L266 HydrophobicContact CG-CB 4.5Å
29I98.8Very high95.4Very high0 Ų047.9 Ų47.90%023%0.234CC..EExtended strand (participates in β ladder)trans-84.3122.1179.9-50.4177.2000108.9V31 L103 A104 V108 V140 T142 L204 L258 I260I29-V31 HydrophobicContact CG2-CG2 4.27Å; I29-L103 CarbonylContact O-C 3.51Å; I29-L103 WeakPolarHBondContact O-CA 3.37Å; I29-A104 HydrophobicContact CB-CB 3.97Å; I29-A104 HydrophobicContact CD1-CB 4.43Å; I29-A104 HydrophobicContact CG1-CB 4.34Å; I29-A104 PolarHBondContact N-O 2.99Å; I29-A104 PolarHBondContact O-N 2.86Å; I29-V108 HydrophobicContact CB-CG2 4.31Å; I29-V108 HydrophobicContact CD1-CG2 4.16Å; I29-V108 HydrophobicContact CG2-CG2 4.17Å; I29-V140 HydrophobicContact CD1-CG1 4.19Å; I29-V140 WeakPolarHBondContact CD1-O 3.47Å; I29-T142 HydrophobicContact CD1-CG2 4.06Å; I29-T142 HydrophobicContact CG1-CG2 3.55Å; I29-L204 HydrophobicContact CB-CD2 4.34Å; I29-L204 HydrophobicContact CD1-CD2 3.82Å; I29-L204 HydrophobicContact CG1-CD2 3.68Å; I29-L204 HydrophobicContact CG2-CD2 3.9Å; I29-L258 HydrophobicContact CG2-CB 4Å; I29-L258 HydrophobicContact CG2-CD2 4.25Å; I29-L258 HydrophobicContact CG2-CG 4.3Å; I29-I260 HydrophobicContact CG1-CG1 4.49Å
30R98.6Very high95.1Very high41 Ų4147.2 Ų47.216%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-85.2133.5166.7-177-178.7-70.1-1772.4109.3L99 L103 L258 E259 N261 D264R30-L99 HydrophobicContact CG-CD1 3.4Å; R30-L99 VanDerWaalsContact CG-CD1 3.4Å; R30-L103 HydrophobicContact CB-CD2 3.92Å; R30-L103 HydrophobicContact CG-CD2 4.18Å; R30-L258 WeakPolarHBondContact O-CA 3.49Å; R30-E259 HydrophobicContact CB-CG 4.28Å; R30-E259 PolarHBondContact N-O 2.84Å; R30-E259 PolarHBondContact O-N 3.07Å; R30-E259 VanDerWaalsContact O-N 3.08Å; R30-N261 WeakPolarHBondContact CD-ND2 3.33Å; R30-N261 PolarHBondContact NE-ND2 3.4Å; R30-N261 VanDerWaalsContact NE-ND2 3.17Å; R30-N261 PolarHBondContact NH1-ND2 3Å; R30-D264 IonicContact CZ-OD1 3.42Å; R30-D264 IonicContact CZ-OD2 3.83Å; R30-D264 IonicContact NE-OD1 3.51Å; R30-D264 IonicContact NE-OD2 2.87Å; R30-D264 PolarHBondContact NE-OD2 3.08Å; R30-D264 IonicContact NH2-OD1 3.03Å; R30-D264 PolarHBondContact NH2-OD1 3.15Å; R30-D264 IonicContact NH2-OD2 3.26Å; R30-D264 PolarHBondContact NH2-OD2 3.48Å
31V98.7Very high94.8Very high0 Ų050 Ų500%024%0.236CC..EExtended strand (participates in β ladder)trans-119.7127.4177.6-175.80000109.8I29 L33 L100 V108 L240 I242 A256 K257 L258I29-V31 HydrophobicContact CG2-CG2 4.27Å; V31-L33 HydrophobicContact CG1-CD2 4.11Å; V31-L100 HydrophobicContact CB-CB 4.33Å; V31-L100 HydrophobicContact CB-CD1 3.92Å; V31-L100 HydrophobicContact CB-CG 4.22Å; V31-L100 HydrophobicContact CG1-CD1 3.7Å; V31-L100 HydrophobicContact CG1-CG 4.19Å; V31-L100 WeakPolarHBondContact O-CB 3.3Å; V31-L100 PolarHBondContact O-N 2.85Å; V31-V108 HydrophobicContact CG2-CG2 3.93Å; V31-L240 HydrophobicContact CG1-CD1 3.69Å; V31-L240 HydrophobicContact CG1-CD2 4.22Å; V31-I242 HydrophobicContact CG2-CD1 4.48Å; V31-A256 HydrophobicContact CG1-CB 4.49Å; V31-K257 WeakPolarHBondContact CA-O 3.34Å; V31-L258 HydrophobicContact CG2-CG 4.35Å
32T98.4Very high94.7Very high20 Ų2049.7 Ų49.712%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-115124.6170.4-57.90000108.9E97 R98 A256 K257T32-E97 HydrophobicContact CG2-CB 3.92Å; T32-R98 CarbonylContact C-O 3.51Å; T32-R98 WeakPolarHBondContact CA-O 3.22Å; T32-A256 CarbonylContact O-C 3.52Å; T32-A256 WeakPolarHBondContact O-CA 3.42Å; T32-K257 PolarHBondContact N-O 3.33Å; T32-K257 PolarHBondContact O-N 2.83Å
33L98.1Very high94.3Very high1 Ų149.5 Ų49.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-99.5145.2175.4-64.4-172.6000111.2V31 A38 E97 R98 L100 L240 Y248 F250 V255 A256V31-L33 HydrophobicContact CG1-CD2 4.11Å; L33-A38 HydrophobicContact CB-CB 3.79Å; L33-E97 CarbonylContact O-C 3.53Å; L33-E97 WeakPolarHBondContact O-CA 3.38Å; L33-R98 PolarHBondContact N-O 3.45Å; L33-R98 PolarHBondContact O-N 3.35Å; L33-L100 HydrophobicContact CD1-CD1 4.04Å; L33-L100 HydrophobicContact CD1-CD2 3.85Å; L33-L100 HydrophobicContact CD1-CG 4.3Å; L33-L100 HydrophobicContact CG-CD1 4.01Å; L33-L100 HydrophobicContact CG-CD2 3.96Å; L33-L100 HydrophobicContact CG-CG 4.04Å; L33-L240 HydrophobicContact CD2-CD1 4.11Å; L33-Y248 HydrophobicContact CD1-CD1 4.34Å; L33-Y248 HydrophobicContact CD1-CG 4.49Å; L33-F250 HydrophobicContact CD2-CD2 4.16Å; L33-F250 HydrophobicContact CD2-CE2 4.13Å; L33-V255 CarbonylContact C-O 3.59Å; L33-V255 VanDerWaalsContact CA-O 3.3Å; L33-V255 WeakPolarHBondContact CA-O 3.26Å; L33-A256 HydrophobicContact CD2-CB 3.66Å
34S97Very high93.8Very high23 Ų2346.5 Ų46.516%0.16123%0.226CC..EExtended strand (participates in β ladder)trans-140.4159.7168.269.30000111.3T254 V255S34-T254 WeakPolarHBondContact O-CA 3.3Å; S34-V255 PolarHBondContact N-O 3.15Å; S34-V255 PolarHBondContact O-N 3.12Å
35G91.7Very high93.2Very high33 Ų3349 Ų4934%0.3424%0.239SC..SBendtrans99.9-172.9-176.400000114N37 A38G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 2.9Å; G35-N37 VanDerWaalsContact O-N 3.13Å; G35-A38 WeakPolarHBondContact O-CB 3.35Å; G35-A38 PolarHBondContact O-N 3.42Å; G35-A38 VanDerWaalsContact O-N 3.12Å
36K82.3Confident91.8Very high200 Ų20045.2 Ų45.287%0.8723%0.226SC*.THydrogen-bonded Turntrans-58.4-32.8-165.4-170.6177.9178.8-177.60114.1
37N86Confident89.9Confident38 Ų3847.6 Ų47.620%0.20324%0.244CC..THydrogen-bonded Turntrans-100.92.8-177-59.198.2000114.1G35 F39 A40 I249 T254G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 2.9Å; G35-N37 VanDerWaalsContact O-N 3.13Å; N37-F39 PolarHBondContact O-N 3.31Å; N37-F39 VanDerWaalsContact O-N 3.09Å; N37-A40 WeakPolarHBondContact O-CB 3.47Å; N37-A40 PolarHBondContact O-N 3.33Å; N37-I249 HydrophobicContact CB-CB 4.46Å; N37-I249 HydrophobicContact CB-CG2 3.98Å; N37-T254 WeakPolarHBondContact CB-OG1 3.24Å
38A89.9Confident87.9Confident0 Ų053.2 Ų53.20%027%0.27CS..THydrogen-bonded Turntrans-58.2-30.7-174.600000113.7L33 G35 R98L33-A38 HydrophobicContact CB-CB 3.79Å; G35-A38 WeakPolarHBondContact O-CB 3.35Å; G35-A38 PolarHBondContact O-N 3.42Å; G35-A38 VanDerWaalsContact O-N 3.12Å; A38-R98 HydrophobicContact CB-CB 4.47Å; A38-R98 WeakPolarHBondContact O-CD 3.49Å; A38-R98 PolarHBondContact O-NH1 3.37Å
39F92Very high85.6Confident97 Ų9756 Ų5643%0.42529%0.285SS..THydrogen-bonded Turntrans-101.18.1-178.2-66.1-92.6000114N37 F96 R98N37-F39 PolarHBondContact O-N 3.31Å; N37-F39 VanDerWaalsContact O-N 3.09Å; F39-F96 HydrophobicContact CE2-CB 3.42Å; F39-F96 VanDerWaalsContact CE2-CB 3.42Å; F39-F96 HydrophobicContact CZ-CB 3.76Å; F39-R98 HydrophobicContact CD1-CB 4.3Å; F39-R98 HydrophobicContact CD1-CG 4.34Å; F39-R98 HydrophobicContact CE1-CB 3.88Å; F39-R98 HydrophobicContact CE1-CG 4.12Å; F39-R98 HydrophobicContact CE2-CB 4.19Å; F39-R98 HydrophobicContact CZ-CB 3.81Å
40A90.6Very high83.4Confident26 Ų2663.5 Ų63.522%0.21532%0.324CS..SBendtrans-59.8142.5171.400000110.1N37 R98 I249N37-A40 WeakPolarHBondContact O-CB 3.47Å; N37-A40 PolarHBondContact O-N 3.33Å; A40-R98 PolarHBondContact O-NH1 3Å; A40-I249 HydrophobicContact CB-CB 4.29Å; A40-I249 HydrophobicContact CB-CD1 4.13Å; A40-I249 HydrophobicContact CB-CG1 4.48Å
41E90.7Very high81.1Confident109 Ų10969.7 Ų69.751%0.50936%0.357SS..PPolyproline II helixtrans-67.4135.6174-69.3-58.2151.600109.4
42P93.2Very high78.6Confident25 Ų2578.6 Ų78.616%0.16239%0.392CS..PPolyproline II helixtrans-71.3159175.731.8-34.1000110.7M246 S247 Y248P42-M246 HydrophobicContact CB-CE 3.56Å; P42-M246 HydrophobicContact CG-CE 3.53Å; P42-S247 CarbonylContact C-O 3.54Å; P42-S247 WeakPolarHBondContact CA-O 3.36Å; P42-S247 WeakPolarHBondContact CB-O 3.33Å; P42-Y248 HydrophobicContact CB-CD1 3.79Å; P42-Y248 HydrophobicContact CB-CD2 4.24Å; P42-Y248 HydrophobicContact CB-CE1 3.55Å; P42-Y248 HydrophobicContact CB-CE2 4.02Å; P42-Y248 HydrophobicContact CB-CG 4.13Å; P42-Y248 HydrophobicContact CG-CD1 4.45Å; P42-Y248 HydrophobicContact CG-CE1 3.79Å
43V89.2Confident76.2Confident55 Ų5580.2 Ų80.233%0.33340%0.403SS..EExtended strand (participates in β ladder)trans-107.8131.2171.3-179.10000108.1L45 Q48 S247V43-L45 PolarHBondContact O-N 2.92Å; V43-Q48 HydrophobicContact CG1-CG 3.41Å; V43-Q48 VanDerWaalsContact CG1-CG 3.41Å; V43-S247 PolarHBondContact N-O 3.34Å; V43-S247 WeakPolarHBondContact O-CB 3.37Å; V43-S247 PolarHBondContact O-N 3.27Å
44E85.3Confident73.9Confident51 Ų5184.5 Ų84.524%0.23842%0.423CS..EExtended strand (participates in β ladder)trans-76.9117.3170-51.5-163.1-172.900108F46 D47 Q48 M246E44-F46 PolarHBondContact O-N 3.1Å; E44-D47 HydrophobicContact CB-CB 4.27Å; E44-D47 WeakPolarHBondContact O-CB 3.46Å; E44-D47 PolarHBondContact O-N 3.42Å; E44-Q48 PolarHBondContact O-N 2.83Å; E44-M246 HydrophobicContact CB-SD 4.44Å; E44-M246 HydrophobicContact CG-CE 3.78Å; E44-M246 HydrophobicContact CG-SD 3.73Å
45L83.1Confident71.7Confident67 Ų6792.2 Ų92.235%0.35145%0.45SS..THydrogen-bonded Turntrans-66.4-21.5-177.6-68.4178.8000112.2V43 D47 Q48 V241 G245V43-L45 PolarHBondContact O-N 2.92Å; L45-D47 VanDerWaalsContact C-N 3.29Å; L45-Q48 PolarHBondContact O-N 2.82Å; L45-V241 HydrophobicContact CD1-CG1 3.56Å; L45-V241 HydrophobicContact CD1-CG2 4.27Å; L45-G245 WeakPolarHBondContact CB-O 3.3Å; L45-G245 WeakPolarHBondContact CG-O 3.21Å; L45-G245 PolarHBondContact N-O 2.94Å
46F67.8Low69.9Low29 Ų2998.3 Ų98.313%0.12746%0.463CS..THydrogen-bonded Turntrans-69.2-29.2173.7-35.7-53.2000112.3E44 Q49 W57E44-F46 PolarHBondContact O-N 3.1Å; F46-Q49 VanDerWaalsContact O-CG 3.23Å; F46-Q49 WeakPolarHBondContact O-CG 3.45Å; F46-W57 HydrophobicContact CD1-CB 4.16Å; F46-W57 AromaticContact CD1-CD1 3.2Å; F46-W57 AromaticContact CD1-CG 3.82Å; F46-W57 HydrophobicContact CD1-CG 3.82Å; F46-W57 AromaticContact CD1-NE1 3.77Å; F46-W57 HydrophobicContact CD2-CB 4.34Å; F46-W57 HydrophobicContact CE1-CB 3.67Å; F46-W57 AromaticContact CE1-CD1 2.86Å; F46-W57 AromaticContact CE1-CD2 3.77Å; F46-W57 HydrophobicContact CE1-CD2 3.77Å; F46-W57 AromaticContact CE1-CE2 3.8Å; F46-W57 AromaticContact CE1-CG 3.15Å; F46-W57 HydrophobicContact CE1-CG 3.15Å; F46-W57 AromaticContact CE1-NE1 3.23Å; F46-W57 HydrophobicContact CE2-CB 3.8Å; F46-W57 HydrophobicContact CE2-CG 4.19Å; F46-W57 HydrophobicContact CG-CB 4.47Å; F46-W57 HydrophobicContact CZ-CB 3.39Å; F46-W57 AromaticContact CZ-CD1 3.57Å; F46-W57 AromaticContact CZ-CD2 3.88Å; F46-W57 HydrophobicContact CZ-CD2 3.88Å; F46-W57 AromaticContact CZ-CG 3.3Å; F46-W57 HydrophobicContact CZ-CG 3.3Å
47D58.8Low68.4Low120 Ų12091.6 Ų91.664%0.64243%0.432SS*.THydrogen-bonded Turntrans-79.6-22.3176.8-71.6-15.7000111.9E44 L45 Q49E44-D47 HydrophobicContact CB-CB 4.27Å; E44-D47 WeakPolarHBondContact O-CB 3.46Å; E44-D47 PolarHBondContact O-N 3.42Å; L45-D47 VanDerWaalsContact C-N 3.29Å; D47-Q49 PolarHBondContact O-N 3.46Å
48Q57.4Low66.8Low134 Ų13492.9 Ų92.963%0.62644%0.444SS*.THydrogen-bonded Turntrans-75.721.6176.8-69.9-101.6-53.900113.2V43 E44 L45 L50V43-Q48 HydrophobicContact CG1-CG 3.41Å; V43-Q48 VanDerWaalsContact CG1-CG 3.41Å; E44-Q48 PolarHBondContact O-N 2.83Å; L45-Q48 PolarHBondContact O-N 2.82Å; Q48-L50 PolarHBondContact O-N 3.45Å; Q48-L50 VanDerWaalsContact O-N 3.1Å
49Q49.9Very low65.1Low107 Ų107100.4 Ų100.450%0.548%0.484SS..  trans-23.7107.9-174-70.7-175-2.100113.7F46 D47F46-Q49 VanDerWaalsContact O-CG 3.23Å; F46-Q49 WeakPolarHBondContact O-CG 3.45Å; D47-Q49 PolarHBondContact O-N 3.46Å
50L52.4Low63.2Low158 Ų15899.6 Ų99.683%0.82748%0.482SS*.  trans-45.8146.2138-64.6168.8000106.4Q48 Y52Q48-L50 PolarHBondContact O-N 3.45Å; Q48-L50 VanDerWaalsContact O-N 3.1Å; L50-Y52 CarbonylContact O-C 3.51Å; L50-Y52 PolarHBondContact O-N 3.08Å
51M50.3Low61.4Low171 Ų171101.8 Ų101.884%0.84249%0.492SS*.SBendtrans-43.2-4.3-166.1-69.4174.557.600119.5
52Y46.6Very low59.8Low186 Ų186105.9 Ų105.973%0.72950%0.503SS*.SBendtrans-123.4134.4174.1-56.8-78.1000111.9L50 E54L50-Y52 CarbonylContact O-C 3.51Å; L50-Y52 PolarHBondContact O-N 3.08Å; Y52-E54 PolarHBondContact O-N 3.16Å
53P48.4Very low58.1Low55 Ų55109.8 Ų109.836%0.35752%0.519SS..  trans-57.4131.8172.8-21.330.4000112.6Y55P53-Y55 HydrophobicContact CB-CE1 4.48Å; P53-Y55 HydrophobicContact CB-CE2 3.9Å
54E49.2Very low56.6Low91 Ų91108.6 Ų108.643%0.42551%0.509SS..  trans-95.2102176.6-139.8-169.1-161.800110.9Y52 R56 W57Y52-E54 PolarHBondContact O-N 3.16Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 2.98Å; E54-R56 IonicContact OE1-CZ 2.7Å; E54-R56 IonicContact OE1-NH1 3.56Å; E54-R56 PolarHBondContact OE1-NH1 2.85Å; E54-R56 IonicContact OE1-NH2 3Å; E54-R56 PolarHBondContact OE1-NH2 3.24Å; E54-R56 IonicContact OE2-NH1 3.89Å; E54-W57 PolarHBondContact OE2-NE1 2.95Å
55Y50Low55.4Low185 Ų185111.7 Ų111.773%0.72552%0.523SS*.G310 helixtrans-82.212.1-177.1-61.7-80.6000115P53 W57P53-Y55 HydrophobicContact CB-CE1 4.48Å; P53-Y55 HydrophobicContact CB-CE2 3.9Å; Y55-W57 PolarHBondContact O-N 3.37Å
56R55.5Low54.3Low161 Ų161112.8 Ų112.861%0.60853%0.529SS*.G310 helixtrans-69.8-19.9-172-171.7-175.8-58.6118.610.1113E54E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 2.98Å; E54-R56 IonicContact OE1-CZ 2.7Å; E54-R56 IonicContact OE1-NH1 3.56Å; E54-R56 PolarHBondContact OE1-NH1 2.85Å; E54-R56 IonicContact OE1-NH2 3Å; E54-R56 PolarHBondContact OE1-NH2 3.24Å; E54-R56 IonicContact OE2-NH1 3.89Å
57W49.8Very low54Low58 Ų58112.4 Ų112.422%0.2253%0.529CS..G310 helixtrans-123.45.5-162.9-48.5100000114.8F46 E54 Y55 D59 H60 D243F46-W57 HydrophobicContact CD1-CB 4.16Å; F46-W57 AromaticContact CD1-CD1 3.2Å; F46-W57 AromaticContact CD1-CG 3.82Å; F46-W57 HydrophobicContact CD1-CG 3.82Å; F46-W57 AromaticContact CD1-NE1 3.77Å; F46-W57 HydrophobicContact CD2-CB 4.34Å; F46-W57 HydrophobicContact CE1-CB 3.67Å; F46-W57 AromaticContact CE1-CD1 2.86Å; F46-W57 AromaticContact CE1-CD2 3.77Å; F46-W57 HydrophobicContact CE1-CD2 3.77Å; F46-W57 AromaticContact CE1-CE2 3.8Å; F46-W57 AromaticContact CE1-CG 3.15Å; F46-W57 HydrophobicContact CE1-CG 3.15Å; F46-W57 AromaticContact CE1-NE1 3.23Å; F46-W57 HydrophobicContact CE2-CB 3.8Å; F46-W57 HydrophobicContact CE2-CG 4.19Å; F46-W57 HydrophobicContact CG-CB 4.47Å; F46-W57 HydrophobicContact CZ-CB 3.39Å; F46-W57 AromaticContact CZ-CD1 3.57Å; F46-W57 AromaticContact CZ-CD2 3.88Å; F46-W57 HydrophobicContact CZ-CD2 3.88Å; F46-W57 AromaticContact CZ-CG 3.3Å; F46-W57 HydrophobicContact CZ-CG 3.3Å; E54-W57 PolarHBondContact OE2-NE1 2.95Å; Y55-W57 PolarHBondContact O-N 3.37Å; W57-D59 PolarHBondContact O-N 3.47Å; W57-H60 PolarHBondContact O-N 3.18Å; W57-D243 WeakPolarHBondContact CH2-O 3.37Å
58S52.3Low54Low66 Ų66114 Ų11446%0.46253%0.526SS..G310 helixtrans-60.5-17-176.8-53.90000114.1H60 V61S58-H60 VanDerWaalsContact C-N 3.28Å; S58-H60 PolarHBondContact O-N 3.16Å; S58-V61 WeakPolarHBondContact O-CG2 3.3Å
59D54Low54.2Low157 Ų157112.6 Ų112.684%0.8452%0.523SS*.G310 helixtrans-73-17.1-178.5-66.9-23.9000113.6W57W57-D59 PolarHBondContact O-N 3.47Å
60H52.1Low54.7Low81 Ų81116 Ų11638%0.37553%0.531SS..G310 helixtrans-97.40.3-177.9-65.8-68.2000114.2W57 S58 R62 E63 Y64W57-H60 PolarHBondContact O-N 3.18Å; S58-H60 VanDerWaalsContact C-N 3.28Å; S58-H60 PolarHBondContact O-N 3.16Å; H60-R62 PolarHBondContact O-N 3.22Å; H60-E63 PolarHBondContact O-N 3.28Å; H60-Y64 HydrophobicContact CB-CD2 3.7Å; H60-Y64 HydrophobicContact CB-CE2 3.39Å; H60-Y64 WeakPolarHBondContact O-CD2 3.35Å; H60-Y64 PolarHBondContact O-N 3.1Å; H60-Y64 VanDerWaalsContact O-N 3.17Å
61V54.1Low55Low72 Ų72109.1 Ų109.144%0.43650%0.495SS..Hα-helixtrans-53.3-35.6-171.7172.90000112.9S58 Y64 E65S58-V61 WeakPolarHBondContact O-CG2 3.3Å; V61-Y64 CarbonylContact O-C 3.54Å; V61-Y64 WeakPolarHBondContact O-CB 3.25Å; V61-Y64 PolarHBondContact O-N 2.84Å; V61-E65 HydrophobicContact CG1-CG 4.27Å; V61-E65 WeakPolarHBondContact O-CG 3.34Å; V61-E65 PolarHBondContact O-N 2.81Å
62R55.6Low55.4Low194 Ų194105.2 Ų105.273%0.73248%0.477SS*.Hα-helixtrans-67.6-41.5178.9-87.7-174.362.6-174.8-2.7114.1H60 Y64 E65 D66H60-R62 PolarHBondContact O-N 3.22Å; R62-Y64 PolarHBondContact O-N 3.37Å; R62-E65 PolarHBondContact O-N 3.16Å; R62-D66 PolarHBondContact O-N 3.18Å; R62-D66 VanDerWaalsContact O-N 3.08Å
63E58.7Low56Low108 Ų108101.3 Ų101.351%0.50547%0.473SS..Hα-helixtrans-65.7-34.6174.3-70.6-174.1169.700110.2H60 V67H60-E63 PolarHBondContact O-N 3.28Å; E63-V67 WeakPolarHBondContact O-CB 3.46Å; E63-V67 WeakPolarHBondContact O-CG2 3.49Å; E63-V67 PolarHBondContact O-N 3.32Å
64Y57.7Low56.5Low30 Ų30104.1 Ų104.112%0.11848%0.484CS..Hα-helixtrans-64.6-46.2173.7-72.4-66.6000113.1H60 V61 R62 V67 R68 Y102 M246H60-Y64 HydrophobicContact CB-CD2 3.7Å; H60-Y64 HydrophobicContact CB-CE2 3.39Å; H60-Y64 WeakPolarHBondContact O-CD2 3.35Å; H60-Y64 PolarHBondContact O-N 3.1Å; H60-Y64 VanDerWaalsContact O-N 3.17Å; V61-Y64 CarbonylContact O-C 3.54Å; V61-Y64 WeakPolarHBondContact O-CB 3.25Å; V61-Y64 PolarHBondContact O-N 2.84Å; R62-Y64 PolarHBondContact O-N 3.37Å; Y64-V67 PolarHBondContact O-N 3.09Å; Y64-R68 VanDerWaalsContact O-CB 3.29Å; Y64-R68 WeakPolarHBondContact O-CB 3.27Å; Y64-R68 PolarHBondContact O-N 3.13Å; Y64-Y102 AromaticContact CD1-CD1 3.76Å; Y64-Y102 HydrophobicContact CD1-CD1 3.76Å; Y64-Y102 AromaticContact CD1-CE1 3.15Å; Y64-Y102 HydrophobicContact CD1-CE1 3.15Å; Y64-Y102 HydrophobicContact CD1-CE2 4.37Å; Y64-Y102 AromaticContact CD1-CZ 3.5Å; Y64-Y102 AromaticContact CE1-CD1 3.63Å; Y64-Y102 HydrophobicContact CE1-CD1 3.63Å; Y64-Y102 AromaticContact CE1-CE1 3.54Å; Y64-Y102 HydrophobicContact CE1-CE1 3.54Å; Y64-Y102 HydrophobicContact CE1-CE2 4.49Å; Y64-Y102 HydrophobicContact CE1-CG 4.17Å; Y64-Y102 AromaticContact CE1-CZ 3.98Å; Y64-Y102 HydrophobicContact CG-CE1 4.16Å; Y64-Y102 PolarHBondContact O-OH 3.27Å; Y64-M246 HydrophobicContact CD1-CG 4.13Å; Y64-M246 HydrophobicContact CD1-SD 3.8Å; Y64-M246 HydrophobicContact CE1-CG 3.36Å; Y64-M246 HydrophobicContact CE1-SD 3.58Å; Y64-M246 VanDerWaalsContact CE1-SD 3.58Å
65E59.4Low56.9Low116 Ų116100.9 Ų100.954%0.54247%0.472SS..Hα-helixtrans-64.5-45.7178.4-76.8-167.3154.100112.6V61 R62 V67 R68 L69V61-E65 HydrophobicContact CG1-CG 4.27Å; V61-E65 WeakPolarHBondContact O-CG 3.34Å; V61-E65 PolarHBondContact O-N 2.81Å; R62-E65 PolarHBondContact O-N 3.16Å; E65-V67 VanDerWaalsContact C-N 3.27Å; E65-V67 PolarHBondContact O-N 2.93Å; E65-R68 PolarHBondContact O-N 2.95Å; E65-L69 WeakPolarHBondContact O-CB 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 3.21Å
66D61.1Low57.2Low90 Ų90101.7 Ų101.748%0.48147%0.473SS..Hα-helixtrans-60.7-39.7178.6-82.2-21.3000111.4R62 R70R62-D66 PolarHBondContact O-N 3.18Å; R62-D66 VanDerWaalsContact O-N 3.08Å; D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.45Å; D66-R70 VanDerWaalsContact O-N 3.13Å
67V59.8Low57.3Low21 Ų2196.6 Ų96.613%0.12747%0.465CS..Hα-helixtrans-69.7-43.7175.4165.90000111.9E63 Y64 E65 L69 R70 N71 P101 Y102E63-V67 WeakPolarHBondContact O-CB 3.46Å; E63-V67 WeakPolarHBondContact O-CG2 3.49Å; E63-V67 PolarHBondContact O-N 3.32Å; Y64-V67 PolarHBondContact O-N 3.09Å; E65-V67 VanDerWaalsContact C-N 3.27Å; E65-V67 PolarHBondContact O-N 2.93Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.32Å; V67-R70 PolarHBondContact O-N 2.9Å; V67-N71 PolarHBondContact O-N 3.27Å; V67-P101 HydrophobicContact CB-CB 4.42Å; V67-P101 HydrophobicContact CG1-CB 3.33Å; V67-P101 HydrophobicContact CG1-CG 3.22Å; V67-P101 HydrophobicContact CG2-CB 4.31Å; V67-Y102 HydrophobicContact CB-CD1 4.18Å; V67-Y102 HydrophobicContact CB-CE1 3.43Å; V67-Y102 VanDerWaalsContact CB-CE1 3.43Å; V67-Y102 HydrophobicContact CG1-CD1 3.88Å; V67-Y102 HydrophobicContact CG1-CD2 4.46Å; V67-Y102 HydrophobicContact CG1-CE1 3.23Å; V67-Y102 HydrophobicContact CG1-CE2 3.92Å; V67-Y102 HydrophobicContact CG1-CG 4.44Å; V67-Y102 HydrophobicContact CG2-CD1 4.12Å; V67-Y102 HydrophobicContact CG2-CE1 3.83Å
68R60.6Low57.5Low152 Ų15295.9 Ų95.957%0.57447%0.472SS*.Hα-helixtrans-58.7-43177.6-172.1-178.7-174.6-107.12.2111Y64 E65 N71 L72Y64-R68 VanDerWaalsContact O-CB 3.29Å; Y64-R68 WeakPolarHBondContact O-CB 3.27Å; Y64-R68 PolarHBondContact O-N 3.13Å; E65-R68 PolarHBondContact O-N 2.95Å; R68-N71 PolarHBondContact O-N 3.25Å; R68-L72 HydrophobicContact CG-CD1 4.48Å; R68-L72 WeakPolarHBondContact O-CG 3.06Å; R68-L72 PolarHBondContact O-N 3.41Å
69L60Low57.8Low106 Ų10697.9 Ų97.956%0.55547%0.474SS*.Hα-helixtrans-62.7-44.2175.3-73.1173.6000111.9E65 V67 N71 L72 V73E65-L69 WeakPolarHBondContact O-CB 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 3.21Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.32Å; L69-N71 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 3.17Å; L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 2.88Å
70R60.3Low57.8Low177 Ų17794 Ų9467%0.66846%0.459SS*.Hα-helixtrans-63.4-40.3175.3-73176.6-176-169.73.2112.5D66 V67 V73 L74D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.45Å; D66-R70 VanDerWaalsContact O-N 3.13Å; V67-R70 PolarHBondContact O-N 2.9Å; R70-V73 PolarHBondContact O-N 3.21Å; R70-L74 WeakPolarHBondContact O-CG 3.33Å; R70-L74 PolarHBondContact O-N 3.4Å
71N59.4Low57.9Low14 Ų1493.2 Ų93.28%0.07547%0.466CS..Hα-helixtrans-65.7-38.5176.9-83.1-23.9000113.1V67 R68 L69 V73 L74 S75 P101V67-N71 PolarHBondContact O-N 3.27Å; R68-N71 PolarHBondContact O-N 3.25Å; L69-N71 PolarHBondContact O-N 3.32Å; N71-V73 PolarHBondContact O-N 3.42Å; N71-L74 PolarHBondContact O-N 2.89Å; N71-S75 VanDerWaalsContact O-CB 3.27Å; N71-S75 WeakPolarHBondContact O-CB 3.44Å; N71-S75 PolarHBondContact O-N 3.45Å; N71-S75 PolarHBondContact O-OG 2.94Å; N71-P101 WeakPolarHBondContact ND2-CG 3.16Å
72L58.8Low57.8Low90 Ų9093.1 Ų93.147%0.47147%0.473SS..Hα-helixtrans-61.3-33.7175.4-79163.6000111.6R68 L69 S75 R76R68-L72 HydrophobicContact CG-CD1 4.48Å; R68-L72 WeakPolarHBondContact O-CG 3.06Å; R68-L72 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 3.17Å; L72-S75 PolarHBondContact O-OG 3.34Å; L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 PolarHBondContact O-N 3.36Å
73V60.2Low57.5Low104 Ų10493.6 Ų93.663%0.6348%0.475SS*.Hα-helixtrans-73-46.3174.4179.70000111.2L69 R70 N71 R76 A77L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 2.88Å; R70-V73 PolarHBondContact O-N 3.21Å; N71-V73 PolarHBondContact O-N 3.42Å; V73-R76 PolarHBondContact O-N 3.22Å; V73-A77 PolarHBondContact O-N 3.25Å; V73-A77 VanDerWaalsContact O-N 3.07Å
74L57.3Low57.3Low113 Ų11393.4 Ų93.459%0.59249%0.486SS*.Hα-helixtrans-68.4-39.9-179.6-71.5170.8000113.2R70 N71 A77 A78R70-L74 WeakPolarHBondContact O-CG 3.33Å; R70-L74 PolarHBondContact O-N 3.4Å; N71-L74 PolarHBondContact O-N 2.89Å; L74-A77 WeakPolarHBondContact O-CB 3.23Å; L74-A77 PolarHBondContact O-N 3.34Å; L74-A78 WeakPolarHBondContact O-CB 3.47Å; L74-A78 PolarHBondContact O-N 3.37Å
75S57.9Low56.7Low24 Ų2496.4 Ų96.417%0.16851%0.511CS..Hα-helixtrans-66.9-38.217764.90000111.4N71 L72 A77 A78 Q79N71-S75 VanDerWaalsContact O-CB 3.27Å; N71-S75 WeakPolarHBondContact O-CB 3.44Å; N71-S75 PolarHBondContact O-N 3.45Å; N71-S75 PolarHBondContact O-OG 2.94Å; L72-S75 PolarHBondContact O-OG 3.34Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 3.1Å; S75-A78 PolarHBondContact O-N 2.87Å; S75-Q79 WeakPolarHBondContact O-CB 3.39Å; S75-Q79 VanDerWaalsContact O-CG 3.27Å; S75-Q79 WeakPolarHBondContact O-CG 3.33Å; S75-Q79 PolarHBondContact O-N 2.84Å
76R56.7Low55.9Low202 Ų20296.8 Ų96.876%0.76253%0.525SS*.Hα-helixtrans-60.7-42.4170.3-92.8-177.9163.5175.8-3.4111.7L72 V73 S80L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 PolarHBondContact O-N 3.36Å; V73-R76 PolarHBondContact O-N 3.22Å; R76-S80 WeakPolarHBondContact O-CB 3.49Å; R76-S80 PolarHBondContact O-N 2.95Å; R76-S80 PolarHBondContact O-OG 3.42Å
77A56.7Low55Low53 Ų5395.7 Ų95.744%0.43854%0.535SS..Hα-helixtrans-63.6-46.7175.400000111.7V73 L74 S75 S80 A81V73-A77 PolarHBondContact O-N 3.25Å; V73-A77 VanDerWaalsContact O-N 3.07Å; L74-A77 WeakPolarHBondContact O-CB 3.23Å; L74-A77 PolarHBondContact O-N 3.34Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 3.1Å; A77-S80 PolarHBondContact O-N 3.1Å; A77-S80 PolarHBondContact O-OG 2.84Å; A77-A81 PolarHBondContact O-N 2.89Å
78A55.7Low54.1Low43 Ų43100.1 Ų100.136%0.35557%0.567SS.*Hα-helixtrans-65.7-41.4179.100000112.9L74 S75 S80 A81 A82L74-A78 WeakPolarHBondContact O-CB 3.47Å; L74-A78 PolarHBondContact O-N 3.37Å; S75-A78 PolarHBondContact O-N 2.87Å; A78-S80 VanDerWaalsContact C-N 3.32Å; A78-S80 PolarHBondContact O-N 3.18Å; A78-A81 PolarHBondContact O-N 3.45Å; A78-A82 PolarHBondContact O-N 2.83Å
79Q56.8Low53.2Low109 Ų10998.7 Ų98.751%0.50958%0.58SS.*Hα-helixtrans-64.8-35.7174.5-73.5179.433.500111.9S75 A82 R83S75-Q79 WeakPolarHBondContact O-CB 3.39Å; S75-Q79 VanDerWaalsContact O-CG 3.27Å; S75-Q79 WeakPolarHBondContact O-CG 3.33Å; S75-Q79 PolarHBondContact O-N 2.84Å; Q79-A82 PolarHBondContact O-N 3.01Å; Q79-R83 WeakPolarHBondContact O-CG 3.3Å; Q79-R83 PolarHBondContact O-N 2.81Å; Q79-R83 VanDerWaalsContact O-N 3.15Å
80S54.6Low52.2Low75 Ų7596.9 Ų96.952%0.52459%0.587SS.*Hα-helixtrans-67.4-35.6174.976.80000112.5R76 A77 A78 S84R76-S80 WeakPolarHBondContact O-CB 3.49Å; R76-S80 PolarHBondContact O-N 2.95Å; R76-S80 PolarHBondContact O-OG 3.42Å; A77-S80 PolarHBondContact O-N 3.1Å; A77-S80 PolarHBondContact O-OG 2.84Å; A78-S80 VanDerWaalsContact C-N 3.32Å; A78-S80 PolarHBondContact O-N 3.18Å; S80-S84 PolarHBondContact O-OG 3.45Å
81A54.9Low51.3Low64 Ų6496.7 Ų96.753%0.52960%0.599SS.*Hα-helixtrans-69.3-43175.200000111.5A77 A78 R83 S84A77-A81 PolarHBondContact O-N 2.89Å; A78-A81 PolarHBondContact O-N 3.45Å; A81-R83 VanDerWaalsContact C-N 3.34Å; A81-R83 PolarHBondContact O-N 3.03Å; A81-S84 PolarHBondContact O-N 2.87Å
82A51Low50.4Low71 Ų71105.1 Ų105.159%0.58764%0.636SS**Hα-helixtrans-67.2-30.6-179.800000113.7A78 Q79 S84 S85A78-A82 PolarHBondContact O-N 2.83Å; Q79-A82 PolarHBondContact O-N 3.01Å; A82-S84 VanDerWaalsContact C-N 3.33Å; A82-S85 PolarHBondContact O-OG 2.93Å
83R50.6Low49.7Very low204 Ų204106.8 Ų106.877%0.7765%0.649SS**Hα-helixtrans-74.6-21.6175.5-74.2-177.9-177.7-176.91.7113.6Q79 A81 S85Q79-R83 WeakPolarHBondContact O-CG 3.3Å; Q79-R83 PolarHBondContact O-N 2.81Å; Q79-R83 VanDerWaalsContact O-N 3.15Å; A81-R83 VanDerWaalsContact C-N 3.34Å; A81-R83 PolarHBondContact O-N 3.03Å; R83-S85 VanDerWaalsContact C-N 3.34Å
84S53.6Low49.1Very low104 Ų104104.8 Ų104.873%0.72764%0.638SS**THydrogen-bonded Turntrans-82.4-11.2-178-57.40000113.3S80 A81 A82S80-S84 PolarHBondContact O-OG 3.45Å; A81-S84 PolarHBondContact O-N 2.87Å; A82-S84 VanDerWaalsContact C-N 3.33Å
85S46.4Very low49.3Very low92 Ų92104 Ų10464%0.64364%0.642SS**  trans-10758.3-17964.90000112.4A82 R83 G87A82-S85 PolarHBondContact O-OG 2.93Å; R83-S85 VanDerWaalsContact C-N 3.34Å; S85-G87 PolarHBondContact O-N 2.78Å
86C40.8Very low50.3Low125 Ų125109 Ų10985%0.84566%0.661SS**  trans-89.662.9163.859.90000109.9
87G42.2Very low52Low66 Ų66106 Ų10668%0.6866%0.656SS**  trans-105.8113.3171.700000109.3S85S85-G87 PolarHBondContact O-N 2.78Å
88S41.7Very low53.8Low114 Ų114104.6 Ų104.680%0.79764%0.639SS**  trans-53.2136.5169.4430000111.7
89S41.4Very low55.8Low123 Ų123107 Ų10786%0.8665%0.646SS**SBendtrans112.4109.9164.9-45.80000114.6
90G39.6Very low57.7Low67 Ų67102 Ų10269%0.69162%0.622SS**  trans102.2116.416800000113.2F92G90-F92 PolarHBondContact O-N 2.95Å
91N40.1Very low59.6Low173 Ų173100.3 Ų100.393%0.92561%0.609SS**  trans-6748.3169.2-76.3-21.2000111.8V93N91-V93 VanDerWaalsContact C-N 3.28Å; N91-V93 PolarHBondContact O-N 3.4Å; N91-V93 VanDerWaalsContact O-N 3.07Å
92F40.8Very low61.4Low192 Ų19298 Ų9884%0.84259%0.587SS**  trans-77.688166.1-119.8-94.3000105.9G90 P94G90-F92 PolarHBondContact O-N 2.95Å; F92-P94 WeakPolarHBondContact O-CD 3.48Å
93V43.7Very low63.6Low124 Ų12496.5 Ų96.575%0.75257%0.569SS**  trans-72.8104.9158.7-176.80000103.8N91 S95N91-V93 VanDerWaalsContact C-N 3.28Å; N91-V93 PolarHBondContact O-N 3.4Å; N91-V93 VanDerWaalsContact O-N 3.07Å; V93-S95 PolarHBondContact O-N 2.88Å; V93-S95 VanDerWaalsContact O-N 3.13Å
94P48.3Very low65.9Low62 Ų6286.8 Ų86.840%0.40353%0.532SS..  trans-59.6127.2174.1-12.430.2000105F92 F96F92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-F96 HydrophobicContact CB-CD1 4.45Å; P94-F96 HydrophobicContact CB-CD2 3.88Å; P94-F96 HydrophobicContact CB-CE1 4.09Å; P94-F96 HydrophobicContact CB-CE2 3.49Å; P94-F96 VanDerWaalsContact CB-CE2 3.49Å; P94-F96 HydrophobicContact CB-CG 4.36Å; P94-F96 HydrophobicContact CB-CZ 3.6Å; P94-F96 HydrophobicContact CG-CD2 4.21Å; P94-F96 HydrophobicContact CG-CE2 3.4Å; P94-F96 HydrophobicContact CG-CZ 3.58Å; P94-F96 WeakPolarHBondContact O-CD2 3.37Å; P94-F96 PolarHBondContact O-N 3.12Å
95S61.1Low68Low96 Ų9683.5 Ų83.567%0.67151%0.506SS*.  trans-67.276.8175.356.30000107.8V93 E97V93-S95 PolarHBondContact O-N 2.88Å; V93-S95 VanDerWaalsContact O-N 3.13Å; S95-E97 PolarHBondContact O-N 3.22Å
96F80Confident70.4Confident131 Ų13181 Ų8158%0.57549%0.486SS*.  trans-68.6124.3178.3-69.2-72.7000107.7F39 P94F39-F96 HydrophobicContact CE2-CB 3.42Å; F39-F96 VanDerWaalsContact CE2-CB 3.42Å; F39-F96 HydrophobicContact CZ-CB 3.76Å; P94-F96 HydrophobicContact CB-CD1 4.45Å; P94-F96 HydrophobicContact CB-CD2 3.88Å; P94-F96 HydrophobicContact CB-CE1 4.09Å; P94-F96 HydrophobicContact CB-CE2 3.49Å; P94-F96 VanDerWaalsContact CB-CE2 3.49Å; P94-F96 HydrophobicContact CB-CG 4.36Å; P94-F96 HydrophobicContact CB-CZ 3.6Å; P94-F96 HydrophobicContact CG-CD2 4.21Å; P94-F96 HydrophobicContact CG-CE2 3.4Å; P94-F96 HydrophobicContact CG-CZ 3.58Å; P94-F96 WeakPolarHBondContact O-CD2 3.37Å; P94-F96 PolarHBondContact O-N 3.12Å
97E92Very high73.2Confident139 Ų13975.7 Ų75.765%0.6545%0.449SS*.EExtended strand (participates in β ladder)trans-92.8138.3171.5-56.5-165.8153.700109T32 L33 S95T32-E97 HydrophobicContact CG2-CB 3.92Å; L33-E97 CarbonylContact O-C 3.53Å; L33-E97 WeakPolarHBondContact O-CA 3.38Å; S95-E97 PolarHBondContact O-N 3.22Å
98R94.8Very high75.8Confident22 Ų2272.5 Ų72.58%0.08342%0.417CS..EExtended strand (participates in β ladder)trans-116.4114.2172.6-176.1-171.1-177.8179.64.8108.5T32 L33 A38 F39 A40 L100T32-R98 CarbonylContact C-O 3.51Å; T32-R98 WeakPolarHBondContact CA-O 3.22Å; L33-R98 PolarHBondContact N-O 3.45Å; L33-R98 PolarHBondContact O-N 3.35Å; A38-R98 HydrophobicContact CB-CB 4.47Å; A38-R98 WeakPolarHBondContact O-CD 3.49Å; A38-R98 PolarHBondContact O-NH1 3.37Å; F39-R98 HydrophobicContact CD1-CB 4.3Å; F39-R98 HydrophobicContact CD1-CG 4.34Å; F39-R98 HydrophobicContact CE1-CB 3.88Å; F39-R98 HydrophobicContact CE1-CG 4.12Å; F39-R98 HydrophobicContact CE2-CB 4.19Å; F39-R98 HydrophobicContact CZ-CB 3.81Å; A40-R98 PolarHBondContact O-NH1 3Å; R98-L100 HydrophobicContact CG-CD2 4.33Å; R98-L100 PolarHBondContact O-N 3.12Å
99L96.6Very high78.5Confident95 Ų9568.5 Ų68.550%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-67.1118.6162.717859.2000108.4R30R30-L99 HydrophobicContact CG-CD1 3.4Å; R30-L99 VanDerWaalsContact CG-CD1 3.4Å
100L96.5Very high81.3Confident2 Ų262.8 Ų62.81%0.0134%0.344CS..  trans-69.4138.1174.7-61.2-167.7000109.2V31 L33 R98 L240 I242 Y248V31-L100 HydrophobicContact CB-CB 4.33Å; V31-L100 HydrophobicContact CB-CD1 3.92Å; V31-L100 HydrophobicContact CB-CG 4.22Å; V31-L100 HydrophobicContact CG1-CD1 3.7Å; V31-L100 HydrophobicContact CG1-CG 4.19Å; V31-L100 WeakPolarHBondContact O-CB 3.3Å; V31-L100 PolarHBondContact O-N 2.85Å; L33-L100 HydrophobicContact CD1-CD1 4.04Å; L33-L100 HydrophobicContact CD1-CD2 3.85Å; L33-L100 HydrophobicContact CD1-CG 4.3Å; L33-L100 HydrophobicContact CG-CD1 4.01Å; L33-L100 HydrophobicContact CG-CD2 3.96Å; L33-L100 HydrophobicContact CG-CG 4.04Å; R98-L100 HydrophobicContact CG-CD2 4.33Å; R98-L100 PolarHBondContact O-N 3.12Å; L100-L240 HydrophobicContact CD1-CD2 4.17Å; L100-I242 HydrophobicContact CD1-CD1 4.06Å; L100-Y248 HydrophobicContact CD1-CD1 4.1Å; L100-Y248 HydrophobicContact CD1-CD2 3.83Å; L100-Y248 HydrophobicContact CD1-CE1 4.04Å; L100-Y248 HydrophobicContact CD1-CE2 3.77Å; L100-Y248 HydrophobicContact CD1-CG 3.99Å; L100-Y248 HydrophobicContact CD2-CD1 3.9Å; L100-Y248 HydrophobicContact CD2-CE1 3.54Å; L100-Y248 HydrophobicContact CG-CE1 4.35Å
101P94.6Very high84Confident40 Ų4059.7 Ų59.726%0.2631%0.313SS..SBendtrans-84.8-12.9-175.135.7-39.7000113.5V67 N71V67-P101 HydrophobicContact CB-CB 4.42Å; V67-P101 HydrophobicContact CG1-CB 3.33Å; V67-P101 HydrophobicContact CG1-CG 3.22Å; V67-P101 HydrophobicContact CG2-CB 4.31Å; N71-P101 WeakPolarHBondContact ND2-CG 3.16Å
102Y93.8Very high86.6Confident17 Ų1752.6 Ų52.67%0.06727%0.274CS..PPolyproline II helixtrans-92.3128.2171.9-56.3-62.2000109.6Y64 V67 I242 M246 Y248Y64-Y102 AromaticContact CD1-CD1 3.76Å; Y64-Y102 HydrophobicContact CD1-CD1 3.76Å; Y64-Y102 AromaticContact CD1-CE1 3.15Å; Y64-Y102 HydrophobicContact CD1-CE1 3.15Å; Y64-Y102 HydrophobicContact CD1-CE2 4.37Å; Y64-Y102 AromaticContact CD1-CZ 3.5Å; Y64-Y102 AromaticContact CE1-CD1 3.63Å; Y64-Y102 HydrophobicContact CE1-CD1 3.63Å; Y64-Y102 AromaticContact CE1-CE1 3.54Å; Y64-Y102 HydrophobicContact CE1-CE1 3.54Å; Y64-Y102 HydrophobicContact CE1-CE2 4.49Å; Y64-Y102 HydrophobicContact CE1-CG 4.17Å; Y64-Y102 AromaticContact CE1-CZ 3.98Å; Y64-Y102 HydrophobicContact CG-CE1 4.16Å; Y64-Y102 PolarHBondContact O-OH 3.27Å; V67-Y102 HydrophobicContact CB-CD1 4.18Å; V67-Y102 HydrophobicContact CB-CE1 3.43Å; V67-Y102 VanDerWaalsContact CB-CE1 3.43Å; V67-Y102 HydrophobicContact CG1-CD1 3.88Å; V67-Y102 HydrophobicContact CG1-CD2 4.46Å; V67-Y102 HydrophobicContact CG1-CE1 3.23Å; V67-Y102 HydrophobicContact CG1-CE2 3.92Å; V67-Y102 HydrophobicContact CG1-CG 4.44Å; V67-Y102 HydrophobicContact CG2-CD1 4.12Å; V67-Y102 HydrophobicContact CG2-CE1 3.83Å; Y102-I242 WeakPolarHBondContact O-CD1 3.44Å; Y102-M246 HydrophobicContact CD2-CB 4.09Å; Y102-M246 HydrophobicContact CD2-CE 4.37Å; Y102-M246 HydrophobicContact CD2-CG 3.58Å; Y102-M246 HydrophobicContact CD2-SD 4.4Å; Y102-M246 HydrophobicContact CE2-CB 4.47Å; Y102-M246 HydrophobicContact CE2-CE 3.69Å; Y102-M246 HydrophobicContact CE2-CG 3.73Å; Y102-M246 HydrophobicContact CE2-SD 3.93Å; Y102-M246 HydrophobicContact CG-CG 4.07Å; Y102-Y248 HydrophobicContact CD2-CE2 4.36Å; Y102-Y248 WeakPolarHBondContact CD2-OH 3.47Å; Y102-Y248 WeakPolarHBondContact CE2-OH 3.31Å
103L97.5Very high89Confident38 Ų3846.2 Ų46.220%0.19925%0.253CS..PPolyproline II helixtrans-102.2126.9176.1-60.8170.7000108.3R28 I29 R30 L105 D264R28-L103 HydrophobicContact CB-CB 3.82Å; I29-L103 CarbonylContact O-C 3.51Å; I29-L103 WeakPolarHBondContact O-CA 3.37Å; R30-L103 HydrophobicContact CB-CD2 3.92Å; R30-L103 HydrophobicContact CG-CD2 4.18Å; L103-L105 PolarHBondContact O-N 3.28Å; L103-D264 HydrophobicContact CD1-CB 3.86Å
104A98.1Very high91Very high0 Ų044.9 Ų44.90%024%0.241CC..BIsolated β-bridgetrans-75120.1-177.100000110.8R28 I29 V108 I242 D243R28-A104 CarbonylContact C-O 3.51Å; R28-A104 WeakPolarHBondContact CA-O 3.43Å; R28-A104 WeakPolarHBondContact CB-O 3.31Å; I29-A104 HydrophobicContact CB-CB 3.97Å; I29-A104 HydrophobicContact CD1-CB 4.43Å; I29-A104 HydrophobicContact CG1-CB 4.34Å; I29-A104 PolarHBondContact N-O 2.99Å; I29-A104 PolarHBondContact O-N 2.86Å; A104-V108 HydrophobicContact CB-CG2 3.61Å; A104-I242 HydrophobicContact CB-CG2 3.79Å; A104-D243 WeakPolarHBondContact CA-OD2 3.29Å
105L97.9Very high92.8Very high35 Ų3547.1 Ų47.118%0.18326%0.259CS..SBendtrans-78.5-40.3175.3178.762000111.5R26 R28 L103 T142 T144 D243 L266R26-L105 HydrophobicContact CB-CD1 3.88Å; R28-L105 HydrophobicContact CG-CD1 4.03Å; L103-L105 PolarHBondContact O-N 3.28Å; L105-T142 PolarHBondContact O-OG1 3.28Å; L105-T144 HydrophobicContact CD1-CG2 4.5Å; L105-T144 HydrophobicContact CG-CG2 4.25Å; L105-D243 PolarHBondContact N-OD1 2.81Å; L105-D243 PolarHBondContact N-OD2 3.32Å; L105-L266 HydrophobicContact CD1-CD2 4.35Å; L105-L266 HydrophobicContact CD2-CD2 4.44Å
106N97.8Very high94.1Very high39 Ų3947.4 Ų47.421%0.20926%0.261CS..SBendtrans-99.7-66.5-178.7-64.1-48.2000110.2C141 T142 T144 D243N106-C141 CarbonylContact O-C 3.44Å; N106-C141 WeakPolarHBondContact O-CA 3.3Å; N106-C141 WeakPolarHBondContact O-CB 3.39Å; N106-T142 PolarHBondContact O-N 2.98Å; N106-T144 WeakPolarHBondContact OD1-CG2 3.27Å; N106-D243 WeakPolarHBondContact CA-OD1 3.39Å; N106-D243 WeakPolarHBondContact CB-OD1 3.36Å; N106-D243 PolarHBondContact N-OD1 3.4Å
107D97.9Very high94.6Very high14 Ų1448.9 Ų48.98%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-158157.3-168.851.3-100.7000114.6T139 V140 C141 D243D107-T139 HydrophobicContact CB-CG2 4.17Å; D107-V140 CarbonylContact C-O 3.19Å; D107-V140 WeakPolarHBondContact CA-O 3.36Å; D107-V140 WeakPolarHBondContact CB-O 3.31Å; D107-C141 HydrophobicContact CB-CB 3.76Å; D107-D243 PolarHBondContact N-OD1 3.07Å; D107-D243 PolarHBondContact O-N 2.82Å
108V98.7Very high94.7Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-113.4126.5167.4-179.50000107.5I29 V31 A104 I110 V140 L240 V241 I242 L258I29-V108 HydrophobicContact CB-CG2 4.31Å; I29-V108 HydrophobicContact CD1-CG2 4.16Å; I29-V108 HydrophobicContact CG2-CG2 4.17Å; V31-V108 HydrophobicContact CG2-CG2 3.93Å; A104-V108 HydrophobicContact CB-CG2 3.61Å; V108-I110 HydrophobicContact CG1-CD1 4.44Å; V108-I110 HydrophobicContact CG1-CG1 4.14Å; V108-V140 PolarHBondContact N-O 3.25Å; V108-V140 PolarHBondContact O-N 2.71Å; V108-L240 HydrophobicContact CG1-CD1 3.94Å; V108-L240 HydrophobicContact CG1-CD2 3.76Å; V108-L240 HydrophobicContact CG1-CG 3.59Å; V108-V241 CarbonylContact C-O 3.53Å; V108-V241 VanDerWaalsContact CA-O 3.3Å; V108-V241 WeakPolarHBondContact CA-O 3.5Å; V108-I242 HydrophobicContact CG2-CG1 4.47Å; V108-L258 HydrophobicContact CB-CD2 3.95Å; V108-L258 HydrophobicContact CG1-CD2 4.05Å; V108-L258 HydrophobicContact CG2-CD2 4.22Å
109F98.3Very high94.8Very high29 Ų2944 Ų4413%0.12725%0.245CC..EExtended strand (participates in β ladder)trans-102.6138.6168.7174.1-101.5000110.6L138 W149 L240 V241F109-L138 CarbonylContact C-O 3.56Å; F109-L138 WeakPolarHBondContact CA-O 3.49Å; F109-L138 WeakPolarHBondContact CD2-O 3.35Å; F109-W149 HydrophobicContact CB-CH2 4.12Å; F109-W149 HydrophobicContact CB-CZ3 3.61Å; F109-W149 HydrophobicContact CD1-CH2 4.37Å; F109-W149 AromaticContact CD2-CH2 3.43Å; F109-W149 HydrophobicContact CD2-CH2 3.43Å; F109-W149 VanDerWaalsContact CD2-CH2 3.43Å; F109-W149 HydrophobicContact CD2-CZ2 4.27Å; F109-W149 AromaticContact CD2-CZ3 3.72Å; F109-W149 HydrophobicContact CD2-CZ3 3.72Å; F109-W149 AromaticContact CE2-CH2 3.9Å; F109-W149 HydrophobicContact CE2-CH2 3.9Å; F109-W149 HydrophobicContact CE2-CZ2 4.46Å; F109-W149 AromaticContact CG-CH2 3.7Å; F109-W149 HydrophobicContact CG-CH2 3.7Å; F109-W149 AromaticContact CG-CZ3 3.73Å; F109-W149 HydrophobicContact CG-CZ3 3.73Å; F109-L240 CarbonylContact O-C 3.59Å; F109-L240 WeakPolarHBondContact O-CA 3.18Å; F109-V241 HydrophobicContact CB-CB 4.39Å; F109-V241 HydrophobicContact CD1-CG2 4.38Å; F109-V241 PolarHBondContact N-O 3.32Å; F109-V241 PolarHBondContact O-N 3.27Å
110I98.6Very high94.7Very high3 Ų343.6 Ų43.62%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-130.4123.4175.1-62.3172000108.9V108 G137 L138 V231 H239 L240 F250 A256 L258V108-I110 HydrophobicContact CG1-CD1 4.44Å; V108-I110 HydrophobicContact CG1-CG1 4.14Å; I110-G137 CarbonylContact O-C 3.59Å; I110-G137 VanDerWaalsContact O-CA 3.29Å; I110-G137 WeakPolarHBondContact O-CA 3.47Å; I110-L138 HydrophobicContact CB-CB 4.42Å; I110-L138 PolarHBondContact N-O 2.92Å; I110-L138 PolarHBondContact O-N 3.07Å; I110-V231 HydrophobicContact CD1-CB 4.18Å; I110-V231 HydrophobicContact CD1-CG1 4.36Å; I110-V231 HydrophobicContact CD1-CG2 3.97Å; I110-V231 HydrophobicContact CG2-CG1 4.3Å; I110-H239 WeakPolarHBondContact CA-O 3.42Å; I110-L240 HydrophobicContact CD1-CD1 3.78Å; I110-L240 HydrophobicContact CD1-CG 4.34Å; I110-L240 HydrophobicContact CG1-CB 4.17Å; I110-L240 HydrophobicContact CG1-CD1 3.89Å; I110-L240 HydrophobicContact CG1-CG 3.89Å; I110-F250 HydrophobicContact CG2-CD1 3.46Å; I110-F250 VanDerWaalsContact CG2-CD1 3.46Å; I110-F250 HydrophobicContact CG2-CE1 3.46Å; I110-F250 VanDerWaalsContact CG2-CE1 3.46Å; I110-F250 HydrophobicContact CG2-CG 4.5Å; I110-A256 HydrophobicContact CD1-CB 4.41Å; I110-L258 HydrophobicContact CD1-CD1 4.23Å
111G97.6Very high94.8Very high2 Ų243.7 Ų43.72%0.02124%0.237CC..EExtended strand (participates in β ladder)trans176.4178.617700000113S119 A238 H239G111-S119 WeakPolarHBondContact CA-OG 3.37Å; G111-A238 CarbonylContact O-C 3.48Å; G111-A238 VanDerWaalsContact O-CA 3.27Å; G111-A238 WeakPolarHBondContact O-CA 3.22Å; G111-H239 PolarHBondContact N-O 2.66Å; G111-H239 VanDerWaalsContact N-O 3.1Å; G111-H239 PolarHBondContact O-N 3.49Å
112E94.4Very high94.9Very high24 Ų2442.5 Ų42.511%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-59.6146.5170.8-60.7-68.9151.400111L114 R117 V118 S119 G235 Y236 D237E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.08Å; E112-R117 HydrophobicContact CB-CB 3.83Å; E112-R117 HydrophobicContact CG-CB 4.01Å; E112-V118 WeakPolarHBondContact CG-O 3.2Å; E112-S119 PolarHBondContact N-OG 3.18Å; E112-G235 WeakPolarHBondContact OE1-CA 3.33Å; E112-Y236 PolarHBondContact OE1-N 3.39Å; E112-D237 CarbonylContact C-O 3.59Å; E112-D237 WeakPolarHBondContact CA-O 3.42Å; E112-D237 PolarHBondContact OE2-N 2.98Å; E112-D237 VanDerWaalsContact OE2-N 3.15Å
113S90.1Very high95.1Very high58 Ų5841.7 Ų41.741%0.40623%0.225SC..SBendtrans-57-42179.2-64.10000112.4D237 H239S113-D237 WeakPolarHBondContact CB-O 3.19Å; S113-D237 WeakPolarHBondContact CB-OD2 3.49Å; S113-D237 PolarHBondContact N-O 2.98Å; S113-D237 PolarHBondContact OG-O 3Å; S113-D237 PolarHBondContact OG-OD1 3.03Å; S113-H239 PolarHBondContact OG-CD2 3.09Å; S113-H239 PolarHBondContact OG-NE2 2.85Å
114L87.3Confident95.1Very high96 Ų9641.8 Ų41.850%0.50323%0.225SC..SBendtrans-90.8119.8178.1-63.4179.3000109.8E112 S116 R117E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.08Å; L114-S116 PolarHBondContact O-N 2.98Å; L114-R117 HydrophobicContact CB-CG 3.94Å; L114-R117 WeakPolarHBondContact O-CB 3.44Å; L114-R117 PolarHBondContact O-N 3.05Å
115S85.8Confident95.1Very high110 Ų11043 Ų4377%0.76923%0.233SC*.THydrogen-bonded Turntrans-63.1-14.8179.463.70000114.4R117S115-R117 VanDerWaalsContact C-N 3.29Å
116S88.8Confident95.1Very high102 Ų10243.8 Ų43.871%0.71324%0.237SC*.THydrogen-bonded Turntrans-83.7-2.4173.264.30000113.4L114L114-S116 PolarHBondContact O-N 2.98Å
117R89.8Confident95Very high162 Ų16248.4 Ų48.461%0.61126%0.261SS*.SBendtrans-102.6144.9175.1-64.1-68.7-173.6170.10.4109.7E112 L114 S115E112-R117 HydrophobicContact CB-CB 3.83Å; E112-R117 HydrophobicContact CG-CB 4.01Å; L114-R117 HydrophobicContact CB-CG 3.94Å; L114-R117 WeakPolarHBondContact O-CB 3.44Å; L114-R117 PolarHBondContact O-N 3.05Å; S115-R117 VanDerWaalsContact C-N 3.29Å
118V93.5Very high94.9Very high56 Ų5649.4 Ų49.434%0.33928%0.275SS..PPolyproline II helixtrans-85.8135.7176.3-167.90000108.7E112 Y120 K134 S135E112-V118 WeakPolarHBondContact CG-O 3.2Å; V118-Y120 HydrophobicContact CB-CE2 3.89Å; V118-Y120 HydrophobicContact CG1-CE2 4.15Å; V118-Y120 WeakPolarHBondContact O-CD2 3.21Å; V118-Y120 VanDerWaalsContact O-CE2 3.27Å; V118-Y120 WeakPolarHBondContact O-CE2 3.36Å; V118-K134 HydrophobicContact CB-CG 4.44Å; V118-K134 HydrophobicContact CG1-CD 4.09Å; V118-K134 HydrophobicContact CG1-CG 3.31Å; V118-S135 VanDerWaalsContact CG1-O 3.22Å; V118-S135 WeakPolarHBondContact CG1-O 3.37Å
119S96.8Very high94.7Very high3 Ų358.4 Ų58.42%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-89.7138.8178.2-55.10000111.1G111 E112 K134 S135G111-S119 WeakPolarHBondContact CA-OG 3.37Å; E112-S119 PolarHBondContact N-OG 3.18Å; S119-K134 WeakPolarHBondContact O-CA 3.18Å; S119-S135 WeakPolarHBondContact CB-O 3.41Å; S119-S135 PolarHBondContact N-O 3.41Å; S119-S135 PolarHBondContact O-N 3.41Å; S119-S135 VanDerWaalsContact O-N 3.1Å
120Y95.8Very high94.6Very high86 Ų8661.6 Ų61.634%0.33733%0.328SS..EExtended strand (participates in β ladder)trans-125.4127.4-177.4-66.6-123.8000108.6V118 K134 F217 R234 G235V118-Y120 HydrophobicContact CB-CE2 3.89Å; V118-Y120 HydrophobicContact CG1-CE2 4.15Å; V118-Y120 WeakPolarHBondContact O-CD2 3.21Å; V118-Y120 VanDerWaalsContact O-CE2 3.27Å; V118-Y120 WeakPolarHBondContact O-CE2 3.36Å; Y120-K134 HydrophobicContact CD1-CD 4.38Å; Y120-K134 HydrophobicContact CD1-CG 4.46Å; Y120-K134 HydrophobicContact CD2-CG 4.49Å; Y120-K134 HydrophobicContact CE1-CD 3.72Å; Y120-K134 HydrophobicContact CE1-CG 4.22Å; Y120-K134 HydrophobicContact CE2-CD 4.16Å; Y120-K134 HydrophobicContact CE2-CG 4.19Å; Y120-K134 WeakPolarHBondContact OH-CE 3.49Å; Y120-K134 PolarHBondContact OH-NZ 2.61Å; Y120-F217 HydrophobicContact CD1-CE1 4.38Å; Y120-F217 HydrophobicContact CD1-CZ 4.01Å; Y120-F217 AromaticContact CE1-CZ 3.98Å; Y120-F217 HydrophobicContact CE1-CZ 3.98Å; Y120-R234 CarbonylContact O-C 3.47Å; Y120-R234 WeakPolarHBondContact O-CA 3.4Å; Y120-R234 WeakPolarHBondContact O-CB 3.5Å; Y120-R234 PolarHBondContact O-N 2.84Å; Y120-G235 PolarHBondContact O-N 2.92Å
121Y97.3Very high94.5Very high4 Ų462.8 Ų62.82%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-159.9158.4-178.350.7-87.5000110.8L123 Q133 S135 L138 V231 Q232Y121-L123 HydrophobicContact CD2-CB 4.04Å; Y121-L123 HydrophobicContact CE2-CB 4.05Å; Y121-L123 HydrophobicContact CE2-CD2 4.45Å; Y121-Q133 HydrophobicContact CD2-CB 3.96Å; Y121-Q133 HydrophobicContact CE1-CB 4.46Å; Y121-Q133 HydrophobicContact CE2-CB 3.5Å; Y121-Q133 VanDerWaalsContact CE2-CB 3.5Å; Y121-Q133 HydrophobicContact CE2-CG 4.12Å; Y121-Q133 PolarHBondContact N-O 2.76Å; Y121-Q133 PolarHBondContact O-N 3.16Å; Y121-S135 WeakPolarHBondContact CE1-OG 3.37Å; Y121-S135 PolarHBondContact OH-OG 3.11Å; Y121-L138 HydrophobicContact CE2-CB 4.46Å; Y121-V231 HydrophobicContact CD2-CG1 3.88Å; Y121-V231 HydrophobicContact CG-CG1 4.04Å; Y121-Q232 CarbonylContact C-O 3.6Å; Y121-Q232 WeakPolarHBondContact CA-O 3.44Å; Y121-Q232 VanDerWaalsContact CB-O 3.27Å; Y121-Q232 WeakPolarHBondContact CB-O 3.47Å
122D97Very high94.4Very high14 Ų1466.9 Ų66.98%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-96.5129.3165.3-57.9-32.9000108.3F130 K132 V231 Q232 R234D122-F130 HydrophobicContact CB-CD1 3.9Å; D122-K132 WeakPolarHBondContact OD1-CG 3.23Å; D122-V231 CarbonylContact O-C 3.6Å; D122-V231 WeakPolarHBondContact O-CA 3.49Å; D122-Q232 HydrophobicContact CB-CB 4.28Å; D122-Q232 PolarHBondContact N-O 2.84Å; D122-Q232 PolarHBondContact O-N 2.55Å; D122-R234 IonicContact OD1-CZ 2.92Å; D122-R234 IonicContact OD1-NE 2.71Å; D122-R234 PolarHBondContact OD1-NE 2.75Å; D122-R234 IonicContact OD1-NH2 3.35Å; D122-R234 PolarHBondContact OD1-NH2 3.04Å; D122-R234 IonicContact OD2-CZ 3.81Å; D122-R234 VanDerWaalsContact OD2-CZ 3.26Å; D122-R234 IonicContact OD2-NE 3.45Å; D122-R234 PolarHBondContact OD2-NE 2.64Å; D122-R234 IonicContact OD2-NH2 3.1Å; D122-R234 PolarHBondContact OD2-NH2 3.17Å
123L97.6Very high94.5Very high0 Ų065.8 Ų65.80%035%0.347CS..EExtended strand (participates in β ladder)trans-115.8128.6-177.1174.560.8000110.5Y121 V125 F130 T131 Q133 L138 V208 F220 M229 V231Y121-L123 HydrophobicContact CD2-CB 4.04Å; Y121-L123 HydrophobicContact CE2-CB 4.05Å; Y121-L123 HydrophobicContact CE2-CD2 4.45Å; L123-V125 HydrophobicContact CD1-CG2 4.46Å; L123-V125 HydrophobicContact CD2-CG2 4.4Å; L123-V125 HydrophobicContact CG-CG2 4.32Å; L123-F130 CarbonylContact O-C 3.58Å; L123-F130 WeakPolarHBondContact O-CA 3.33Å; L123-T131 PolarHBondContact N-O 3.23Å; L123-T131 PolarHBondContact O-N 3.26Å; L123-Q133 HydrophobicContact CB-CG 4.22Å; L123-L138 HydrophobicContact CD1-CD2 4.25Å; L123-V208 HydrophobicContact CD2-CG2 4.42Å; L123-F220 HydrophobicContact CD2-CD1 4.43Å; L123-F220 HydrophobicContact CD2-CE1 3.63Å; L123-F220 HydrophobicContact CD2-CZ 3.76Å; L123-F220 HydrophobicContact CG-CZ 4.39Å; L123-M229 HydrophobicContact CD1-CE 3.42Å; L123-M229 VanDerWaalsContact CD1-CE 3.42Å; L123-M229 HydrophobicContact CD2-CE 4.16Å; L123-M229 HydrophobicContact CG-CE 4.36Å; L123-V231 HydrophobicContact CD1-CG2 3.91Å
124Q98Very high94.8Very high40 Ų4065.2 Ų65.219%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-114.9128.4167.3177.1178.956.800109.2G128 F130 M229 V230Q124-G128 WeakPolarHBondContact CG-O 3.33Å; Q124-G128 PolarHBondContact NE2-O 2.68Å; Q124-F130 HydrophobicContact CB-CD1 3.71Å; Q124-F130 HydrophobicContact CB-CD2 4.18Å; Q124-F130 HydrophobicContact CB-CE1 3.58Å; Q124-F130 HydrophobicContact CB-CE2 4.06Å; Q124-F130 HydrophobicContact CB-CG 4.01Å; Q124-F130 HydrophobicContact CB-CZ 3.77Å; Q124-F130 HydrophobicContact CG-CE2 4.47Å; Q124-M229 WeakPolarHBondContact O-CA 3.29Å; Q124-V230 HydrophobicContact CB-CB 4.23Å; Q124-V230 PolarHBondContact N-O 3.17Å; Q124-V230 PolarHBondContact O-N 2.75Å
125V98.3Very high95.3Very high27 Ų2760.7 Ų60.716%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-106.3125172.5169.70000108.3L123 D127 G128 Y206 F220 M229L123-V125 HydrophobicContact CD1-CG2 4.46Å; L123-V125 HydrophobicContact CD2-CG2 4.4Å; L123-V125 HydrophobicContact CG-CG2 4.32Å; V125-D127 PolarHBondContact O-N 3.46Å; V125-G128 WeakPolarHBondContact O-CA 3.46Å; V125-G128 PolarHBondContact O-N 3.43Å; V125-Y206 HydrophobicContact CG1-CE1 4.23Å; V125-Y206 HydrophobicContact CG2-CD1 4.37Å; V125-Y206 HydrophobicContact CG2-CE1 3.89Å; V125-F220 HydrophobicContact CG2-CZ 3.76Å; V125-M229 HydrophobicContact CG2-CE 4.1Å
126D97.5Very high95.8Very high50 Ų5057 Ų5727%0.26729%0.288SS..THydrogen-bonded Turntrans49.5-129.9-174.3-63.8-42.2000112.2G128 R227 K228D126-G128 VanDerWaalsContact C-N 3.26Å; D126-R227 WeakPolarHBondContact OD1-CA 3.43Å; D126-R227 WeakPolarHBondContact OD1-CB 3.42Å; D126-R227 PolarHBondContact OD1-N 3.27Å; D126-K228 PolarHBondContact N-O 3.4Å; D126-K228 WeakPolarHBondContact O-CE 3.38Å; D126-K228 PolarHBondContact OD1-N 3.13Å
127D95.4Very high96.2Very high137 Ų13752.1 Ų52.173%0.73325%0.254SS*.THydrogen-bonded Turntrans-93.619.3176.4-62.6-62000112.3V125 K228V125-D127 PolarHBondContact O-N 3.46Å; D127-K228 VanDerWaalsContact OD1-CE 3.3Å; D127-K228 WeakPolarHBondContact OD1-CE 3.35Å; D127-K228 IonicContact OD1-NZ 2.78Å; D127-K228 PolarHBondContact OD1-NZ 2.86Å; D127-K228 IonicContact OD2-NZ 3.81Å
128G95.7Very high96.6Very high34 Ų3444.4 Ų44.435%0.35123%0.225SC..SBendtrans-69.3-179.7177.900000113.4Q124 V125 D126Q124-G128 WeakPolarHBondContact CG-O 3.33Å; Q124-G128 PolarHBondContact NE2-O 2.68Å; V125-G128 WeakPolarHBondContact O-CA 3.46Å; V125-G128 PolarHBondContact O-N 3.43Å; D126-G128 VanDerWaalsContact C-N 3.26Å
129K95.6Very high96.9Very high189 Ų18941.7 Ų41.782%0.82221%0.209SC*.  trans-80.3145.8173.6-65.8179.4-179.6177.60110.4T131K129-T131 PolarHBondContact O-N 3.03Å; K129-T131 PolarHBondContact O-OG1 3.36Å
130F96.1Very high97Very high96 Ų9641.6 Ų41.642%0.42121%0.208SC..  trans-59.6128.9165.7-81.3-82.3000110.1D122 L123 Q124 V230D122-F130 HydrophobicContact CB-CD1 3.9Å; L123-F130 CarbonylContact O-C 3.58Å; L123-F130 WeakPolarHBondContact O-CA 3.33Å; Q124-F130 HydrophobicContact CB-CD1 3.71Å; Q124-F130 HydrophobicContact CB-CD2 4.18Å; Q124-F130 HydrophobicContact CB-CE1 3.58Å; Q124-F130 HydrophobicContact CB-CE2 4.06Å; Q124-F130 HydrophobicContact CB-CG 4.01Å; Q124-F130 HydrophobicContact CB-CZ 3.77Å; Q124-F130 HydrophobicContact CG-CE2 4.47Å; F130-V230 HydrophobicContact CE1-CB 4.26Å; F130-V230 HydrophobicContact CE1-CG1 4.1Å; F130-V230 HydrophobicContact CZ-CB 4.09Å; F130-V230 HydrophobicContact CZ-CG1 3.85Å
131T95.6Very high97.1Very high29 Ų2937.5 Ų37.518%0.17819%0.192CC..EExtended strand (participates in β ladder)trans-120.4127.3178-55.10000108.9L123 K129 Q133 P218 F220L123-T131 PolarHBondContact N-O 3.23Å; L123-T131 PolarHBondContact O-N 3.26Å; K129-T131 PolarHBondContact O-N 3.03Å; K129-T131 PolarHBondContact O-OG1 3.36Å; T131-Q133 PolarHBondContact O-N 2.93Å; T131-P218 HydrophobicContact CG2-CG 3.71Å; T131-F220 HydrophobicContact CG2-CD2 4Å
132K96.1Very high97.2Very high87 Ų8737.3 Ų37.338%0.37819%0.191SC..EExtended strand (participates in β ladder)trans-66.5131.6174.5-55.5-158.9174.3-171.40109.1D122 F217D122-K132 WeakPolarHBondContact OD1-CG 3.23Å; K132-F217 HydrophobicContact CB-CD1 4.09Å; K132-F217 HydrophobicContact CB-CE1 4.38Å
133Q96.3Very high97.2Very high1 Ų136.7 Ų36.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-127.9144.2177.9-70.7-64.1-70.400110.7Y121 L123 T131 F220Y121-Q133 HydrophobicContact CD2-CB 3.96Å; Y121-Q133 HydrophobicContact CE1-CB 4.46Å; Y121-Q133 HydrophobicContact CE2-CB 3.5Å; Y121-Q133 VanDerWaalsContact CE2-CB 3.5Å; Y121-Q133 HydrophobicContact CE2-CG 4.12Å; Y121-Q133 PolarHBondContact N-O 2.76Å; Y121-Q133 PolarHBondContact O-N 3.16Å; L123-Q133 HydrophobicContact CB-CG 4.22Å; T131-Q133 PolarHBondContact O-N 2.93Å; Q133-F220 VanDerWaalsContact NE2-CB 3.34Å
134K96.2Very high97.2Very high46 Ų4637.6 Ų37.620%0.219%0.194CC..EExtended strand (participates in β ladder)trans-135.4119.3173.7178.4176.4175.8175.40108.2V118 S119 Y120 V212 F217V118-K134 HydrophobicContact CB-CG 4.44Å; V118-K134 HydrophobicContact CG1-CD 4.09Å; V118-K134 HydrophobicContact CG1-CG 3.31Å; S119-K134 WeakPolarHBondContact O-CA 3.18Å; Y120-K134 HydrophobicContact CD1-CD 4.38Å; Y120-K134 HydrophobicContact CD1-CG 4.46Å; Y120-K134 HydrophobicContact CD2-CG 4.49Å; Y120-K134 HydrophobicContact CE1-CD 3.72Å; Y120-K134 HydrophobicContact CE1-CG 4.22Å; Y120-K134 HydrophobicContact CE2-CD 4.16Å; Y120-K134 HydrophobicContact CE2-CG 4.19Å; Y120-K134 WeakPolarHBondContact OH-CE 3.49Å; Y120-K134 PolarHBondContact OH-NZ 2.61Å; K134-V212 HydrophobicContact CB-CB 4.49Å; K134-V212 HydrophobicContact CG-CB 4.38Å; K134-V212 PolarHBondContact O-N 2.95Å; K134-F217 HydrophobicContact CB-CD1 3.58Å; K134-F217 HydrophobicContact CB-CD2 3.9Å; K134-F217 HydrophobicContact CB-CE1 3.56Å; K134-F217 HydrophobicContact CB-CE2 3.89Å; K134-F217 HydrophobicContact CB-CG 3.75Å; K134-F217 HydrophobicContact CB-CZ 3.72Å; K134-F217 HydrophobicContact CD-CD2 4.11Å; K134-F217 HydrophobicContact CD-CE2 3.58Å; K134-F217 HydrophobicContact CD-CZ 3.84Å; K134-F217 HydrophobicContact CG-CE2 4.34Å; K134-F217 HydrophobicContact CG-CZ 4.31Å
135S97.3Very high97.2Very high1 Ų135.7 Ų35.71%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-162.4173.5-165.875.30000111.4V118 S119 Y121 G137 R209V118-S135 VanDerWaalsContact CG1-O 3.22Å; V118-S135 WeakPolarHBondContact CG1-O 3.37Å; S119-S135 WeakPolarHBondContact CB-O 3.41Å; S119-S135 PolarHBondContact N-O 3.41Å; S119-S135 PolarHBondContact O-N 3.41Å; S119-S135 VanDerWaalsContact O-N 3.1Å; Y121-S135 WeakPolarHBondContact CE1-OG 3.37Å; Y121-S135 PolarHBondContact OH-OG 3.11Å; S135-G137 PolarHBondContact O-N 3.15Å; S135-G137 VanDerWaalsContact O-N 3.16Å; S135-G137 PolarHBondContact OG-N 2.92Å; S135-G137 PolarHBondContact OG-O 3.27Å; S135-R209 CarbonylContact C-O 3.52Å; S135-R209 WeakPolarHBondContact CB-O 3.43Å
136S97.1Very high97.2Very high32 Ų3234.4 Ų34.422%0.22418%0.177CC..SBendtrans-71.75.8168.9-59.70000113.6R209 D210S136-R209 PolarHBondContact N-O 3.29Å; S136-D210 WeakPolarHBondContact CB-OD2 3.35Å; S136-D210 WeakPolarHBondContact OG-CB 3.36Å; S136-D210 PolarHBondContact OG-OD2 2.83Å
137G97.5Very high97.1Very high0 Ų035.9 Ų35.90%019%0.188CC..  trans124179.2-179.200000113.1I110 S135 R209I110-G137 CarbonylContact O-C 3.59Å; I110-G137 VanDerWaalsContact O-CA 3.29Å; I110-G137 WeakPolarHBondContact O-CA 3.47Å; S135-G137 PolarHBondContact O-N 3.15Å; S135-G137 VanDerWaalsContact O-N 3.16Å; S135-G137 PolarHBondContact OG-N 2.92Å; S135-G137 PolarHBondContact OG-O 3.27Å; G137-R209 WeakPolarHBondContact O-CB 3.39Å; G137-R209 PolarHBondContact O-N 3.43Å
138L98.3Very high97Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-123.1128.2-179.517769.6000109.2F109 I110 Y121 L123 V140 V208 M229 V231F109-L138 CarbonylContact C-O 3.56Å; F109-L138 WeakPolarHBondContact CA-O 3.49Å; F109-L138 WeakPolarHBondContact CD2-O 3.35Å; I110-L138 HydrophobicContact CB-CB 4.42Å; I110-L138 PolarHBondContact N-O 2.92Å; I110-L138 PolarHBondContact O-N 3.07Å; Y121-L138 HydrophobicContact CE2-CB 4.46Å; L123-L138 HydrophobicContact CD1-CD2 4.25Å; L138-V140 HydrophobicContact CD1-CG2 4.37Å; L138-V140 HydrophobicContact CD2-CG2 3.97Å; L138-V140 HydrophobicContact CG-CG2 3.9Å; L138-V208 HydrophobicContact CD1-CG2 4.02Å; L138-M229 HydrophobicContact CD1-CE 4.25Å; L138-M229 HydrophobicContact CD2-CE 4.07Å; L138-V231 HydrophobicContact CD2-CG2 3.7Å
139T98.5Very high96.9Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-108.2131.2168.5-57.90000108.7D107 W149 Y206 A207D107-T139 HydrophobicContact CB-CG2 4.17Å; T139-W149 HydrophobicContact CG2-CD2 4.47Å; T139-W149 HydrophobicContact CG2-CE3 4.25Å; T139-Y206 CarbonylContact O-C 3.51Å; T139-Y206 VanDerWaalsContact O-CA 3.27Å; T139-Y206 WeakPolarHBondContact O-CA 2.95Å; T139-A207 PolarHBondContact N-O 3.11Å; T139-A207 PolarHBondContact O-N 2.82Å
140V98.8Very high97Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-125.7121.9174.1-172.60000108.4I29 D107 V108 L138 L204 A205 M229 L258I29-V140 HydrophobicContact CD1-CG1 4.19Å; I29-V140 WeakPolarHBondContact CD1-O 3.47Å; D107-V140 CarbonylContact C-O 3.19Å; D107-V140 WeakPolarHBondContact CA-O 3.36Å; D107-V140 WeakPolarHBondContact CB-O 3.31Å; V108-V140 PolarHBondContact N-O 3.25Å; V108-V140 PolarHBondContact O-N 2.71Å; L138-V140 HydrophobicContact CD1-CG2 4.37Å; L138-V140 HydrophobicContact CD2-CG2 3.97Å; L138-V140 HydrophobicContact CG-CG2 3.9Å; V140-L204 HydrophobicContact CG1-CB 3.78Å; V140-L204 HydrophobicContact CG1-CD1 4.28Å; V140-L204 HydrophobicContact CG1-CD2 3.92Å; V140-L204 HydrophobicContact CG1-CG 4.21Å; V140-A205 CarbonylContact C-O 3.34Å; V140-A205 WeakPolarHBondContact CA-O 3.1Å; V140-M229 HydrophobicContact CG1-SD 3.91Å; V140-M229 HydrophobicContact CG2-CE 4.13Å; V140-M229 HydrophobicContact CG2-SD 3.79Å; V140-L258 HydrophobicContact CB-CD2 3.88Å; V140-L258 HydrophobicContact CG1-CD2 4.08Å; V140-L258 HydrophobicContact CG2-CD2 3.93Å
141C98.6Very high97.1Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-126.9162.2-174.1750000113.8N106 D107 Y150 A205N106-C141 CarbonylContact O-C 3.44Å; N106-C141 WeakPolarHBondContact O-CA 3.3Å; N106-C141 WeakPolarHBondContact O-CB 3.39Å; D107-C141 HydrophobicContact CB-CB 3.76Å; C141-Y150 WeakPolarHBondContact SG-CB 3.43Å; C141-Y150 VanDerWaalsContact SG-CG 3.52Å; C141-A205 PolarHBondContact N-O 3.35Å; C141-A205 PolarHBondContact O-N 2.91Å
142T98.7Very high97.1Very high0 Ų026.3 Ų26.30%014%0.136CC..  trans-90.2177.2167.276.10000110.3Q27 I29 L105 N106 T144 G145 S146 F197 I260Q27-T142 WeakPolarHBondContact O-CG2 3.16Å; I29-T142 HydrophobicContact CD1-CG2 4.06Å; I29-T142 HydrophobicContact CG1-CG2 3.55Å; L105-T142 PolarHBondContact O-OG1 3.28Å; N106-T142 PolarHBondContact O-N 2.98Å; T142-T144 PolarHBondContact O-N 2.81Å; T142-T144 PolarHBondContact OG1-N 2.99Å; T142-T144 VanDerWaalsContact OG1-N 3.11Å; T142-G145 PolarHBondContact O-N 3.03Å; T142-G145 VanDerWaalsContact O-N 3.15Å; T142-G145 PolarHBondContact OG1-N 3.46Å; T142-S146 PolarHBondContact O-N 2.78Å; T142-F197 WeakPolarHBondContact O-CZ 3.18Å; T142-I260 HydrophobicContact CG2-CD1 4.47Å
143G98.4Very high97.1Very high2 Ų224.8 Ų24.82%0.02113%0.131CC..THydrogen-bonded Turntrans-60.2-30.7171.500000113.8S146 F197 S198G143-S146 WeakPolarHBondContact O-CB 3.27Å; G143-S146 PolarHBondContact O-N 3.1Å; G143-S146 PolarHBondContact O-OG 2.99Å; G143-F197 WeakPolarHBondContact CA-O 3.33Å; G143-S198 WeakPolarHBondContact CA-O 3.35Å
144T97.9Very high97.1Very high19 Ų1925.5 Ų25.512%0.11714%0.135CC..THydrogen-bonded Turntrans-65.3-46.5173.7-56.80000110.6R26 L105 N106 T142 S146 T147R26-T144 VanDerWaalsContact NH1-CG2 3.34Å; R26-T144 PolarHBondContact NH1-OG1 3.4Å; R26-T144 VanDerWaalsContact NH1-OG1 3.08Å; L105-T144 HydrophobicContact CD1-CG2 4.5Å; L105-T144 HydrophobicContact CG-CG2 4.25Å; N106-T144 WeakPolarHBondContact OD1-CG2 3.27Å; T142-T144 PolarHBondContact O-N 2.81Å; T142-T144 PolarHBondContact OG1-N 2.99Å; T142-T144 VanDerWaalsContact OG1-N 3.11Å; T144-S146 PolarHBondContact O-N 3.03Å; T144-T147 PolarHBondContact O-OG1 3.17Å
145G97.8Very high97.2Very high0 Ų027.4 Ų27.40%014%0.144CC..G310 helixtrans-71.5-14.4178.700000114.6T142 T147 S148T142-G145 PolarHBondContact O-N 3.03Å; T142-G145 VanDerWaalsContact O-N 3.15Å; T142-G145 PolarHBondContact OG1-N 3.46Å; G145-T147 PolarHBondContact O-N 2.9Å; G145-S148 PolarHBondContact O-N 3.09Å
146S98.3Very high97.2Very high0 Ų029 Ų290%015%0.152CC..G310 helixtrans-58.9-23-178.175.90000114.3T142 G143 T144 F151 F197T142-S146 PolarHBondContact O-N 2.78Å; G143-S146 WeakPolarHBondContact O-CB 3.27Å; G143-S146 PolarHBondContact O-N 3.1Å; G143-S146 PolarHBondContact O-OG 2.99Å; T144-S146 PolarHBondContact O-N 3.03Å; S146-F151 VanDerWaalsContact O-CB 3.31Å; S146-F151 WeakPolarHBondContact O-CB 3.49Å; S146-F151 PolarHBondContact O-N 2.92Å; S146-F197 PolarHBondContact OG-N 3.41Å; S146-F197 PolarHBondContact OG-O 3.34Å
147T95.6Very high97.2Very high81 Ų8130.5 Ų30.550%0.49716%0.16SC..G310 helixtrans-85.1-9178.4590000114.2T144 G145 V196T144-T147 PolarHBondContact O-OG1 3.17Å; G145-T147 PolarHBondContact O-N 2.9Å; T147-V196 HydrophobicContact CG2-CB 4.49Å; T147-V196 HydrophobicContact CG2-CG1 3.6Å; T147-V196 HydrophobicContact CG2-CG2 4.06Å
148S92.6Very high97.2Very high54 Ų5433.3 Ų33.338%0.37818%0.175SC..THydrogen-bonded Turntrans-107.3-113.6-171.6-64.80000111.5G145 Y150 F151 N152G145-S148 PolarHBondContact O-N 3.09Å; S148-Y150 PolarHBondContact O-N 3.05Å; S148-F151 PolarHBondContact O-N 2.85Å; S148-N152 PolarHBondContact O-N 2.83Å; S148-N152 PolarHBondContact O-ND2 2.79Å
149W93Very high97.2Very high93 Ų9339.8 Ų39.835%0.35221%0.207SC..Hα-helixtrans-64.9-42.8-172.5-160.94.2000112.1F109 T139 F151 N152 I153 R209F109-W149 HydrophobicContact CB-CH2 4.12Å; F109-W149 HydrophobicContact CB-CZ3 3.61Å; F109-W149 HydrophobicContact CD1-CH2 4.37Å; F109-W149 AromaticContact CD2-CH2 3.43Å; F109-W149 HydrophobicContact CD2-CH2 3.43Å; F109-W149 VanDerWaalsContact CD2-CH2 3.43Å; F109-W149 HydrophobicContact CD2-CZ2 4.27Å; F109-W149 AromaticContact CD2-CZ3 3.72Å; F109-W149 HydrophobicContact CD2-CZ3 3.72Å; F109-W149 AromaticContact CE2-CH2 3.9Å; F109-W149 HydrophobicContact CE2-CH2 3.9Å; F109-W149 HydrophobicContact CE2-CZ2 4.46Å; F109-W149 AromaticContact CG-CH2 3.7Å; F109-W149 HydrophobicContact CG-CH2 3.7Å; F109-W149 AromaticContact CG-CZ3 3.73Å; F109-W149 HydrophobicContact CG-CZ3 3.73Å; T139-W149 HydrophobicContact CG2-CD2 4.47Å; T139-W149 HydrophobicContact CG2-CE3 4.25Å; W149-F151 VanDerWaalsContact C-N 3.33Å; W149-F151 PolarHBondContact O-N 3.22Å; W149-N152 PolarHBondContact O-N 2.76Å; W149-N152 VanDerWaalsContact O-N 3.12Å; W149-I153 VanDerWaalsContact CD1-CD1 3.48Å; W149-I153 HydrophobicContact CD2-CD1 4.35Å; W149-I153 HydrophobicContact CG-CD1 3.93Å; W149-I153 HydrophobicContact CG-CG1 4.49Å; W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.38Å; W149-I153 PolarHBondContact O-N 3.12Å; W149-R209 VanDerWaalsContact CZ2-NH1 3.28Å
150Y97.5Very high97.2Very high5 Ų542.9 Ų42.92%0.0223%0.228CC..Hα-helixtrans-56.5-44177.6179.6-95000112.8C141 S148 N154 L195 A205 A207C141-Y150 WeakPolarHBondContact SG-CB 3.43Å; C141-Y150 VanDerWaalsContact SG-CG 3.52Å; S148-Y150 PolarHBondContact O-N 3.05Å; Y150-N154 WeakPolarHBondContact O-CB 3.11Å; Y150-N154 PolarHBondContact O-N 3.05Å; Y150-N154 PolarHBondContact O-ND2 2.87Å; Y150-L195 HydrophobicContact CE1-CB 4.39Å; Y150-L195 WeakPolarHBondContact CE1-O 3.47Å; Y150-A205 HydrophobicContact CD2-CB 4.36Å; Y150-A205 HydrophobicContact CE1-CB 4.48Å; Y150-A205 HydrophobicContact CE2-CB 3.89Å; Y150-A207 HydrophobicContact CD2-CB 4.03Å; Y150-A207 HydrophobicContact CE2-CB 4.15Å
151F98Very high97.1Very high48 Ų4843.3 Ų43.321%0.21123%0.23CC..Hα-helixtrans-59.8-50.4174.7-175.8-93.8000111.3S146 S148 W149 I153 N154 K155 N192 L195 V196S146-F151 VanDerWaalsContact O-CB 3.31Å; S146-F151 WeakPolarHBondContact O-CB 3.49Å; S146-F151 PolarHBondContact O-N 2.92Å; S148-F151 PolarHBondContact O-N 2.85Å; W149-F151 VanDerWaalsContact C-N 3.33Å; W149-F151 PolarHBondContact O-N 3.22Å; F151-I153 VanDerWaalsContact C-N 3.34Å; F151-I153 PolarHBondContact O-N 2.89Å; F151-N154 PolarHBondContact O-N 2.87Å; F151-N154 VanDerWaalsContact O-N 3.12Å; F151-K155 HydrophobicContact CD1-CB 4.29Å; F151-K155 HydrophobicContact CD1-CD 4.11Å; F151-K155 HydrophobicContact CE1-CB 4.04Å; F151-K155 HydrophobicContact CE1-CD 3.85Å; F151-K155 HydrophobicContact CZ-CB 4.4Å; F151-K155 WeakPolarHBondContact O-CB 3.48Å; F151-K155 PolarHBondContact O-N 3.23Å; F151-N192 HydrophobicContact CE2-CB 3.79Å; F151-N192 WeakPolarHBondContact CE2-O 3.49Å; F151-N192 HydrophobicContact CZ-CB 3.77Å; F151-L195 HydrophobicContact CD2-CB 4.01Å; F151-L195 HydrophobicContact CD2-CD1 4.25Å; F151-L195 HydrophobicContact CE2-CD1 4.49Å; F151-V196 HydrophobicContact CD2-CG2 3.82Å; F151-V196 HydrophobicContact CE2-CG2 4.19Å
152N96.6Very high97.1Very high84 Ų8445 Ų4545%0.44924%0.237SC..Hα-helixtrans-69.6-29.6-173-74.6-69000113.6S148 W149 N154 K155S148-N152 PolarHBondContact O-N 2.83Å; S148-N152 PolarHBondContact O-ND2 2.79Å; W149-N152 PolarHBondContact O-N 2.76Å; W149-N152 VanDerWaalsContact O-N 3.12Å; N152-N154 VanDerWaalsContact C-N 3.35Å; N152-K155 PolarHBondContact OD1-NZ 2.78Å
153I95.5Very high97Very high54 Ų5449.1 Ų49.128%0.27726%0.259SS..Hα-helixtrans-66.5-39.5171.4-67.1161.1000110.7W149 F151 A207 R209W149-I153 VanDerWaalsContact CD1-CD1 3.48Å; W149-I153 HydrophobicContact CD2-CD1 4.35Å; W149-I153 HydrophobicContact CG-CD1 3.93Å; W149-I153 HydrophobicContact CG-CG1 4.49Å; W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.38Å; W149-I153 PolarHBondContact O-N 3.12Å; F151-I153 VanDerWaalsContact C-N 3.34Å; F151-I153 PolarHBondContact O-N 2.89Å; I153-A207 HydrophobicContact CG2-CB 4.26Å; I153-R209 HydrophobicContact CD1-CG 4Å
154N97.6Very high97Very high17 Ų1753.5 Ų53.59%0.09128%0.282CS..Hα-helixtrans-102.9-9.8-165.8-71.8-69.9000115.1Y150 F151 N152 L195 R223Y150-N154 WeakPolarHBondContact O-CB 3.11Å; Y150-N154 PolarHBondContact O-N 3.05Å; Y150-N154 PolarHBondContact O-ND2 2.87Å; F151-N154 PolarHBondContact O-N 2.87Å; F151-N154 VanDerWaalsContact O-N 3.12Å; N152-N154 VanDerWaalsContact C-N 3.35Å; N154-L195 HydrophobicContact CB-CD1 3.86Å; N154-L195 HydrophobicContact CB-CD2 3.86Å; N154-L195 HydrophobicContact CB-CG 4.47Å; N154-R223 WeakPolarHBondContact OD1-CD 3.42Å; N154-R223 PolarHBondContact OD1-NH1 3.41Å
155K97.5Very high97Very high86 Ų8653.9 Ų53.937%0.37428%0.283SS..PPolyproline II helixtrans-63.6139.4-17566.4-175.9-179.9-1720111.6F151 N152 N192 L195F151-K155 HydrophobicContact CD1-CB 4.29Å; F151-K155 HydrophobicContact CD1-CD 4.11Å; F151-K155 HydrophobicContact CE1-CB 4.04Å; F151-K155 HydrophobicContact CE1-CD 3.85Å; F151-K155 HydrophobicContact CZ-CB 4.4Å; F151-K155 WeakPolarHBondContact O-CB 3.48Å; F151-K155 PolarHBondContact O-N 3.23Å; N152-K155 PolarHBondContact OD1-NZ 2.78Å; K155-N192 VanDerWaalsContact CA-OD1 3.23Å; K155-N192 WeakPolarHBondContact CA-OD1 3.42Å; K155-N192 WeakPolarHBondContact CB-OD1 3.17Å; K155-L195 HydrophobicContact CB-CD1 4.3Å
156L97.8Very high97Very high33 Ų3358.5 Ų58.517%0.17330%0.303CS..PPolyproline II helixtrans-76.7129.1165.3-175.361.8000108.6C160 L161 F191 N192L156-C160 HydrophobicContact CD1-CB 4.03Å; L156-L161 HydrophobicContact CD1-CB 4.42Å; L156-L161 HydrophobicContact CD2-CB 4.05Å; L156-L161 HydrophobicContact CD2-CD1 4.1Å; L156-L161 HydrophobicContact CD2-CD2 4.4Å; L156-L161 HydrophobicContact CD2-CG 4.4Å; L156-L161 HydrophobicContact CG-CB 4.17Å; L156-F191 HydrophobicContact CB-CD1 3.59Å; L156-F191 HydrophobicContact CB-CE1 3.9Å; L156-F191 HydrophobicContact CB-CG 4.13Å; L156-F191 HydrophobicContact CD2-CB 4.34Å; L156-F191 HydrophobicContact CD2-CG 4.23Å; L156-N192 PolarHBondContact N-OD1 2.61Å; L156-N192 PolarHBondContact O-ND2 2.98Å
157T97.6Very high97Very high65 Ų6564 Ų6440%0.39933%0.332SS..PPolyproline II helixtrans-94.4152.7174.663.70000110.3M159 C160 L161T157-M159 VanDerWaalsContact C-N 3.29Å; T157-M159 PolarHBondContact O-N 2.88Å; T157-C160 PolarHBondContact O-N 2.82Å; T157-C160 VanDerWaalsContact OG1-CB 3.26Å; T157-C160 WeakPolarHBondContact OG1-CB 3.46Å; T157-C160 PolarHBondContact OG1-N 3.05Å; T157-L161 PolarHBondContact O-N 2.8Å
158D97.7Very high97.1Very high59 Ų5962.5 Ų62.532%0.31632%0.322SS..Hα-helixtrans-57.4-44.4178.7-62.9-4.3000111.1C160 L161 K162 V184 C188D158-C160 PolarHBondContact O-N 3.05Å; D158-L161 PolarHBondContact O-N 2.78Å; D158-K162 WeakPolarHBondContact O-CB 3.33Å; D158-K162 VanDerWaalsContact O-CG 3.3Å; D158-K162 WeakPolarHBondContact O-CG 3.21Å; D158-K162 PolarHBondContact O-N 2.85Å; D158-V184 HydrophobicContact CB-CG1 3.66Å; D158-C188 PolarHBondContact OD1-SG 3.12Å
159M97.3Very high97.3Very high136 Ų13660.7 Ų60.767%0.6731%0.309SS*.Hα-helixtrans-56-50.3175.5-176.6-179179.300112.2T157 L161 K162 D163T157-M159 VanDerWaalsContact C-N 3.29Å; T157-M159 PolarHBondContact O-N 2.88Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.25Å; M159-K162 PolarHBondContact O-N 3.17Å; M159-D163 VanDerWaalsContact O-CG 3.31Å; M159-D163 PolarHBondContact O-N 3.47Å
160C97.5Very high97.5Very high65 Ų6560.4 Ų60.444%0.43932%0.315SS..Hα-helixtrans-62.6-40.2-179.9-177.80000111.7L156 T157 D158 L164L156-C160 HydrophobicContact CD1-CB 4.03Å; T157-C160 PolarHBondContact O-N 2.82Å; T157-C160 VanDerWaalsContact OG1-CB 3.26Å; T157-C160 WeakPolarHBondContact OG1-CB 3.46Å; T157-C160 PolarHBondContact OG1-N 3.05Å; D158-C160 PolarHBondContact O-N 3.05Å; C160-L164 WeakPolarHBondContact O-CB 3.38Å; C160-L164 PolarHBondContact O-N 2.98Å; C160-L164 VanDerWaalsContact O-N 3.08Å
161L97.9Very high97.6Very high9 Ų967 Ų675%0.04735%0.346CS..Hα-helixtrans-66.9-43176.3179.561.6000111.7L156 T157 D158 M159 L164 L165 V184 I187 C188L156-L161 HydrophobicContact CD1-CB 4.42Å; L156-L161 HydrophobicContact CD2-CB 4.05Å; L156-L161 HydrophobicContact CD2-CD1 4.1Å; L156-L161 HydrophobicContact CD2-CD2 4.4Å; L156-L161 HydrophobicContact CD2-CG 4.4Å; L156-L161 HydrophobicContact CG-CB 4.17Å; T157-L161 PolarHBondContact O-N 2.8Å; D158-L161 PolarHBondContact O-N 2.78Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.25Å; L161-L164 PolarHBondContact O-N 2.95Å; L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CD2 4.12Å; L161-L165 HydrophobicContact CD1-CG 3.69Å; L161-L165 HydrophobicContact CD2-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 3.81Å; L161-L165 HydrophobicContact CG-CG 4.05Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.46Å; L161-L165 PolarHBondContact O-N 2.88Å; L161-V184 HydrophobicContact CD2-CG1 4.1Å; L161-I187 HydrophobicContact CD1-CG2 4.11Å; L161-I187 HydrophobicContact CD2-CB 3.61Å; L161-I187 HydrophobicContact CD2-CG2 3.5Å; L161-I187 HydrophobicContact CG-CG2 4.5Å; L161-C188 VanDerWaalsContact CD2-SG 3.55Å
162K98.2Very high97.6Very high35 Ų3571.5 Ų71.515%0.15237%0.366CS..Hα-helixtrans-58.9-49.2177.2-74.7-169.7173.7-163.40111.6D158 M159 L164 L165 K166 Y178 E179 E181 V184D158-K162 WeakPolarHBondContact O-CB 3.33Å; D158-K162 VanDerWaalsContact O-CG 3.3Å; D158-K162 WeakPolarHBondContact O-CG 3.21Å; D158-K162 PolarHBondContact O-N 2.85Å; M159-K162 PolarHBondContact O-N 3.17Å; K162-L164 VanDerWaalsContact C-N 3.31Å; K162-L164 PolarHBondContact O-N 2.8Å; K162-L165 PolarHBondContact O-N 3.36Å; K162-K166 WeakPolarHBondContact O-CB 3.48Å; K162-K166 PolarHBondContact O-N 3.31Å; K162-Y178 WeakPolarHBondContact CG-O 3.35Å; K162-E179 IonicContact NZ-OE2 3.64Å; K162-E179 PolarHBondContact NZ-OE2 3.42Å; K162-E181 WeakPolarHBondContact CE-OE1 3.29Å; K162-E181 IonicContact NZ-OE1 2.87Å; K162-E181 PolarHBondContact NZ-OE1 2.75Å; K162-E181 IonicContact NZ-OE2 2.66Å; K162-V184 HydrophobicContact CG-CG1 4.16Å; K162-V184 HydrophobicContact CG-CG2 3.89Å
163D97.9Very high97.5Very high87 Ų8775.9 Ų75.947%0.46538%0.383SS..Hα-helixtrans-58.3-45.5178.4-69.1-21.3000110.9M159 L167M159-D163 VanDerWaalsContact O-CG 3.31Å; M159-D163 PolarHBondContact O-N 3.47Å; D163-L167 WeakPolarHBondContact O-CG 3.22Å; D163-L167 PolarHBondContact O-N 2.82Å; D163-L167 VanDerWaalsContact O-N 3.15Å
164L97.5Very high97.6Very high94 Ų9476.5 Ų76.549%0.49239%0.389SS..Hα-helixtrans-66-46.1178.1-178.861.8000112.5C160 L161 K162 K166 L167 V168C160-L164 WeakPolarHBondContact O-CB 3.38Å; C160-L164 PolarHBondContact O-N 2.98Å; C160-L164 VanDerWaalsContact O-N 3.08Å; L161-L164 PolarHBondContact O-N 2.95Å; K162-L164 VanDerWaalsContact C-N 3.31Å; K162-L164 PolarHBondContact O-N 2.8Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.69Å; L164-L167 PolarHBondContact O-N 2.88Å; L164-V168 WeakPolarHBondContact O-CG2 3.13Å; L164-V168 PolarHBondContact O-N 3.37Å
165L97.4Very high97.5Very high26 Ų2685.2 Ų85.214%0.13643%0.43CS..Hα-helixtrans-65.4-33.9-179.6-71.2-179.4000111.9L161 K162 V168 S169 I176 I187L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CD2 4.12Å; L161-L165 HydrophobicContact CD1-CG 3.69Å; L161-L165 HydrophobicContact CD2-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 3.81Å; L161-L165 HydrophobicContact CG-CG 4.05Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.46Å; L161-L165 PolarHBondContact O-N 2.88Å; K162-L165 PolarHBondContact O-N 3.36Å; L165-V168 PolarHBondContact O-N 2.76Å; L165-S169 VanDerWaalsContact O-CB 3.29Å; L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-I176 HydrophobicContact CB-CG2 4.11Å; L165-I176 HydrophobicContact CD1-CG2 4.21Å; L165-I176 HydrophobicContact CD2-CG2 4.22Å; L165-I176 HydrophobicContact CG-CG2 4.41Å; L165-I187 HydrophobicContact CD1-CD1 4.45Å
166K97.7Very high97.5Very high97 Ų9783.2 Ų83.242%0.42242%0.423SS..Hα-helixtrans-62.5-49.2172.6-179.7173.9-179.3174.40111.3K162 L164 V168 S169 D170 Y178K162-K166 WeakPolarHBondContact O-CB 3.48Å; K162-K166 PolarHBondContact O-N 3.31Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.69Å; K166-V168 VanDerWaalsContact C-N 3.28Å; K166-V168 PolarHBondContact O-N 2.76Å; K166-S169 WeakPolarHBondContact O-CB 3.36Å; K166-S169 PolarHBondContact O-N 2.79Å; K166-S169 VanDerWaalsContact O-N 3.1Å; K166-D170 VanDerWaalsContact O-CG 3.3Å; K166-D170 PolarHBondContact O-N 3.18Å; K166-Y178 HydrophobicContact CB-CD1 4.2Å; K166-Y178 HydrophobicContact CB-CD2 4.19Å; K166-Y178 HydrophobicContact CB-CE1 4.13Å; K166-Y178 HydrophobicContact CB-CE2 4.12Å; K166-Y178 HydrophobicContact CB-CG 4.24Å; K166-Y178 HydrophobicContact CD-CE2 4.16Å; K166-Y178 HydrophobicContact CG-CE1 4.15Å; K166-Y178 HydrophobicContact CG-CE2 4.17Å
167L98.1Very high97.3Very high117 Ų11785.4 Ų85.461%0.61344%0.439SS*.Hα-helixtrans-57.4-42.1175.9-69.4170.4000112D163 L164 D170 E171D163-L167 WeakPolarHBondContact O-CG 3.22Å; D163-L167 PolarHBondContact O-N 2.82Å; D163-L167 VanDerWaalsContact O-N 3.15Å; L164-L167 PolarHBondContact O-N 2.88Å; L167-D170 PolarHBondContact O-N 2.87Å; L167-E171 WeakPolarHBondContact O-CB 3.27Å; L167-E171 PolarHBondContact O-N 2.89Å
168V98.2Very high97.2Very high48 Ų4884.7 Ų84.729%0.29143%0.429SS..Hα-helixtrans-66.2-41.4176.1173.70000111.4L164 L165 K166 D170 F172 I176L164-V168 WeakPolarHBondContact O-CG2 3.13Å; L164-V168 PolarHBondContact O-N 3.37Å; L165-V168 PolarHBondContact O-N 2.76Å; K166-V168 VanDerWaalsContact C-N 3.28Å; K166-V168 PolarHBondContact O-N 2.76Å; V168-D170 VanDerWaalsContact C-N 3.3Å; V168-D170 PolarHBondContact O-N 2.87Å; V168-F172 HydrophobicContact CB-CD2 4.46Å; V168-F172 HydrophobicContact CG1-CD2 3.76Å; V168-F172 HydrophobicContact CG1-CE2 4.2Å; V168-F172 WeakPolarHBondContact O-CD2 3.29Å; V168-F172 PolarHBondContact O-N 3.16Å; V168-F172 VanDerWaalsContact O-N 3.08Å; V168-I176 HydrophobicContact CB-CD1 4.17Å; V168-I176 HydrophobicContact CG1-CD1 3.62Å
169S97.4Very high97.1Very high16 Ų1687.8 Ų87.811%0.11244%0.442CS..Hα-helixtrans-59.1-44.7176.9-168.60000111.1L165 K166 H173 V174L165-S169 VanDerWaalsContact O-CB 3.29Å; L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.08Å; K166-S169 WeakPolarHBondContact O-CB 3.36Å; K166-S169 PolarHBondContact O-N 2.79Å; K166-S169 VanDerWaalsContact O-N 3.1Å; S169-H173 VanDerWaalsContact O-CA 3.29Å; S169-H173 WeakPolarHBondContact O-CA 3.27Å; S169-H173 PolarHBondContact O-N 3.1Å; S169-V174 WeakPolarHBondContact CA-O 3.12Å; S169-V174 WeakPolarHBondContact CB-O 3.29Å; S169-V174 PolarHBondContact O-N 2.88Å; S169-V174 VanDerWaalsContact O-N 3.12Å; S169-V174 PolarHBondContact OG-O 2.85Å
170D97.3Very high97.1Very high88 Ų8884.5 Ų84.547%0.47143%0.427SS..Hα-helixtrans-70.7-49-179.2-66.1-19.6000111.6K166 L167 V168 F172 H173K166-D170 VanDerWaalsContact O-CG 3.3Å; K166-D170 PolarHBondContact O-N 3.18Å; L167-D170 PolarHBondContact O-N 2.87Å; V168-D170 VanDerWaalsContact C-N 3.3Å; V168-D170 PolarHBondContact O-N 2.87Å; D170-F172 PolarHBondContact O-N 2.79Å; D170-H173 PolarHBondContact O-CE1 3.1Å; D170-H173 PolarHBondContact O-N 3.07Å; D170-H173 PolarHBondContact O-ND1 3.36Å
171E98.4Very high97.1Very high143 Ų14385.6 Ų85.667%0.66843%0.425SS*.Hα-helixtrans-63.9-41.2-176.7-176.465.2-156.100112.7L167L167-E171 WeakPolarHBondContact O-CB 3.27Å; L167-E171 PolarHBondContact O-N 2.89Å
172F97.9Very high97Very high142 Ų14288.8 Ų88.862%0.62345%0.448SS*.THydrogen-bonded Turntrans-99.23-177.3-62.5-74.6000113.2V168 D170 V174V168-F172 HydrophobicContact CB-CD2 4.46Å; V168-F172 HydrophobicContact CG1-CD2 3.76Å; V168-F172 HydrophobicContact CG1-CE2 4.2Å; V168-F172 WeakPolarHBondContact O-CD2 3.29Å; V168-F172 PolarHBondContact O-N 3.16Å; V168-F172 VanDerWaalsContact O-N 3.08Å; D170-F172 PolarHBondContact O-N 2.79Å; F172-V174 HydrophobicContact CB-CG1 4.33Å; F172-V174 HydrophobicContact CB-CG2 4Å; F172-V174 PolarHBondContact O-N 3.44Å
173H96.3Very high96.9Very high176 Ų17689.2 Ų89.282%0.81545%0.454SS*.THydrogen-bonded Turntrans50.337.9-176.7-54.3-44.3000113.5S169 D170S169-H173 VanDerWaalsContact O-CA 3.29Å; S169-H173 WeakPolarHBondContact O-CA 3.27Å; S169-H173 PolarHBondContact O-N 3.1Å; D170-H173 PolarHBondContact O-CE1 3.1Å; D170-H173 PolarHBondContact O-N 3.07Å; D170-H173 PolarHBondContact O-ND1 3.36Å
174V97.2Very high96.9Very high68 Ų6885 Ų8541%0.41243%0.432SS..  trans-105.9140179-70.50000109.8S169 F172 I176S169-V174 WeakPolarHBondContact CA-O 3.12Å; S169-V174 WeakPolarHBondContact CB-O 3.29Å; S169-V174 PolarHBondContact O-N 2.88Å; S169-V174 VanDerWaalsContact O-N 3.12Å; S169-V174 PolarHBondContact OG-O 2.85Å; F172-V174 HydrophobicContact CB-CG1 4.33Å; F172-V174 HydrophobicContact CB-CG2 4Å; F172-V174 PolarHBondContact O-N 3.44Å; V174-I176 HydrophobicContact CG2-CD1 3.79Å; V174-I176 HydrophobicContact CG2-CG1 3.89Å; V174-I176 PolarHBondContact O-N 2.8Å; V174-I176 VanDerWaalsContact O-N 3.1Å
175Q95.3Very high96.9Very high200 Ų20085.6 Ų85.694%0.93543%0.432SS*.  trans-78.894.8175.2-69.1-171.3-15.300110.2
176I96Very high96.9Very high44 Ų4491 Ų9123%0.22645%0.454CS..  trans-98.3125.8171.8-63.3171.2000107.7L165 V168 V174 Y178L165-I176 HydrophobicContact CB-CG2 4.11Å; L165-I176 HydrophobicContact CD1-CG2 4.21Å; L165-I176 HydrophobicContact CD2-CG2 4.22Å; L165-I176 HydrophobicContact CG-CG2 4.41Å; V168-I176 HydrophobicContact CB-CD1 4.17Å; V168-I176 HydrophobicContact CG1-CD1 3.62Å; V174-I176 HydrophobicContact CG2-CD1 3.79Å; V174-I176 HydrophobicContact CG2-CG1 3.89Å; V174-I176 PolarHBondContact O-N 2.8Å; V174-I176 VanDerWaalsContact O-N 3.1Å; I176-Y178 WeakPolarHBondContact O-CD1 3.47Å; I176-Y178 PolarHBondContact O-N 2.77Å
177P95.6Very high97Very high78 Ų7889.4 Ų89.451%0.50645%0.449SS..  trans-76.763.7178.733.4-36.5000110.9E179 D180 V183P177-E179 PolarHBondContact O-N 2.81Å; P177-D180 HydrophobicContact CB-CB 4.12Å; P177-D180 WeakPolarHBondContact O-CB 3.44Å; P177-D180 PolarHBondContact O-N 2.84Å; P177-D180 VanDerWaalsContact O-N 3.12Å; P177-V183 HydrophobicContact CG-CG2 4.34Å
178Y94.6Very high97Very high51 Ų5184 Ų8420%0.242%0.421CS..THydrogen-bonded Turntrans-69.3-17.7-176.357.7-102.5000113.5K162 K166 I176 V184K162-Y178 WeakPolarHBondContact CG-O 3.35Å; K166-Y178 HydrophobicContact CB-CD1 4.2Å; K166-Y178 HydrophobicContact CB-CD2 4.19Å; K166-Y178 HydrophobicContact CB-CE1 4.13Å; K166-Y178 HydrophobicContact CB-CE2 4.12Å; K166-Y178 HydrophobicContact CB-CG 4.24Å; K166-Y178 HydrophobicContact CD-CE2 4.16Å; K166-Y178 HydrophobicContact CG-CE1 4.15Å; K166-Y178 HydrophobicContact CG-CE2 4.17Å; I176-Y178 WeakPolarHBondContact O-CD1 3.47Å; I176-Y178 PolarHBondContact O-N 2.77Å; Y178-V184 VanDerWaalsContact O-CG2 3.23Å; Y178-V184 WeakPolarHBondContact O-CG2 3.43Å
179E95.7Very high97Very high124 Ų12487.6 Ų87.658%0.57943%0.433SS*.THydrogen-bonded Turntrans-86.4-7172.2-63.9-60.3171.200113.9K162 P177 E181K162-E179 IonicContact NZ-OE2 3.64Å; K162-E179 PolarHBondContact NZ-OE2 3.42Å; P177-E179 PolarHBondContact O-N 2.81Å; E179-E181 PolarHBondContact O-N 2.88Å; E179-E181 VanDerWaalsContact O-N 3.15Å
180D97.1Very high97Very high67 Ų6794.7 Ų94.736%0.35846%0.457SS..  trans-76.2103.8174.6-175.1-25.6000110P177 S182 V183 V184P177-D180 HydrophobicContact CB-CB 4.12Å; P177-D180 WeakPolarHBondContact O-CB 3.44Å; P177-D180 PolarHBondContact O-N 2.84Å; P177-D180 VanDerWaalsContact O-N 3.12Å; D180-S182 PolarHBondContact O-N 3.35Å; D180-S182 VanDerWaalsContact O-N 3.17Å; D180-S182 WeakPolarHBondContact OD1-CA 3.28Å; D180-S182 VanDerWaalsContact OD1-CB 3.3Å; D180-S182 WeakPolarHBondContact OD1-CB 3.33Å; D180-S182 PolarHBondContact OD1-N 3.17Å; D180-S182 PolarHBondContact OD1-OG 3.08Å; D180-V183 HydrophobicContact CB-CB 4.12Å; D180-V183 HydrophobicContact CB-CG2 3.96Å; D180-V183 PolarHBondContact O-N 3.4Å; D180-V183 PolarHBondContact OD1-N 2.96Å; D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.48Å
181E97Very high97Very high88 Ų8894 Ų9441%0.41145%0.45SS..Hα-helixtrans-53.9-35.4179.3-64.6-60.7163.100112.9K162 E179 V183 V184 Q185K162-E181 WeakPolarHBondContact CE-OE1 3.29Å; K162-E181 IonicContact NZ-OE1 2.87Å; K162-E181 PolarHBondContact NZ-OE1 2.75Å; K162-E181 IonicContact NZ-OE2 2.66Å; E179-E181 PolarHBondContact O-N 2.88Å; E179-E181 VanDerWaalsContact O-N 3.15Å; E181-V183 VanDerWaalsContact C-N 3.35Å; E181-V183 PolarHBondContact O-N 2.94Å; E181-V184 PolarHBondContact O-N 3.41Å; E181-Q185 VanDerWaalsContact O-CB 3.24Å; E181-Q185 WeakPolarHBondContact O-CB 3.38Å; E181-Q185 WeakPolarHBondContact O-CG 3.2Å; E181-Q185 PolarHBondContact O-N 2.92Å
182S97.2Very high97Very high76 Ų7688 Ų8853%0.53142%0.423SS..Hα-helixtrans-68.7-36.9-179.378.10000111.7D180 K186D180-S182 PolarHBondContact O-N 3.35Å; D180-S182 VanDerWaalsContact O-N 3.17Å; D180-S182 WeakPolarHBondContact OD1-CA 3.28Å; D180-S182 VanDerWaalsContact OD1-CB 3.3Å; D180-S182 WeakPolarHBondContact OD1-CB 3.33Å; D180-S182 PolarHBondContact OD1-N 3.17Å; D180-S182 PolarHBondContact OD1-OG 3.08Å; S182-K186 WeakPolarHBondContact O-CB 3.48Å; S182-K186 PolarHBondContact O-N 2.91Å; S182-K186 VanDerWaalsContact O-N 3.1Å
183V95.3Very high97Very high43 Ų4385.4 Ų85.426%0.26142%0.415SS..Hα-helixtrans-69.9-47.9176.3174.20000110P177 D180 E181 K186 I187P177-V183 HydrophobicContact CG-CG2 4.34Å; D180-V183 HydrophobicContact CB-CB 4.12Å; D180-V183 HydrophobicContact CB-CG2 3.96Å; D180-V183 PolarHBondContact O-N 3.4Å; D180-V183 PolarHBondContact OD1-N 2.96Å; E181-V183 VanDerWaalsContact C-N 3.35Å; E181-V183 PolarHBondContact O-N 2.94Å; V183-K186 PolarHBondContact O-N 3.17Å; V183-I187 HydrophobicContact CG1-CD1 3.83Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 2.93Å
184V97.8Very high97Very high0 Ų084.8 Ų84.80%041%0.411CS..Hα-helixtrans-59.4-53.3179.2174.20000110.6D158 L161 K162 Y178 D180 E181 K186 I187 C188D158-V184 HydrophobicContact CB-CG1 3.66Å; L161-V184 HydrophobicContact CD2-CG1 4.1Å; K162-V184 HydrophobicContact CG-CG1 4.16Å; K162-V184 HydrophobicContact CG-CG2 3.89Å; Y178-V184 VanDerWaalsContact O-CG2 3.23Å; Y178-V184 WeakPolarHBondContact O-CG2 3.43Å; D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.48Å; E181-V184 PolarHBondContact O-N 3.41Å; V184-K186 VanDerWaalsContact C-N 3.31Å; V184-K186 PolarHBondContact O-N 2.75Å; V184-I187 PolarHBondContact O-N 3.44Å; V184-I187 VanDerWaalsContact O-N 3.16Å; V184-C188 WeakPolarHBondContact O-CB 3.06Å; V184-C188 PolarHBondContact O-N 2.8Å
185Q97.8Very high97Very high106 Ų10682 Ų8250%0.49539%0.393SS..Hα-helixtrans-59.6-40.9179.4-72.4173700112.1E181 I187 K189E181-Q185 VanDerWaalsContact O-CB 3.24Å; E181-Q185 WeakPolarHBondContact O-CB 3.38Å; E181-Q185 WeakPolarHBondContact O-CG 3.2Å; E181-Q185 PolarHBondContact O-N 2.92Å; Q185-I187 PolarHBondContact O-N 3.2Å; Q185-K189 WeakPolarHBondContact O-CB 3.41Å; Q185-K189 PolarHBondContact O-N 2.87Å
186K98Very high97.2Very high140 Ų14075.4 Ų75.461%0.60937%0.366SS*.Hα-helixtrans-63-41.8177.6-178178.2-179.1178.40112S182 V183 V184 R190S182-K186 WeakPolarHBondContact O-CB 3.48Å; S182-K186 PolarHBondContact O-N 2.91Å; S182-K186 VanDerWaalsContact O-N 3.1Å; V183-K186 PolarHBondContact O-N 3.17Å; V184-K186 VanDerWaalsContact C-N 3.31Å; V184-K186 PolarHBondContact O-N 2.75Å; K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.36Å; K186-R190 PolarHBondContact O-N 3.28Å
187I98.1Very high97.3Very high62 Ų6274.5 Ų74.532%0.31836%0.361SS..Hα-helixtrans-71.2-48.3179-66.1168.7000110.4L161 L165 V183 V184 Q185 K189 R190 F191L161-I187 HydrophobicContact CD1-CG2 4.11Å; L161-I187 HydrophobicContact CD2-CB 3.61Å; L161-I187 HydrophobicContact CD2-CG2 3.5Å; L161-I187 HydrophobicContact CG-CG2 4.5Å; L165-I187 HydrophobicContact CD1-CD1 4.45Å; V183-I187 HydrophobicContact CG1-CD1 3.83Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 2.93Å; V184-I187 PolarHBondContact O-N 3.44Å; V184-I187 VanDerWaalsContact O-N 3.16Å; Q185-I187 PolarHBondContact O-N 3.2Å; I187-K189 VanDerWaalsContact C-N 3.3Å; I187-K189 PolarHBondContact O-N 3.02Å; I187-R190 PolarHBondContact O-N 2.82Å; I187-R190 VanDerWaalsContact O-N 3.16Å; I187-F191 PolarHBondContact O-N 2.94Å
188C98.5Very high97.4Very high4 Ų473.5 Ų73.53%0.02736%0.356CS..Hα-helixtrans-53.7-48.2174.6-77.20000111D158 L161 V184 R190 F191 N192D158-C188 PolarHBondContact OD1-SG 3.12Å; L161-C188 VanDerWaalsContact CD2-SG 3.55Å; V184-C188 WeakPolarHBondContact O-CB 3.06Å; V184-C188 PolarHBondContact O-N 2.8Å; C188-R190 PolarHBondContact O-N 2.99Å; C188-F191 PolarHBondContact O-N 3.15Å; C188-N192 VanDerWaalsContact O-CB 3.24Å; C188-N192 WeakPolarHBondContact O-CB 3.3Å; C188-N192 PolarHBondContact O-N 3.46Å; C188-N192 PolarHBondContact O-ND2 3.33Å
189K97.9Very high97.5Very high124 Ų12472.5 Ų72.554%0.53936%0.355SS..Hα-helixtrans-57-50.8175.9-175.4-177.9-176.9-59.50111.8Q185 I187 F191 N192 D193Q185-K189 WeakPolarHBondContact O-CB 3.41Å; Q185-K189 PolarHBondContact O-N 2.87Å; I187-K189 VanDerWaalsContact C-N 3.3Å; I187-K189 PolarHBondContact O-N 3.02Å; K189-F191 VanDerWaalsContact C-N 3.26Å; K189-F191 PolarHBondContact O-N 3.26Å; K189-N192 PolarHBondContact O-N 3.18Å; K189-D193 IonicContact NZ-OD1 2.75Å; K189-D193 IonicContact NZ-OD2 2.89Å; K189-D193 PolarHBondContact NZ-OD2 3.13Å; K189-D193 WeakPolarHBondContact O-CB 3.45Å; K189-D193 PolarHBondContact O-N 2.85Å
190R98.2Very high97.7Very high164 Ų16470.5 Ų70.562%0.61935%0.346SS*.Hα-helixtrans-61.5-32.4179.7-74.517369.1-166.43.4113.5K186 I187 C188K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.36Å; K186-R190 PolarHBondContact O-N 3.28Å; I187-R190 PolarHBondContact O-N 2.82Å; I187-R190 VanDerWaalsContact O-N 3.16Å; C188-R190 PolarHBondContact O-N 2.99Å
191F98.1Very high97.7Very high73 Ų7368.6 Ų68.632%0.3234%0.336SS..Hα-helixtrans-71.5-51173.6-179.5-84.3000110.5L156 I187 C188 K189 D193 K194L156-F191 HydrophobicContact CB-CD1 3.59Å; L156-F191 HydrophobicContact CB-CE1 3.9Å; L156-F191 HydrophobicContact CB-CG 4.13Å; L156-F191 HydrophobicContact CD2-CB 4.34Å; L156-F191 HydrophobicContact CD2-CG 4.23Å; I187-F191 PolarHBondContact O-N 2.94Å; C188-F191 PolarHBondContact O-N 3.15Å; K189-F191 VanDerWaalsContact C-N 3.26Å; K189-F191 PolarHBondContact O-N 3.26Å; F191-D193 PolarHBondContact O-N 3.3Å; F191-K194 WeakPolarHBondContact O-CB 3.34Å; F191-K194 PolarHBondContact O-N 2.72Å
192N98.2Very high97.8Very high18 Ų1868.3 Ų68.310%0.09634%0.342CS..Hα-helixtrans-67.9-32.9-174.1-69.2-22.6000112.9F151 K155 L156 C188 K189 K194 L195F151-N192 HydrophobicContact CE2-CB 3.79Å; F151-N192 WeakPolarHBondContact CE2-O 3.49Å; F151-N192 HydrophobicContact CZ-CB 3.77Å; K155-N192 VanDerWaalsContact CA-OD1 3.23Å; K155-N192 WeakPolarHBondContact CA-OD1 3.42Å; K155-N192 WeakPolarHBondContact CB-OD1 3.17Å; L156-N192 PolarHBondContact N-OD1 2.61Å; L156-N192 PolarHBondContact O-ND2 2.98Å; C188-N192 VanDerWaalsContact O-CB 3.24Å; C188-N192 WeakPolarHBondContact O-CB 3.3Å; C188-N192 PolarHBondContact O-N 3.46Å; C188-N192 PolarHBondContact O-ND2 3.33Å; K189-N192 PolarHBondContact O-N 3.18Å; N192-K194 PolarHBondContact O-N 2.78Å; N192-K194 VanDerWaalsContact O-N 3.1Å; N192-L195 VanDerWaalsContact O-CB 3.3Å; N192-L195 WeakPolarHBondContact O-CB 3.43Å; N192-L195 PolarHBondContact O-N 2.86Å
193D97.3Very high97.8Very high87 Ų8769.3 Ų69.347%0.46533%0.334SS..THydrogen-bonded Turntrans-58.4-23.4175.2-73.7-14.1000112.2K189 F191 L195K189-D193 IonicContact NZ-OD1 2.75Å; K189-D193 IonicContact NZ-OD2 2.89Å; K189-D193 PolarHBondContact NZ-OD2 3.13Å; K189-D193 WeakPolarHBondContact O-CB 3.45Å; K189-D193 PolarHBondContact O-N 2.85Å; F191-D193 PolarHBondContact O-N 3.3Å; D193-L195 VanDerWaalsContact C-N 3.32Å
194K96.4Very high98Very high164 Ų16467.2 Ų67.271%0.71332%0.321SS*.THydrogen-bonded Turntrans-79-14.4176.8-57.4176.5-176.2179.90113.6F191 N192F191-K194 WeakPolarHBondContact O-CB 3.34Å; F191-K194 PolarHBondContact O-N 2.72Å; N192-K194 PolarHBondContact O-N 2.78Å; N192-K194 VanDerWaalsContact O-N 3.1Å
195L97.4Very high98Very high8 Ų867.2 Ų67.24%0.04232%0.321CS..THydrogen-bonded Turntrans-80.4-25-179.3-58.2175.9000111.6Y150 F151 N154 K155 N192 D193Y150-L195 HydrophobicContact CE1-CB 4.39Å; Y150-L195 WeakPolarHBondContact CE1-O 3.47Å; F151-L195 HydrophobicContact CD2-CB 4.01Å; F151-L195 HydrophobicContact CD2-CD1 4.25Å; F151-L195 HydrophobicContact CE2-CD1 4.49Å; N154-L195 HydrophobicContact CB-CD1 3.86Å; N154-L195 HydrophobicContact CB-CD2 3.86Å; N154-L195 HydrophobicContact CB-CG 4.47Å; K155-L195 HydrophobicContact CB-CD1 4.3Å; N192-L195 VanDerWaalsContact O-CB 3.3Å; N192-L195 WeakPolarHBondContact O-CB 3.43Å; N192-L195 PolarHBondContact O-N 2.86Å; D193-L195 VanDerWaalsContact C-N 3.32Å
196V98Very high98.1Very high62 Ų6262.8 Ų62.838%0.37630%0.3SS..  trans-89.3130.1176.6-1790000108.9T147 F151T147-V196 HydrophobicContact CG2-CB 4.49Å; T147-V196 HydrophobicContact CG2-CG1 3.6Å; T147-V196 HydrophobicContact CG2-CG2 4.06Å; F151-V196 HydrophobicContact CD2-CG2 3.82Å; F151-V196 HydrophobicContact CE2-CG2 4.19Å
197F98.3Very high98.1Very high25 Ų2556.1 Ų56.111%0.1127%0.271CS..  trans-134.7165.5-179.563.3-84.1000111.5T142 G143 S146 D201 A205 F225T142-F197 WeakPolarHBondContact O-CZ 3.18Å; G143-F197 WeakPolarHBondContact CA-O 3.33Å; S146-F197 PolarHBondContact OG-N 3.41Å; S146-F197 PolarHBondContact OG-O 3.34Å; F197-D201 HydrophobicContact CD2-CB 3.74Å; F197-D201 HydrophobicContact CE2-CB 4.16Å; F197-A205 HydrophobicContact CE1-CB 3.46Å; F197-A205 VanDerWaalsContact CE1-CB 3.46Å; F197-A205 HydrophobicContact CZ-CB 3.48Å; F197-A205 VanDerWaalsContact CZ-CB 3.48Å; F197-F225 AromaticContact CD1-CE1 3.86Å; F197-F225 HydrophobicContact CD1-CE1 3.86Å; F197-F225 AromaticContact CD1-CZ 3.93Å; F197-F225 HydrophobicContact CD1-CZ 3.93Å; F197-F225 HydrophobicContact CD2-CE1 4Å; F197-F225 AromaticContact CE1-CE1 3.82Å; F197-F225 HydrophobicContact CE1-CE1 3.82Å; F197-F225 HydrophobicContact CE1-CZ 4.2Å; F197-F225 AromaticContact CE2-CE1 3.94Å; F197-F225 HydrophobicContact CE2-CE1 3.94Å; F197-F225 AromaticContact CG-CE1 3.96Å; F197-F225 HydrophobicContact CG-CE1 3.96Å; F197-F225 HydrophobicContact CG-CZ 4.18Å; F197-F225 AromaticContact CZ-CE1 3.87Å; F197-F225 HydrophobicContact CZ-CE1 3.87Å
198S97.8Very high98.1Very high58 Ų5853.4 Ų53.441%0.40626%0.258SS..  trans-59.2134.1-171.51800000111.7G143 E200 D201G143-S198 WeakPolarHBondContact CA-O 3.35Å; S198-E200 PolarHBondContact O-N 2.83Å; S198-E200 PolarHBondContact OG-N 2.85Å; S198-E200 VanDerWaalsContact OG-N 3.16Å; S198-D201 VanDerWaalsContact O-CB 3.31Å; S198-D201 WeakPolarHBondContact O-CB 3.21Å; S198-D201 PolarHBondContact O-N 3.37Å
199P98.2Very high98Very high29 Ų2955.9 Ų55.919%0.18827%0.266CS..THydrogen-bonded Turntrans-54.5-19.6168.5-27.736.8000114.8L24 R26 Q27L24-P199 HydrophobicContact CD2-CB 4.25Å; L24-P199 HydrophobicContact CD2-CG 4.4Å; R26-P199 WeakPolarHBondContact CA-O 3.38Å; R26-P199 HydrophobicContact CG-CB 4.06Å; Q27-P199 WeakPolarHBondContact CG-O 3.49Å; Q27-P199 PolarHBondContact N-O 3.18Å
200E98.2Very high97.9Very high82 Ų8255 Ų5538%0.38327%0.268SS..THydrogen-bonded Turntrans-91.6-4.5178.8-51.3-168.3105.700113.4L24 W25 S198 P202L24-E200 HydrophobicContact CD1-CG 3.51Å; L24-E200 HydrophobicContact CG-CG 4.25Å; W25-E200 PolarHBondContact N-OE1 3.18Å; W25-E200 WeakPolarHBondContact O-CA 3.39Å; W25-E200 WeakPolarHBondContact O-CG 3.38Å; S198-E200 PolarHBondContact O-N 2.83Å; S198-E200 PolarHBondContact OG-N 2.85Å; S198-E200 VanDerWaalsContact OG-N 3.16Å; E200-P202 WeakPolarHBondContact O-CD 3.27Å
201D98.5Very high97.8Very high28 Ų2849 Ų4915%0.1525%0.25CC..  trans-66.6121.3177.1-166.9-38.7000110.1Q27 F197 S198 R203Q27-D201 WeakPolarHBondContact CG-O 3.49Å; F197-D201 HydrophobicContact CD2-CB 3.74Å; F197-D201 HydrophobicContact CE2-CB 4.16Å; S198-D201 VanDerWaalsContact O-CB 3.31Å; S198-D201 WeakPolarHBondContact O-CB 3.21Å; S198-D201 PolarHBondContact O-N 3.37Å; D201-R203 PolarHBondContact O-N 2.85Å; D201-R203 VanDerWaalsContact O-N 3.11Å; D201-R203 VanDerWaalsContact OD1-CB 3.29Å; D201-R203 WeakPolarHBondContact OD1-CB 3.41Å; D201-R203 WeakPolarHBondContact OD1-CG 3.44Å; D201-R203 IonicContact OD1-CZ 2.73Å; D201-R203 PolarHBondContact OD1-N 3.43Å; D201-R203 IonicContact OD1-NE 2.64Å; D201-R203 PolarHBondContact OD1-NE 2.83Å; D201-R203 IonicContact OD1-NH2 2.75Å; D201-R203 IonicContact OD2-CZ 3.17Å; D201-R203 IonicContact OD2-NE 3.18Å; D201-R203 PolarHBondContact OD2-NE 3.29Å; D201-R203 IonicContact OD2-NH2 3.99Å; D201-R203 PolarHBondContact OD2-NH2 2.84Å
202P97.8Very high97.6Very high82 Ų8248.2 Ų48.253%0.53225%0.251SS..  trans-79.914.4-175.335.1-38000113.5E200E200-P202 WeakPolarHBondContact O-CD 3.27Å
203R98.6Very high97.4Very high96 Ų9651.8 Ų51.836%0.36227%0.266SS..SBendtrans-101.3146.6178.6-62175.9-63.2161.45.2111.3D201 F225 S226D201-R203 PolarHBondContact O-N 2.85Å; D201-R203 VanDerWaalsContact O-N 3.11Å; D201-R203 VanDerWaalsContact OD1-CB 3.29Å; D201-R203 WeakPolarHBondContact OD1-CB 3.41Å; D201-R203 WeakPolarHBondContact OD1-CG 3.44Å; D201-R203 IonicContact OD1-CZ 2.73Å; D201-R203 PolarHBondContact OD1-N 3.43Å; D201-R203 IonicContact OD1-NE 2.64Å; D201-R203 PolarHBondContact OD1-NE 2.83Å; D201-R203 IonicContact OD1-NH2 2.75Å; D201-R203 IonicContact OD2-CZ 3.17Å; D201-R203 IonicContact OD2-NE 3.18Å; D201-R203 PolarHBondContact OD2-NE 3.29Å; D201-R203 IonicContact OD2-NH2 3.99Å; D201-R203 PolarHBondContact OD2-NH2 2.84Å; R203-F225 HydrophobicContact CB-CB 4.48Å; R203-F225 HydrophobicContact CB-CD1 4.08Å; R203-S226 CarbonylContact C-O 3.56Å; R203-S226 WeakPolarHBondContact CA-O 3.42Å; R203-S226 WeakPolarHBondContact CB-O 3.4Å
204L98.8Very high97.2Very high0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-76.2136.3165-58.7170.6000108.4I29 V140 F225 S226 M229 L258 I260I29-L204 HydrophobicContact CB-CD2 4.34Å; I29-L204 HydrophobicContact CD1-CD2 3.82Å; I29-L204 HydrophobicContact CG1-CD2 3.68Å; I29-L204 HydrophobicContact CG2-CD2 3.9Å; V140-L204 HydrophobicContact CG1-CB 3.78Å; V140-L204 HydrophobicContact CG1-CD1 4.28Å; V140-L204 HydrophobicContact CG1-CD2 3.92Å; V140-L204 HydrophobicContact CG1-CG 4.21Å; L204-F225 CarbonylContact O-C 3.48Å; L204-F225 WeakPolarHBondContact O-CA 3.2Å; L204-S226 PolarHBondContact N-O 2.94Å; L204-S226 PolarHBondContact O-N 2.85Å; L204-M229 HydrophobicContact CD1-CG 4.09Å; L204-L258 HydrophobicContact CD1-CB 4.09Å; L204-L258 WeakPolarHBondContact CD1-O 3.46Å; L204-I260 HydrophobicContact CD2-CD1 3.81Å; L204-I260 HydrophobicContact CD2-CG1 3.77Å; L204-I260 HydrophobicContact CG-CD1 4.35Å; L204-I260 HydrophobicContact CG-CG1 4.45Å
205A98.7Very high96.8Very high0 Ų048.9 Ų48.90%027%0.274CS..EExtended strand (participates in β ladder)trans-106.3124.616400000109V140 C141 Y150 F197 G224 F225V140-A205 CarbonylContact C-O 3.34Å; V140-A205 WeakPolarHBondContact CA-O 3.1Å; C141-A205 PolarHBondContact N-O 3.35Å; C141-A205 PolarHBondContact O-N 2.91Å; Y150-A205 HydrophobicContact CD2-CB 4.36Å; Y150-A205 HydrophobicContact CE1-CB 4.48Å; Y150-A205 HydrophobicContact CE2-CB 3.89Å; F197-A205 HydrophobicContact CE1-CB 3.46Å; F197-A205 VanDerWaalsContact CE1-CB 3.46Å; F197-A205 HydrophobicContact CZ-CB 3.48Å; F197-A205 VanDerWaalsContact CZ-CB 3.48Å; A205-G224 CarbonylContact C-O 3.5Å; A205-G224 WeakPolarHBondContact CA-O 3.43Å; A205-F225 HydrophobicContact CB-CD1 3.97Å; A205-F225 HydrophobicContact CB-CE1 3.76Å; A205-F225 HydrophobicContact CB-CZ 4.36Å
206Y98.6Very high96.5Very high13 Ų1352.8 Ų52.85%0.05130%0.298CS..EExtended strand (participates in β ladder)trans-109.6151.317970.2-95.3000111.9V125 T139 V208 F220 P221 R223 G224 M229V125-Y206 HydrophobicContact CG1-CE1 4.23Å; V125-Y206 HydrophobicContact CG2-CD1 4.37Å; V125-Y206 HydrophobicContact CG2-CE1 3.89Å; T139-Y206 CarbonylContact O-C 3.51Å; T139-Y206 VanDerWaalsContact O-CA 3.27Å; T139-Y206 WeakPolarHBondContact O-CA 2.95Å; Y206-V208 HydrophobicContact CD2-CG2 4.46Å; Y206-F220 AromaticContact CE2-CE1 3.65Å; Y206-F220 HydrophobicContact CE2-CE1 3.65Å; Y206-F220 HydrophobicContact CE2-CZ 4.37Å; Y206-F220 AromaticContact CZ-CE1 3.98Å; Y206-P221 WeakPolarHBondContact CE2-O 3.21Å; Y206-R223 WeakPolarHBondContact O-CA 3.21Å; Y206-R223 WeakPolarHBondContact O-CB 3.44Å; Y206-G224 VanDerWaalsContact CD1-O 3.27Å; Y206-G224 WeakPolarHBondContact CD1-O 3.34Å; Y206-G224 VanDerWaalsContact CE1-C 3.47Å; Y206-G224 PolarHBondContact N-O 2.87Å; Y206-G224 PolarHBondContact O-N 2.88Å; Y206-G224 VanDerWaalsContact O-N 3.12Å; Y206-M229 HydrophobicContact CD1-CE 3.94Å; Y206-M229 HydrophobicContact CD1-SD 3.9Å; Y206-M229 HydrophobicContact CD2-CE 4.39Å; Y206-M229 HydrophobicContact CG-CE 3.71Å; Y206-M229 HydrophobicContact CG-SD 4.03Å
207A98.4Very high96.2Very high0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-136.6117.8169.400000109.5T139 Y150 I153 A222T139-A207 PolarHBondContact N-O 3.11Å; T139-A207 PolarHBondContact O-N 2.82Å; Y150-A207 HydrophobicContact CD2-CB 4.03Å; Y150-A207 HydrophobicContact CE2-CB 4.15Å; I153-A207 HydrophobicContact CG2-CB 4.26Å; A207-A222 CarbonylContact C-O 3.55Å; A207-A222 WeakPolarHBondContact CA-O 3.43Å
208V98Very high95.8Very high5 Ų552.5 Ų52.53%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-80.4119.6167.6-178.20000107.5L123 L138 Y206 P211 F220 A222L123-V208 HydrophobicContact CD2-CG2 4.42Å; L138-V208 HydrophobicContact CD1-CG2 4.02Å; Y206-V208 HydrophobicContact CD2-CG2 4.46Å; V208-P211 HydrophobicContact CG1-CB 3.83Å; V208-F220 HydrophobicContact CG2-CD1 4.23Å; V208-F220 HydrophobicContact CG2-CE1 4.35Å; V208-A222 PolarHBondContact N-O 3.34Å
209R96.6Very high95.6Very high56 Ų5655 Ų5521%0.21131%0.312CS..SBendtrans-85123.8-175.1-65.9-177.256.1-153.2-10.4111.1S135 S136 G137 W149 I153S135-R209 CarbonylContact C-O 3.52Å; S135-R209 WeakPolarHBondContact CB-O 3.43Å; S136-R209 PolarHBondContact N-O 3.29Å; G137-R209 WeakPolarHBondContact O-CB 3.39Å; G137-R209 PolarHBondContact O-N 3.43Å; W149-R209 VanDerWaalsContact CZ2-NH1 3.28Å; I153-R209 HydrophobicContact CD1-CG 4Å
210D94.9Very high95.3Very high106 Ų10655 Ų5557%0.56731%0.309SS*.SBendtrans49.555.6176.1-38.8-46.2000113.3S136 V212S136-D210 WeakPolarHBondContact CB-OD2 3.35Å; S136-D210 WeakPolarHBondContact OG-CB 3.36Å; S136-D210 PolarHBondContact OG-OD2 2.83Å; D210-V212 PolarHBondContact O-N 2.85Å
211P96Very high95.1Very high37 Ų3754.8 Ų54.824%0.2431%0.314CS..  trans-63.6136.3-174.726.8-34.2000111.9V208 F213 A222V208-P211 HydrophobicContact CG1-CB 3.83Å; P211-F213 HydrophobicContact CB-CD1 4.47Å; P211-F213 HydrophobicContact CB-CE1 3.68Å; P211-F213 HydrophobicContact CB-CE2 4.19Å; P211-F213 HydrophobicContact CB-CZ 3.52Å; P211-F213 HydrophobicContact CG-CE1 4.28Å; P211-F213 HydrophobicContact CG-CE2 3.96Å; P211-F213 HydrophobicContact CG-CZ 3.59Å; P211-A222 HydrophobicContact CG-CB 4.24Å
212V94.6Very high94.9Very high56 Ų5655.5 Ų55.534%0.33933%0.325SS..  trans-96.3121.5172.6179.60000109.1K134 D210 F217K134-V212 HydrophobicContact CB-CB 4.49Å; K134-V212 HydrophobicContact CG-CB 4.38Å; K134-V212 PolarHBondContact O-N 2.95Å; D210-V212 PolarHBondContact O-N 2.85Å; V212-F217 VanDerWaalsContact O-CB 3.29Å; V212-F217 WeakPolarHBondContact O-CB 3.06Å
213F93.3Very high94.9Very high94 Ų9456.1 Ų56.141%0.41232%0.316SS..  trans-109.7130.3177.2-55.5-48.6000112.1P211 F217 P218 F220P211-F213 HydrophobicContact CB-CD1 4.47Å; P211-F213 HydrophobicContact CB-CE1 3.68Å; P211-F213 HydrophobicContact CB-CE2 4.19Å; P211-F213 HydrophobicContact CB-CZ 3.52Å; P211-F213 HydrophobicContact CG-CE1 4.28Å; P211-F213 HydrophobicContact CG-CE2 3.96Å; P211-F213 HydrophobicContact CG-CZ 3.59Å; F213-F217 CarbonylContact C-O 3.5Å; F213-F217 VanDerWaalsContact CA-O 3.27Å; F213-F217 WeakPolarHBondContact CA-O 3.37Å; F213-P218 WeakPolarHBondContact CD1-O 3.17Å; F213-F220 HydrophobicContact CE1-CB 4.37Å; F213-F220 WeakPolarHBondContact CZ-O 3.43Å
214N93.4Very high94.8Very high77 Ų7752.4 Ų52.441%0.41231%0.307SS..SBendtrans-162.3-171.7173.360.547.9000110.8T216 F217N214-T216 PolarHBondContact O-N 2.99Å; N214-T216 VanDerWaalsContact O-N 3.13Å; N214-T216 WeakPolarHBondContact OD1-CA 3.33Å; N214-T216 WeakPolarHBondContact OD1-CB 3.35Å; N214-T216 PolarHBondContact OD1-N 3.36Å; N214-F217 PolarHBondContact N-O 2.87Å; N214-F217 CarbonylContact O-C 3.57Å; N214-F217 PolarHBondContact O-N 3.21Å; N214-F217 WeakPolarHBondContact OD1-CD2 3.27Å; N214-F217 PolarHBondContact OD1-N 3.3Å
215A89.6Confident94.8Very high113 Ų11355.9 Ų55.993%0.93432%0.323SS*.SBendtrans-58.2-26.9-179.600000114.3
216T89.6Confident94.8Very high90 Ų9056 Ų5655%0.55232%0.324SS*.SBendtrans-90-33.7177.3-55.70000112.5N214N214-T216 PolarHBondContact O-N 2.99Å; N214-T216 VanDerWaalsContact O-N 3.13Å; N214-T216 WeakPolarHBondContact OD1-CA 3.33Å; N214-T216 WeakPolarHBondContact OD1-CB 3.35Å; N214-T216 PolarHBondContact OD1-N 3.36Å
217F91.7Very high94.8Very high26 Ų2664.8 Ų64.811%0.11436%0.357CS..SBendtrans-115.391.9-179.2-57.1-73.9000109.2Y120 K132 K134 V212 F213 N214Y120-F217 HydrophobicContact CD1-CE1 4.38Å; Y120-F217 HydrophobicContact CD1-CZ 4.01Å; Y120-F217 AromaticContact CE1-CZ 3.98Å; Y120-F217 HydrophobicContact CE1-CZ 3.98Å; K132-F217 HydrophobicContact CB-CD1 4.09Å; K132-F217 HydrophobicContact CB-CE1 4.38Å; K134-F217 HydrophobicContact CB-CD1 3.58Å; K134-F217 HydrophobicContact CB-CD2 3.9Å; K134-F217 HydrophobicContact CB-CE1 3.56Å; K134-F217 HydrophobicContact CB-CE2 3.89Å; K134-F217 HydrophobicContact CB-CG 3.75Å; K134-F217 HydrophobicContact CB-CZ 3.72Å; K134-F217 HydrophobicContact CD-CD2 4.11Å; K134-F217 HydrophobicContact CD-CE2 3.58Å; K134-F217 HydrophobicContact CD-CZ 3.84Å; K134-F217 HydrophobicContact CG-CE2 4.34Å; K134-F217 HydrophobicContact CG-CZ 4.31Å; V212-F217 VanDerWaalsContact O-CB 3.29Å; V212-F217 WeakPolarHBondContact O-CB 3.06Å; F213-F217 CarbonylContact C-O 3.5Å; F213-F217 VanDerWaalsContact CA-O 3.27Å; F213-F217 WeakPolarHBondContact CA-O 3.37Å; N214-F217 PolarHBondContact N-O 2.87Å; N214-F217 CarbonylContact O-C 3.57Å; N214-F217 PolarHBondContact O-N 3.21Å; N214-F217 WeakPolarHBondContact OD1-CD2 3.27Å; N214-F217 PolarHBondContact OD1-N 3.3Å
218P91Very high94.8Very high55 Ų5567.7 Ų67.736%0.35737%0.37SS..  trans-67.7158-172.529.6-36.7000111.8T131 F213 F220T131-P218 HydrophobicContact CG2-CG 3.71Å; F213-P218 WeakPolarHBondContact CD1-O 3.17Å; P218-F220 PolarHBondContact O-N 2.91Å
219P92.4Very high94.8Very high110 Ų11067.5 Ų67.571%0.71437%0.368SS*.  trans-51.4133.3171.7-26.235000111.7
220F92.3Very high94.9Very high30 Ų3066 Ų6613%0.13237%0.365CS..  trans-140.9144.4178.6-174.5-94.5000108.5L123 V125 T131 Q133 Y206 V208 F213 P218 A222L123-F220 HydrophobicContact CD2-CD1 4.43Å; L123-F220 HydrophobicContact CD2-CE1 3.63Å; L123-F220 HydrophobicContact CD2-CZ 3.76Å; L123-F220 HydrophobicContact CG-CZ 4.39Å; V125-F220 HydrophobicContact CG2-CZ 3.76Å; T131-F220 HydrophobicContact CG2-CD2 4Å; Q133-F220 VanDerWaalsContact NE2-CB 3.34Å; Y206-F220 AromaticContact CE2-CE1 3.65Å; Y206-F220 HydrophobicContact CE2-CE1 3.65Å; Y206-F220 HydrophobicContact CE2-CZ 4.37Å; Y206-F220 AromaticContact CZ-CE1 3.98Å; V208-F220 HydrophobicContact CG2-CD1 4.23Å; V208-F220 HydrophobicContact CG2-CE1 4.35Å; F213-F220 HydrophobicContact CE1-CB 4.37Å; F213-F220 WeakPolarHBondContact CZ-O 3.43Å; P218-F220 PolarHBondContact O-N 2.91Å; F220-A222 PolarHBondContact O-N 2.83Å; F220-A222 VanDerWaalsContact O-N 3.09Å
221P94.6Very high95.1Very high76 Ų7660.9 Ų60.949%0.49434%0.338SS..  trans-54.8120.2176.7-25.434.9000110.9Y206 R223Y206-P221 WeakPolarHBondContact CE2-O 3.21Å; P221-R223 PolarHBondContact O-N 2.84Å; P221-R223 VanDerWaalsContact O-N 3.12Å
222A94.3Very high95.2Very high44 Ų4462.6 Ų62.636%0.36434%0.343SS..SBendtrans-63.7-20.5-178.100000112.6A207 V208 P211 F220A207-A222 CarbonylContact C-O 3.55Å; A207-A222 WeakPolarHBondContact CA-O 3.43Å; V208-A222 PolarHBondContact N-O 3.34Å; P211-A222 HydrophobicContact CG-CB 4.24Å; F220-A222 PolarHBondContact O-N 2.83Å; F220-A222 VanDerWaalsContact O-N 3.09Å
223R97Very high95.3Very high95 Ų9560 Ų6036%0.35833%0.327SS..EExtended strand (participates in β ladder)trans-148.8160.6170.959.1161.8177-87.6-1.5111.2N154 Y206 P221N154-R223 WeakPolarHBondContact OD1-CD 3.42Å; N154-R223 PolarHBondContact OD1-NH1 3.41Å; Y206-R223 WeakPolarHBondContact O-CA 3.21Å; Y206-R223 WeakPolarHBondContact O-CB 3.44Å; P221-R223 PolarHBondContact O-N 2.84Å; P221-R223 VanDerWaalsContact O-N 3.12Å
224G97.5Very high95.4Very high17 Ų1759.6 Ų59.618%0.17532%0.323CS..EExtended strand (participates in β ladder)trans-178.9-178174.700000112.5A205 Y206A205-G224 CarbonylContact C-O 3.5Å; A205-G224 WeakPolarHBondContact CA-O 3.43Å; Y206-G224 VanDerWaalsContact CD1-O 3.27Å; Y206-G224 WeakPolarHBondContact CD1-O 3.34Å; Y206-G224 VanDerWaalsContact CE1-C 3.47Å; Y206-G224 PolarHBondContact N-O 2.87Å; Y206-G224 PolarHBondContact O-N 2.88Å; Y206-G224 VanDerWaalsContact O-N 3.12Å
225F98.6Very high95.3Very high74 Ų7456 Ų5633%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-108.9151.3172.8-70.6-89.4000110.4F197 R203 L204 A205F197-F225 AromaticContact CD1-CE1 3.86Å; F197-F225 HydrophobicContact CD1-CE1 3.86Å; F197-F225 AromaticContact CD1-CZ 3.93Å; F197-F225 HydrophobicContact CD1-CZ 3.93Å; F197-F225 HydrophobicContact CD2-CE1 4Å; F197-F225 AromaticContact CE1-CE1 3.82Å; F197-F225 HydrophobicContact CE1-CE1 3.82Å; F197-F225 HydrophobicContact CE1-CZ 4.2Å; F197-F225 AromaticContact CE2-CE1 3.94Å; F197-F225 HydrophobicContact CE2-CE1 3.94Å; F197-F225 AromaticContact CG-CE1 3.96Å; F197-F225 HydrophobicContact CG-CE1 3.96Å; F197-F225 HydrophobicContact CG-CZ 4.18Å; F197-F225 AromaticContact CZ-CE1 3.87Å; F197-F225 HydrophobicContact CZ-CE1 3.87Å; R203-F225 HydrophobicContact CB-CB 4.48Å; R203-F225 HydrophobicContact CB-CD1 4.08Å; L204-F225 CarbonylContact O-C 3.48Å; L204-F225 WeakPolarHBondContact O-CA 3.2Å; A205-F225 HydrophobicContact CB-CD1 3.97Å; A205-F225 HydrophobicContact CB-CE1 3.76Å; A205-F225 HydrophobicContact CB-CZ 4.36Å
226S98.5Very high95.3Very high3 Ų360 Ų602%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-151.8164.8174.167.60000111.6R203 L204 K228 M229R203-S226 CarbonylContact C-O 3.56Å; R203-S226 WeakPolarHBondContact CA-O 3.42Å; R203-S226 WeakPolarHBondContact CB-O 3.4Å; L204-S226 PolarHBondContact N-O 2.94Å; L204-S226 PolarHBondContact O-N 2.85Å; S226-K228 PolarHBondContact OG-O 3.17Å; S226-M229 WeakPolarHBondContact OG-CG 3.45Å
227R98.4Very high95.5Very high197 Ų19759.4 Ų59.474%0.74329%0.29SS*.SBendtrans-90.8-32.5169.2-68.9-177.8174.9144.8-1.6111.6D126D126-R227 WeakPolarHBondContact OD1-CA 3.43Å; D126-R227 WeakPolarHBondContact OD1-CB 3.42Å; D126-R227 PolarHBondContact OD1-N 3.27Å
228K98.6Very high95.7Very high61 Ų6158.3 Ų58.327%0.26529%0.285SS..EExtended strand (participates in β ladder)trans-142.8155175.766.1-179.5-177.3-1750111.5D126 D127 S226 L258D126-K228 PolarHBondContact N-O 3.4Å; D126-K228 WeakPolarHBondContact O-CE 3.38Å; D126-K228 PolarHBondContact OD1-N 3.13Å; D127-K228 VanDerWaalsContact OD1-CE 3.3Å; D127-K228 WeakPolarHBondContact OD1-CE 3.35Å; D127-K228 IonicContact OD1-NZ 2.78Å; D127-K228 PolarHBondContact OD1-NZ 2.86Å; D127-K228 IonicContact OD2-NZ 3.81Å; S226-K228 PolarHBondContact OG-O 3.17Å; K228-L258 VanDerWaalsContact CA-O 3.3Å; K228-L258 WeakPolarHBondContact CA-O 3.47Å
229M98.6Very high96Very high0 Ų057.2 Ų57.20%028%0.275CS..EExtended strand (participates in β ladder)trans-136.3142.5170.4-61.8179.36900110L123 Q124 V125 L138 V140 L204 Y206 S226 K257 L258L123-M229 HydrophobicContact CD1-CE 3.42Å; L123-M229 VanDerWaalsContact CD1-CE 3.42Å; L123-M229 HydrophobicContact CD2-CE 4.16Å; L123-M229 HydrophobicContact CG-CE 4.36Å; Q124-M229 WeakPolarHBondContact O-CA 3.29Å; V125-M229 HydrophobicContact CG2-CE 4.1Å; L138-M229 HydrophobicContact CD1-CE 4.25Å; L138-M229 HydrophobicContact CD2-CE 4.07Å; V140-M229 HydrophobicContact CG1-SD 3.91Å; V140-M229 HydrophobicContact CG2-CE 4.13Å; V140-M229 HydrophobicContact CG2-SD 3.79Å; L204-M229 HydrophobicContact CD1-CG 4.09Å; Y206-M229 HydrophobicContact CD1-CE 3.94Å; Y206-M229 HydrophobicContact CD1-SD 3.9Å; Y206-M229 HydrophobicContact CD2-CE 4.39Å; Y206-M229 HydrophobicContact CG-CE 3.71Å; Y206-M229 HydrophobicContact CG-SD 4.03Å; S226-M229 WeakPolarHBondContact OG-CG 3.45Å; M229-K257 CarbonylContact O-C 3.51Å; M229-K257 WeakPolarHBondContact O-CA 3.32Å; M229-L258 HydrophobicContact CB-CB 4.46Å; M229-L258 PolarHBondContact N-O 3.29Å; M229-L258 PolarHBondContact O-N 3.35Å
230V98.7Very high96.2Very high24 Ų2452 Ų5215%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-121.8125.7170.3-1740000108.3Q124 F130 V255 A256 K257Q124-V230 HydrophobicContact CB-CB 4.23Å; Q124-V230 PolarHBondContact N-O 3.17Å; Q124-V230 PolarHBondContact O-N 2.75Å; F130-V230 HydrophobicContact CE1-CB 4.26Å; F130-V230 HydrophobicContact CE1-CG1 4.1Å; F130-V230 HydrophobicContact CZ-CB 4.09Å; F130-V230 HydrophobicContact CZ-CG1 3.85Å; V230-V255 HydrophobicContact CG1-CG1 3.46Å; V230-V255 VanDerWaalsContact CG1-CG1 3.46Å; V230-A256 CarbonylContact C-O 3.54Å; V230-A256 WeakPolarHBondContact CA-O 3.27Å; V230-K257 HydrophobicContact CG2-CG 4.34Å
231V98.6Very high96.5Very high0 Ų051.3 Ų51.30%024%0.24CC..EExtended strand (participates in β ladder)trans-119125.7-179.8-171.10000107.8I110 Y121 D122 L123 L138 F250 V255 A256 L258I110-V231 HydrophobicContact CD1-CB 4.18Å; I110-V231 HydrophobicContact CD1-CG1 4.36Å; I110-V231 HydrophobicContact CD1-CG2 3.97Å; I110-V231 HydrophobicContact CG2-CG1 4.3Å; Y121-V231 HydrophobicContact CD2-CG1 3.88Å; Y121-V231 HydrophobicContact CG-CG1 4.04Å; D122-V231 CarbonylContact O-C 3.6Å; D122-V231 WeakPolarHBondContact O-CA 3.49Å; L123-V231 HydrophobicContact CD1-CG2 3.91Å; L138-V231 HydrophobicContact CD2-CG2 3.7Å; V231-F250 HydrophobicContact CB-CZ 4.24Å; V231-F250 HydrophobicContact CG1-CE1 3.99Å; V231-F250 HydrophobicContact CG1-CZ 4.2Å; V231-F250 WeakPolarHBondContact O-CZ 3.39Å; V231-V255 CarbonylContact O-C 3.5Å; V231-V255 VanDerWaalsContact O-CA 3.27Å; V231-V255 WeakPolarHBondContact O-CA 3.27Å; V231-A256 PolarHBondContact N-O 3.49Å; V231-A256 PolarHBondContact O-N 3.48Å; V231-L258 HydrophobicContact CG2-CD1 4.41Å
232Q97.7Very high96.6Very high72 Ų7247.8 Ų47.834%0.33622%0.217SC..EExtended strand (participates in β ladder)trans-109.2119.4171.8178.8173.99.500109.1Y121 D122 V255Y121-Q232 CarbonylContact C-O 3.6Å; Y121-Q232 WeakPolarHBondContact CA-O 3.44Å; Y121-Q232 VanDerWaalsContact CB-O 3.27Å; Y121-Q232 WeakPolarHBondContact CB-O 3.47Å; D122-Q232 HydrophobicContact CB-CB 4.28Å; D122-Q232 PolarHBondContact N-O 2.84Å; D122-Q232 PolarHBondContact O-N 2.55Å; Q232-V255 HydrophobicContact CB-CG2 4.09Å; Q232-V255 HydrophobicContact CG-CG2 3.94Å
233S97.4Very high96.6Very high3 Ų346.8 Ų46.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-68.7136.3-179.6-173.20000111.8G235 F250 N251 H252 G253 T254S233-G235 PolarHBondContact OG-N 2.76Å; S233-G235 VanDerWaalsContact OG-N 3.08Å; S233-F250 WeakPolarHBondContact CB-O 3.49Å; S233-F250 PolarHBondContact OG-O 2.76Å; S233-N251 WeakPolarHBondContact CB-O 3.49Å; S233-H252 WeakPolarHBondContact O-CA 2.97Å; S233-G253 PolarHBondContact O-N 2.73Å; S233-T254 PolarHBondContact N-O 3.13Å
234R95.8Very high96.3Very high85 Ų8544 Ų4432%0.32121%0.206SC..  trans-113.87.9162.1-60178.6171.6-99.2-10.3111.8Y120 D122Y120-R234 CarbonylContact O-C 3.47Å; Y120-R234 WeakPolarHBondContact O-CA 3.4Å; Y120-R234 WeakPolarHBondContact O-CB 3.5Å; Y120-R234 PolarHBondContact O-N 2.84Å; D122-R234 IonicContact OD1-CZ 2.92Å; D122-R234 IonicContact OD1-NE 2.71Å; D122-R234 PolarHBondContact OD1-NE 2.75Å; D122-R234 IonicContact OD1-NH2 3.35Å; D122-R234 PolarHBondContact OD1-NH2 3.04Å; D122-R234 IonicContact OD2-CZ 3.81Å; D122-R234 VanDerWaalsContact OD2-CZ 3.26Å; D122-R234 IonicContact OD2-NE 3.45Å; D122-R234 PolarHBondContact OD2-NE 2.64Å; D122-R234 IonicContact OD2-NH2 3.1Å; D122-R234 PolarHBondContact OD2-NH2 3.17Å
235G91Very high95.8Very high1 Ų143.2 Ų43.21%0.0120%0.198CC..  trans-80.4169.2-176.800000114.2E112 Y120 S233 H252E112-G235 WeakPolarHBondContact OE1-CA 3.33Å; Y120-G235 PolarHBondContact O-N 2.92Å; S233-G235 PolarHBondContact OG-N 2.76Å; S233-G235 VanDerWaalsContact OG-N 3.08Å; G235-H252 WeakPolarHBondContact O-CA 3.44Å; G235-H252 WeakPolarHBondContact O-CB 3.38Å; G235-H252 PolarHBondContact O-N 3.5Å
236Y89.7Confident95.5Very high196 Ų19639.7 Ų39.777%0.76918%0.183SC*.SBendtrans-113.8-34.2-175.6-64.2-85.5000113.3E112 N251E112-Y236 PolarHBondContact OE1-N 3.39Å; Y236-N251 VanDerWaalsContact C-OD1 3.28Å; Y236-N251 PolarHBondContact O-ND2 2.78Å; Y236-N251 VanDerWaalsContact O-ND2 3.17Å; Y236-N251 PolarHBondContact O-OD1 3.36Å; Y236-N251 VanDerWaalsContact O-OD1 3.04Å
237D93.4Very high95.4Very high78 Ų7839.9 Ų39.942%0.41718%0.184SC..SBendtrans-132.860.2174.4179.724.6000107.2E112 S113 H239 N251E112-D237 CarbonylContact C-O 3.59Å; E112-D237 WeakPolarHBondContact CA-O 3.42Å; E112-D237 PolarHBondContact OE2-N 2.98Å; E112-D237 VanDerWaalsContact OE2-N 3.15Å; S113-D237 WeakPolarHBondContact CB-O 3.19Å; S113-D237 WeakPolarHBondContact CB-OD2 3.49Å; S113-D237 PolarHBondContact N-O 2.98Å; S113-D237 PolarHBondContact OG-O 3Å; S113-D237 PolarHBondContact OG-OD1 3.03Å; D237-H239 IonicContact OD1-NE2 2.77Å; D237-N251 WeakPolarHBondContact CA-OD1 3.39Å; D237-N251 PolarHBondContact N-OD1 3.08Å
238A95.8Very high95.3Very high3 Ų330.6 Ų30.63%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-109.3149.4-17400000111.3G111 F250 N251G111-A238 CarbonylContact O-C 3.48Å; G111-A238 VanDerWaalsContact O-CA 3.27Å; G111-A238 WeakPolarHBondContact O-CA 3.22Å; A238-F250 WeakPolarHBondContact CB-O 3.4Å; A238-F250 CarbonylContact O-C 3.6Å; A238-F250 WeakPolarHBondContact O-CA 3.35Å; A238-F250 PolarHBondContact O-N 3.3Å; A238-N251 PolarHBondContact N-OD1 2.77Å; A238-N251 PolarHBondContact O-OD1 2.7Å
239H97Very high95.1Very high32 Ų3230.2 Ų30.215%0.14815%0.149CC..EExtended strand (participates in β ladder)trans-135.2148.5-174-75.7-108.2000111.7I110 G111 S113 D237 V241 S247 Y248I110-H239 WeakPolarHBondContact CA-O 3.42Å; G111-H239 PolarHBondContact N-O 2.66Å; G111-H239 VanDerWaalsContact N-O 3.1Å; G111-H239 PolarHBondContact O-N 3.49Å; S113-H239 PolarHBondContact OG-CD2 3.09Å; S113-H239 PolarHBondContact OG-NE2 2.85Å; D237-H239 IonicContact OD1-NE2 2.77Å; H239-V241 HydrophobicContact CB-CG2 4.28Å; H239-S247 PolarHBondContact ND1-OG 3.05Å; H239-Y248 CarbonylContact C-O 3.5Å; H239-Y248 WeakPolarHBondContact CA-O 3.39Å
240L97.9Very high95Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-104.8119.2164.5-178.2151.8000107.8V31 L33 L100 V108 F109 I110 I242 Y248 F250 A256V31-L240 HydrophobicContact CG1-CD1 3.69Å; V31-L240 HydrophobicContact CG1-CD2 4.22Å; L33-L240 HydrophobicContact CD2-CD1 4.11Å; L100-L240 HydrophobicContact CD1-CD2 4.17Å; V108-L240 HydrophobicContact CG1-CD1 3.94Å; V108-L240 HydrophobicContact CG1-CD2 3.76Å; V108-L240 HydrophobicContact CG1-CG 3.59Å; F109-L240 CarbonylContact O-C 3.59Å; F109-L240 WeakPolarHBondContact O-CA 3.18Å; I110-L240 HydrophobicContact CD1-CD1 3.78Å; I110-L240 HydrophobicContact CD1-CG 4.34Å; I110-L240 HydrophobicContact CG1-CB 4.17Å; I110-L240 HydrophobicContact CG1-CD1 3.89Å; I110-L240 HydrophobicContact CG1-CG 3.89Å; L240-I242 HydrophobicContact CD2-CD1 4.3Å; L240-I242 HydrophobicContact CD2-CG1 3.83Å; L240-Y248 HydrophobicContact CD2-CD2 4.32Å; L240-Y248 PolarHBondContact N-O 2.76Å; L240-Y248 PolarHBondContact O-N 2.84Å; L240-F250 HydrophobicContact CB-CB 4.17Å; L240-F250 HydrophobicContact CB-CD2 4.4Å; L240-F250 HydrophobicContact CB-CG 4.27Å; L240-A256 HydrophobicContact CD1-CB 3.67Å
241V96.7Very high94.8Very high17 Ų1730.9 Ų30.910%0.10315%0.152CC..EExtended strand (participates in β ladder)trans-115.2124.7-175-173.90000109.9L45 V108 F109 H239 M246L45-V241 HydrophobicContact CD1-CG1 3.56Å; L45-V241 HydrophobicContact CD1-CG2 4.27Å; V108-V241 CarbonylContact C-O 3.53Å; V108-V241 VanDerWaalsContact CA-O 3.3Å; V108-V241 WeakPolarHBondContact CA-O 3.5Å; F109-V241 HydrophobicContact CB-CB 4.39Å; F109-V241 HydrophobicContact CD1-CG2 4.38Å; F109-V241 PolarHBondContact N-O 3.32Å; F109-V241 PolarHBondContact O-N 3.27Å; H239-V241 HydrophobicContact CB-CG2 4.28Å; V241-M246 CarbonylContact C-O 3.58Å; V241-M246 VanDerWaalsContact CA-O 3.28Å; V241-M246 WeakPolarHBondContact CA-O 3.33Å
242I97.1Very high94.6Very high1 Ų136.3 Ų36.31%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-97.7122.1178.2-64.8180000109.2V31 L100 Y102 A104 V108 L240 G244 G245 M246 Y248V31-I242 HydrophobicContact CG2-CD1 4.48Å; L100-I242 HydrophobicContact CD1-CD1 4.06Å; Y102-I242 WeakPolarHBondContact O-CD1 3.44Å; A104-I242 HydrophobicContact CB-CG2 3.79Å; V108-I242 HydrophobicContact CG2-CG1 4.47Å; L240-I242 HydrophobicContact CD2-CD1 4.3Å; L240-I242 HydrophobicContact CD2-CG1 3.83Å; I242-G244 PolarHBondContact O-N 3.32Å; I242-G245 PolarHBondContact O-N 3.4Å; I242-M246 HydrophobicContact CB-CB 4.43Å; I242-M246 PolarHBondContact N-O 3.28Å; I242-M246 PolarHBondContact O-N 2.88Å; I242-Y248 HydrophobicContact CD1-CD2 4.49Å; I242-Y248 HydrophobicContact CD1-CE2 3.96Å
243D94.6Very high94.3Very high23 Ų2334.3 Ų34.312%0.12318%0.176CC..THydrogen-bonded Turntrans51.827.1176.8-67-32.2000114.5W57 A104 L105 N106 D107 G245W57-D243 WeakPolarHBondContact CH2-O 3.37Å; A104-D243 WeakPolarHBondContact CA-OD2 3.29Å; L105-D243 PolarHBondContact N-OD1 2.81Å; L105-D243 PolarHBondContact N-OD2 3.32Å; N106-D243 WeakPolarHBondContact CA-OD1 3.39Å; N106-D243 WeakPolarHBondContact CB-OD1 3.36Å; N106-D243 PolarHBondContact N-OD1 3.4Å; D107-D243 PolarHBondContact N-OD1 3.07Å; D107-D243 PolarHBondContact O-N 2.82Å; D243-G245 PolarHBondContact O-N 2.9Å
244G89.9Confident94.2Very high37 Ų3734.1 Ų34.138%0.38118%0.175SC..THydrogen-bonded Turntrans69.47.1-175.100000114.9I242I242-G244 PolarHBondContact O-N 3.32Å
245G88.8Confident94.3Very high0 Ų031.6 Ų31.60%017%0.168CC..THydrogen-bonded Turntrans-108.8-64.6-17600000114.3L45 I242 D243L45-G245 WeakPolarHBondContact CB-O 3.3Å; L45-G245 WeakPolarHBondContact CG-O 3.21Å; L45-G245 PolarHBondContact N-O 2.94Å; I242-G245 PolarHBondContact O-N 3.4Å; D243-G245 PolarHBondContact O-N 2.9Å
246M92.3Very high94.7Very high1 Ų131.6 Ų31.61%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-90.5121-175-62.5-60-46.700110.9P42 E44 Y64 Y102 V241 I242 Y248P42-M246 HydrophobicContact CB-CE 3.56Å; P42-M246 HydrophobicContact CG-CE 3.53Å; E44-M246 HydrophobicContact CB-SD 4.44Å; E44-M246 HydrophobicContact CG-CE 3.78Å; E44-M246 HydrophobicContact CG-SD 3.73Å; Y64-M246 HydrophobicContact CD1-CG 4.13Å; Y64-M246 HydrophobicContact CD1-SD 3.8Å; Y64-M246 HydrophobicContact CE1-CG 3.36Å; Y64-M246 HydrophobicContact CE1-SD 3.58Å; Y64-M246 VanDerWaalsContact CE1-SD 3.58Å; Y102-M246 HydrophobicContact CD2-CB 4.09Å; Y102-M246 HydrophobicContact CD2-CE 4.37Å; Y102-M246 HydrophobicContact CD2-CG 3.58Å; Y102-M246 HydrophobicContact CD2-SD 4.4Å; Y102-M246 HydrophobicContact CE2-CB 4.47Å; Y102-M246 HydrophobicContact CE2-CE 3.69Å; Y102-M246 HydrophobicContact CE2-CG 3.73Å; Y102-M246 HydrophobicContact CE2-SD 3.93Å; Y102-M246 HydrophobicContact CG-CG 4.07Å; V241-M246 CarbonylContact C-O 3.58Å; V241-M246 VanDerWaalsContact CA-O 3.28Å; V241-M246 WeakPolarHBondContact CA-O 3.33Å; I242-M246 HydrophobicContact CB-CB 4.43Å; I242-M246 PolarHBondContact N-O 3.28Å; I242-M246 PolarHBondContact O-N 2.88Å; M246-Y248 HydrophobicContact CB-CE2 3.94Å
247S95Very high95.1Very high7 Ų725.8 Ų25.85%0.04915%0.147CC..EExtended strand (participates in β ladder)trans-107.7123-179.9-174.20000111.6P42 V43 H239P42-S247 CarbonylContact C-O 3.54Å; P42-S247 WeakPolarHBondContact CA-O 3.36Å; P42-S247 WeakPolarHBondContact CB-O 3.33Å; V43-S247 PolarHBondContact N-O 3.34Å; V43-S247 WeakPolarHBondContact O-CB 3.37Å; V43-S247 PolarHBondContact O-N 3.27Å; H239-S247 PolarHBondContact ND1-OG 3.05Å
248Y96.1Very high95.4Very high2 Ų222.1 Ų22.11%0.00813%0.127CC..EExtended strand (participates in β ladder)trans-109.5134.4177.8-69.1-94.1000110.1L33 P42 L100 Y102 H239 L240 I242 M246 F250L33-Y248 HydrophobicContact CD1-CD1 4.34Å; L33-Y248 HydrophobicContact CD1-CG 4.49Å; P42-Y248 HydrophobicContact CB-CD1 3.79Å; P42-Y248 HydrophobicContact CB-CD2 4.24Å; P42-Y248 HydrophobicContact CB-CE1 3.55Å; P42-Y248 HydrophobicContact CB-CE2 4.02Å; P42-Y248 HydrophobicContact CB-CG 4.13Å; P42-Y248 HydrophobicContact CG-CD1 4.45Å; P42-Y248 HydrophobicContact CG-CE1 3.79Å; L100-Y248 HydrophobicContact CD1-CD1 4.1Å; L100-Y248 HydrophobicContact CD1-CD2 3.83Å; L100-Y248 HydrophobicContact CD1-CE1 4.04Å; L100-Y248 HydrophobicContact CD1-CE2 3.77Å; L100-Y248 HydrophobicContact CD1-CG 3.99Å; L100-Y248 HydrophobicContact CD2-CD1 3.9Å; L100-Y248 HydrophobicContact CD2-CE1 3.54Å; L100-Y248 HydrophobicContact CG-CE1 4.35Å; Y102-Y248 HydrophobicContact CD2-CE2 4.36Å; Y102-Y248 WeakPolarHBondContact CD2-OH 3.47Å; Y102-Y248 WeakPolarHBondContact CE2-OH 3.31Å; H239-Y248 CarbonylContact C-O 3.5Å; H239-Y248 WeakPolarHBondContact CA-O 3.39Å; L240-Y248 HydrophobicContact CD2-CD2 4.32Å; L240-Y248 PolarHBondContact N-O 2.76Å; L240-Y248 PolarHBondContact O-N 2.84Å; I242-Y248 HydrophobicContact CD1-CD2 4.49Å; I242-Y248 HydrophobicContact CD1-CE2 3.96Å; M246-Y248 HydrophobicContact CB-CE2 3.94Å; Y248-F250 PolarHBondContact O-N 2.85Å
249I95Very high95.5Very high52 Ų5223.6 Ų23.627%0.26713%0.134SC..EExtended strand (participates in β ladder)trans-59.2129.1172.6-61.8176.4000109.3N37 A40 N251N37-I249 HydrophobicContact CB-CB 4.46Å; N37-I249 HydrophobicContact CB-CG2 3.98Å; A40-I249 HydrophobicContact CB-CB 4.29Å; A40-I249 HydrophobicContact CB-CD1 4.13Å; A40-I249 HydrophobicContact CB-CG1 4.48Å; I249-N251 HydrophobicContact CG2-CB 4.25Å
250F96.2Very high95.6Very high1 Ų123 Ų230%0.00413%0.131CC..  trans-134.847.4-175.7-164.2-111.2000111.3L33 I110 V231 S233 A238 L240 Y248 T254 A256L33-F250 HydrophobicContact CD2-CD2 4.16Å; L33-F250 HydrophobicContact CD2-CE2 4.13Å; I110-F250 HydrophobicContact CG2-CD1 3.46Å; I110-F250 VanDerWaalsContact CG2-CD1 3.46Å; I110-F250 HydrophobicContact CG2-CE1 3.46Å; I110-F250 VanDerWaalsContact CG2-CE1 3.46Å; I110-F250 HydrophobicContact CG2-CG 4.5Å; V231-F250 HydrophobicContact CB-CZ 4.24Å; V231-F250 HydrophobicContact CG1-CE1 3.99Å; V231-F250 HydrophobicContact CG1-CZ 4.2Å; V231-F250 WeakPolarHBondContact O-CZ 3.39Å; S233-F250 WeakPolarHBondContact CB-O 3.49Å; S233-F250 PolarHBondContact OG-O 2.76Å; A238-F250 WeakPolarHBondContact CB-O 3.4Å; A238-F250 CarbonylContact O-C 3.6Å; A238-F250 WeakPolarHBondContact O-CA 3.35Å; A238-F250 PolarHBondContact O-N 3.3Å; L240-F250 HydrophobicContact CB-CB 4.17Å; L240-F250 HydrophobicContact CB-CD2 4.4Å; L240-F250 HydrophobicContact CB-CG 4.27Å; Y248-F250 PolarHBondContact O-N 2.85Å; F250-T254 HydrophobicContact CD2-CG2 3.51Å; F250-T254 HydrophobicContact CE2-CG2 3.7Å; F250-A256 HydrophobicContact CD2-CB 4.41Å; F250-A256 HydrophobicContact CE2-CB 3.47Å; F250-A256 VanDerWaalsContact CE2-CB 3.47Å; F250-A256 HydrophobicContact CZ-CB 3.71Å
251N94.8Very high95.6Very high38 Ų3824.9 Ų24.920%0.20314%0.141CC..  trans-75.9172.1-179.5-68.9-16.7000112.9S233 Y236 D237 A238 I249 G253 T254S233-N251 WeakPolarHBondContact CB-O 3.49Å; Y236-N251 VanDerWaalsContact C-OD1 3.28Å; Y236-N251 PolarHBondContact O-ND2 2.78Å; Y236-N251 VanDerWaalsContact O-ND2 3.17Å; Y236-N251 PolarHBondContact O-OD1 3.36Å; Y236-N251 VanDerWaalsContact O-OD1 3.04Å; D237-N251 WeakPolarHBondContact CA-OD1 3.39Å; D237-N251 PolarHBondContact N-OD1 3.08Å; A238-N251 PolarHBondContact N-OD1 2.77Å; A238-N251 PolarHBondContact O-OD1 2.7Å; I249-N251 HydrophobicContact CG2-CB 4.25Å; N251-G253 PolarHBondContact O-N 2.97Å; N251-T254 WeakPolarHBondContact O-CB 3.44Å; N251-T254 PolarHBondContact O-N 3.26Å; N251-T254 PolarHBondContact O-OG1 3.35Å
252H94.2Very high95.6Very high114 Ų11428.1 Ų28.153%0.52817%0.17SC..THydrogen-bonded Turntrans-40.3127.4-176.5-173.790000113.4S233 G235 T254S233-H252 WeakPolarHBondContact O-CA 2.97Å; G235-H252 WeakPolarHBondContact O-CA 3.44Å; G235-H252 WeakPolarHBondContact O-CB 3.38Å; G235-H252 PolarHBondContact O-N 3.5Å; H252-T254 VanDerWaalsContact C-N 3.3Å
253G91.6Very high95.5Very high29 Ų2935.5 Ų35.530%0.29920%0.204SC..THydrogen-bonded Turntrans85.8-6.4179.200000114.7S233 N251S233-G253 PolarHBondContact O-N 2.73Å; N251-G253 PolarHBondContact O-N 2.97Å
254T95.6Very high95.7Very high0 Ų035.1 Ų35.10%020%0.202CC..  trans-75.2139.6168.5-47.60000109.8S34 N37 S233 F250 N251 H252S34-T254 WeakPolarHBondContact O-CA 3.3Å; N37-T254 WeakPolarHBondContact CB-OG1 3.24Å; S233-T254 PolarHBondContact N-O 3.13Å; F250-T254 HydrophobicContact CD2-CG2 3.51Å; F250-T254 HydrophobicContact CE2-CG2 3.7Å; N251-T254 WeakPolarHBondContact O-CB 3.44Å; N251-T254 PolarHBondContact O-N 3.26Å; N251-T254 PolarHBondContact O-OG1 3.35Å; H252-T254 VanDerWaalsContact C-N 3.3Å
255V98Very high96.1Very high32 Ų3234 Ų3419%0.19419%0.189CC..EExtended strand (participates in β ladder)trans-119.1135.1176.9-177.90000109L33 S34 V230 V231 Q232L33-V255 CarbonylContact C-O 3.59Å; L33-V255 VanDerWaalsContact CA-O 3.3Å; L33-V255 WeakPolarHBondContact CA-O 3.26Å; S34-V255 PolarHBondContact N-O 3.15Å; S34-V255 PolarHBondContact O-N 3.12Å; V230-V255 HydrophobicContact CG1-CG1 3.46Å; V230-V255 VanDerWaalsContact CG1-CG1 3.46Å; V231-V255 CarbonylContact O-C 3.5Å; V231-V255 VanDerWaalsContact O-CA 3.27Å; V231-V255 WeakPolarHBondContact O-CA 3.27Å; Q232-V255 HydrophobicContact CB-CG2 4.09Å; Q232-V255 HydrophobicContact CG-CG2 3.94Å
256A98.4Very high96.5Very high0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-115.9127.1172.700000109.4V31 T32 L33 I110 V230 V231 L240 F250 L258V31-A256 HydrophobicContact CG1-CB 4.49Å; T32-A256 CarbonylContact O-C 3.52Å; T32-A256 WeakPolarHBondContact O-CA 3.42Å; L33-A256 HydrophobicContact CD2-CB 3.66Å; I110-A256 HydrophobicContact CD1-CB 4.41Å; V230-A256 CarbonylContact C-O 3.54Å; V230-A256 WeakPolarHBondContact CA-O 3.27Å; V231-A256 PolarHBondContact N-O 3.49Å; V231-A256 PolarHBondContact O-N 3.48Å; L240-A256 HydrophobicContact CD1-CB 3.67Å; F250-A256 HydrophobicContact CD2-CB 4.41Å; F250-A256 HydrophobicContact CE2-CB 3.47Å; F250-A256 VanDerWaalsContact CE2-CB 3.47Å; F250-A256 HydrophobicContact CZ-CB 3.71Å; A256-L258 HydrophobicContact CB-CD1 3.9Å
257K98.6Very high96.7Very high75 Ų7543 Ų4333%0.32623%0.227SC..EExtended strand (participates in β ladder)trans-101.7126.7166.6-176.5-169.8177.8-149.50108.7V31 T32 M229 V230 E259V31-K257 WeakPolarHBondContact CA-O 3.34Å; T32-K257 PolarHBondContact N-O 3.33Å; T32-K257 PolarHBondContact O-N 2.83Å; M229-K257 CarbonylContact O-C 3.51Å; M229-K257 WeakPolarHBondContact O-CA 3.32Å; V230-K257 HydrophobicContact CG2-CG 4.34Å; K257-E259 WeakPolarHBondContact CE-OE1 3.37Å; K257-E259 VanDerWaalsContact CE-OE2 3.29Å; K257-E259 WeakPolarHBondContact CE-OE2 3.27Å; K257-E259 IonicContact NZ-OE1 3.3Å; K257-E259 PolarHBondContact NZ-OE1 3.22Å; K257-E259 IonicContact NZ-OE2 2.7Å; K257-E259 PolarHBondContact NZ-OE2 2.84Å
258L98.9Very high96.7Very high0 Ų044.1 Ų44.10%023%0.234CC..EExtended strand (participates in β ladder)trans-115.3130.7177.9-66.377.4000108.9I29 R30 V31 V108 I110 V140 L204 K228 M229 V231 A256I29-L258 HydrophobicContact CG2-CB 4Å; I29-L258 HydrophobicContact CG2-CD2 4.25Å; I29-L258 HydrophobicContact CG2-CG 4.3Å; R30-L258 WeakPolarHBondContact O-CA 3.49Å; V31-L258 HydrophobicContact CG2-CG 4.35Å; V108-L258 HydrophobicContact CB-CD2 3.95Å; V108-L258 HydrophobicContact CG1-CD2 4.05Å; V108-L258 HydrophobicContact CG2-CD2 4.22Å; I110-L258 HydrophobicContact CD1-CD1 4.23Å; V140-L258 HydrophobicContact CB-CD2 3.88Å; V140-L258 HydrophobicContact CG1-CD2 4.08Å; V140-L258 HydrophobicContact CG2-CD2 3.93Å; L204-L258 HydrophobicContact CD1-CB 4.09Å; L204-L258 WeakPolarHBondContact CD1-O 3.46Å; K228-L258 VanDerWaalsContact CA-O 3.3Å; K228-L258 WeakPolarHBondContact CA-O 3.47Å; M229-L258 HydrophobicContact CB-CB 4.46Å; M229-L258 PolarHBondContact N-O 3.29Å; M229-L258 PolarHBondContact O-N 3.35Å; V231-L258 HydrophobicContact CG2-CD1 4.41Å; A256-L258 HydrophobicContact CB-CD1 3.9Å
259E98.7Very high96.6Very high35 Ų3546.5 Ų46.516%0.16425%0.248CC..EExtended strand (participates in β ladder)trans-153.6160.1178.163.7-164.2145.500111.5R30 K257R30-E259 HydrophobicContact CB-CG 4.28Å; R30-E259 PolarHBondContact N-O 2.84Å; R30-E259 PolarHBondContact O-N 3.07Å; R30-E259 VanDerWaalsContact O-N 3.08Å; K257-E259 WeakPolarHBondContact CE-OE1 3.37Å; K257-E259 VanDerWaalsContact CE-OE2 3.29Å; K257-E259 WeakPolarHBondContact CE-OE2 3.27Å; K257-E259 IonicContact NZ-OE1 3.3Å; K257-E259 PolarHBondContact NZ-OE1 3.22Å; K257-E259 IonicContact NZ-OE2 2.7Å; K257-E259 PolarHBondContact NZ-OE2 2.84Å
260I98.7Very high96.4Very high20 Ų2047.8 Ų47.810%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-111.7131.5172.3-70.5170.2000108.2Q27 I29 T142 L204Q27-I260 HydrophobicContact CB-CD1 4.11Å; Q27-I260 HydrophobicContact CB-CG2 3.83Å; Q27-I260 HydrophobicContact CG-CG2 4.07Å; Q27-I260 VanDerWaalsContact OE1-CG2 3.24Å; I29-I260 HydrophobicContact CG1-CG1 4.49Å; T142-I260 HydrophobicContact CG2-CD1 4.47Å; L204-I260 HydrophobicContact CD2-CD1 3.81Å; L204-I260 HydrophobicContact CD2-CG1 3.77Å; L204-I260 HydrophobicContact CG-CD1 4.35Å; L204-I260 HydrophobicContact CG-CG1 4.45Å
261N98Very high96.3Very high39 Ų3950.6 Ų50.621%0.20927%0.267CS..  trans-121.7142174-54.6-69.9000110.5R30 Q263 D264R30-N261 WeakPolarHBondContact CD-ND2 3.33Å; R30-N261 PolarHBondContact NE-ND2 3.4Å; R30-N261 VanDerWaalsContact NE-ND2 3.17Å; R30-N261 PolarHBondContact NH1-ND2 3Å; N261-Q263 HydrophobicContact CB-CG 4.12Å; N261-Q263 PolarHBondContact O-N 2.7Å; N261-D264 WeakPolarHBondContact CB-OD2 3.47Å; N261-D264 PolarHBondContact ND2-OD2 3.44Å; N261-D264 VanDerWaalsContact ND2-OD2 3.17Å; N261-D264 WeakPolarHBondContact O-CB 3.32Å; N261-D264 PolarHBondContact O-N 3.26Å
262A96Very high95.8Very high84 Ų8457.9 Ų57.969%0.69429%0.292SS*.G310 helixtrans-57.7-36.4-178.600000113.3D264 A265A262-D264 PolarHBondContact O-N 3.47Å; A262-A265 WeakPolarHBondContact O-CB 3.45Å; A262-A265 PolarHBondContact O-N 2.96Å
263Q96.9Very high95.8Very high156 Ų15655.1 Ų55.173%0.72928%0.28SS*.G310 helixtrans-66.7-19.6177.270-161.955.200114N261N261-Q263 HydrophobicContact CB-CG 4.12Å; N261-Q263 PolarHBondContact O-N 2.7Å
264D97.7Very high96.1Very high15 Ų1556.5 Ų56.58%0.0828%0.279CS..G310 helixtrans-88.4-7.1178.5-64.2-27.7000111.4R28 R30 L103 N261 A262R28-D264 PolarHBondContact NE-O 3.36Å; R28-D264 PolarHBondContact NH2-O 3.25Å; R30-D264 IonicContact CZ-OD1 3.42Å; R30-D264 IonicContact CZ-OD2 3.83Å; R30-D264 IonicContact NE-OD1 3.51Å; R30-D264 IonicContact NE-OD2 2.87Å; R30-D264 PolarHBondContact NE-OD2 3.08Å; R30-D264 IonicContact NH2-OD1 3.03Å; R30-D264 PolarHBondContact NH2-OD1 3.15Å; R30-D264 IonicContact NH2-OD2 3.26Å; R30-D264 PolarHBondContact NH2-OD2 3.48Å; L103-D264 HydrophobicContact CD1-CB 3.86Å; N261-D264 WeakPolarHBondContact CB-OD2 3.47Å; N261-D264 PolarHBondContact ND2-OD2 3.44Å; N261-D264 VanDerWaalsContact ND2-OD2 3.17Å; N261-D264 WeakPolarHBondContact O-CB 3.32Å; N261-D264 PolarHBondContact O-N 3.26Å; A262-D264 PolarHBondContact O-N 3.47Å
265A97.9Very high96.1Very high13 Ų1359.6 Ų59.611%0.10729%0.294CS..  trans-63.8138.5-177.800000112.3W25 R26 A262W25-A265 HydrophobicContact CB-CB 4.28Å; W25-A265 HydrophobicContact CE3-CB 3.92Å; R26-A265 CarbonylContact O-C 3.55Å; R26-A265 WeakPolarHBondContact O-CA 2.96Å; A262-A265 WeakPolarHBondContact O-CB 3.45Å; A262-A265 PolarHBondContact O-N 2.96Å
266L97.6Very high96Very high53 Ų5361.2 Ų61.228%0.27730%0.3SS..EExtended strand (participates in β ladder)trans-85.9117.1174179.166.5000109.4R26 R28 L105 T268R26-L266 HydrophobicContact CB-CB 4.36Å; R26-L266 PolarHBondContact N-O 3.26Å; R26-L266 PolarHBondContact O-N 3.3Å; R28-L266 HydrophobicContact CG-CB 4.5Å; L105-L266 HydrophobicContact CD1-CD2 4.35Å; L105-L266 HydrophobicContact CD2-CD2 4.44Å; L266-T268 HydrophobicContact CD2-CG2 4.03Å; L266-T268 HydrophobicContact CG-CG2 3.93Å; L266-T268 PolarHBondContact O-N 3.03Å
267R95.8Very high95.8Very high137 Ų13765.1 Ų65.152%0.51732%0.319SS..EExtended strand (participates in β ladder)trans-78.7115.6176.6-162.117594.2-170.32.9110.2W23 W25W23-R267 HydrophobicContact CD2-CG 4.07Å; W23-R267 HydrophobicContact CE3-CG 3.45Å; W23-R267 VanDerWaalsContact CE3-CG 3.45Å; W23-R267 VanDerWaalsContact CE3-NE 3.29Å; W23-R267 HydrophobicContact CZ3-CG 3.92Å; W25-R267 HydrophobicContact CD2-CB 4.34Å; W25-R267 HydrophobicContact CD2-CG 4.11Å; W25-R267 HydrophobicContact CE3-CB 3.86Å; W25-R267 HydrophobicContact CE3-CG 4.11Å; W25-R267 HydrophobicContact CH2-CB 3.94Å; W25-R267 VanDerWaalsContact CH2-CD 3.41Å; W25-R267 HydrophobicContact CH2-CG 3.81Å; W25-R267 HydrophobicContact CZ2-CB 4.37Å; W25-R267 HydrophobicContact CZ2-CG 3.75Å; W25-R267 HydrophobicContact CZ3-CB 3.66Å; W25-R267 HydrophobicContact CZ3-CG 3.98Å
268T95.4Very high95.6Very high32 Ų3264.4 Ų64.420%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-121.1160.717961.60000111W23 L24 R26 L266W23-T268 WeakPolarHBondContact CA-O 3.18Å; L24-T268 PolarHBondContact N-O 3.13Å; L24-T268 PolarHBondContact O-N 2.67Å; L24-T268 PolarHBondContact O-OG1 3.07Å; R26-T268 HydrophobicContact CG-CG2 4.25Å; L266-T268 HydrophobicContact CD2-CG2 4.03Å; L266-T268 HydrophobicContact CG-CG2 3.93Å; L266-T268 PolarHBondContact O-N 3.03Å
269V93.5Very high95.4Very high51 Ų5169 Ų6931%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-103.3142.4174.3-63.30000110.4L16 F21 T22 W23 F271L16-V269 HydrophobicContact CD1-CG1 4.27Å; F21-V269 HydrophobicContact CB-CB 4.29Å; F21-V269 HydrophobicContact CD2-CB 3.94Å; F21-V269 HydrophobicContact CD2-CG1 3.56Å; F21-V269 HydrophobicContact CE2-CG1 3.78Å; F21-V269 HydrophobicContact CG-CB 4.25Å; F21-V269 HydrophobicContact CG-CG1 4.16Å; T22-V269 WeakPolarHBondContact O-CA 3.25Å; W23-V269 HydrophobicContact CE3-CG1 3.74Å; W23-V269 HydrophobicContact CH2-CG1 3.86Å; W23-V269 HydrophobicContact CZ3-CG1 3.31Å; V269-F271 HydrophobicContact CG2-CE1 4.26Å; V269-F271 HydrophobicContact CG2-CZ 4.1Å
270I92.4Very high95.1Very high79 Ų7971.6 Ų71.641%0.40536%0.355SS..EExtended strand (participates in β ladder)trans-117.4117.1164.5-55.8179.2000106.8F21 T22 L24F21-I270 CarbonylContact C-O 3.48Å; F21-I270 WeakPolarHBondContact CA-O 3.48Å; F21-I270 VanDerWaalsContact CB-O 3.3Å; F21-I270 WeakPolarHBondContact CB-O 3.33Å; T22-I270 PolarHBondContact N-O 3.22Å; T22-I270 PolarHBondContact O-N 3.02Å; L24-I270 HydrophobicContact CB-CD1 3.8Å; L24-I270 HydrophobicContact CB-CG1 3.89Å; L24-I270 HydrophobicContact CD1-CD1 4.04Å; L24-I270 HydrophobicContact CD2-CD1 3.98Å; L24-I270 HydrophobicContact CD2-CG1 4.32Å; L24-I270 HydrophobicContact CG-CD1 4.14Å
271F92.5Very high94.8Very high61 Ų6175.9 Ų75.927%0.26838%0.376SS..EExtended strand (participates in β ladder)trans-73.3142.3174.7-53.9-67.3000110.7A12 R15 L16 D20 F21 V269A12-F271 HydrophobicContact CB-CE2 3.61Å; A12-F271 HydrophobicContact CB-CZ 3.76Å; A12-F271 VanDerWaalsContact O-CE1 3.27Å; A12-F271 WeakPolarHBondContact O-CE1 3.3Å; A12-F271 VanDerWaalsContact O-CZ 3.25Å; A12-F271 WeakPolarHBondContact O-CZ 3.4Å; R15-F271 HydrophobicContact CB-CD1 3.58Å; R15-F271 HydrophobicContact CB-CE1 3.99Å; R15-F271 HydrophobicContact CB-CG 4.22Å; R15-F271 PolarHBondContact NH2-O 3.07Å; L16-F271 HydrophobicContact CB-CE1 4.05Å; D20-F271 WeakPolarHBondContact O-CA 3.36Å; F21-F271 HydrophobicContact CB-CD1 3.9Å; F21-F271 HydrophobicContact CB-CE1 4.48Å; V269-F271 HydrophobicContact CG2-CE1 4.26Å; V269-F271 HydrophobicContact CG2-CZ 4.1Å
272R84.5Confident94.6Very high191 Ų19179.3 Ų79.372%0.72139%0.391SS*.  trans-83.70-175.4-59.5-172.3-175.992.44.5114.6R15 G19 D20 F21R15-R272 VanDerWaalsContact NH2-N 3.13Å; R15-R272 PolarHBondContact NH2-O 3.42Å; G19-R272 PolarHBondContact O-NH1 3.42Å; D20-R272 PolarHBondContact O-N 3.42Å; D20-R272 WeakPolarHBondContact OD1-CB 3.1Å; D20-R272 IonicContact OD1-NH1 3.83Å; F21-R272 VanDerWaalsContact O-CZ 3.29Å; F21-R272 PolarHBondContact O-NH1 3.31Å; F21-R272 PolarHBondContact O-NH2 2.74Å

Retrieved 272 of 272 residues in 543.1 ms (Link to these results)

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