A0A077ZND1_TRITR Loading...

Fukutin

AlphaFold DB , UniProt , Accession A0A077ZND1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M56.9Low69.3Low128 Ų12893.1 Ų93.163%0.63143%0.425SS*.  0-38.50-71.7-175.1-99.300112.4K3 R4 S5 G40M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.07Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-R4 WeakPolarHBondContact O-CA 3.36Å; M1-R4 WeakPolarHBondContact O-CB 3.5Å; M1-R4 PolarHBondContact O-N 2.89Å; M1-S5 PolarHBondContact O-N 3.23Å; M1-G40 WeakPolarHBondContact SD-CA 3.47Å
2F63.9Low70.8Confident73 Ų7388.1 Ų88.132%0.3240%0.404SS..Hα-helixtrans-38.4-48.4164.2-66.6-95.9000114.8R4 S5 L6 I38 F130 T132 Y140F2-R4 VanDerWaalsContact C-N 3.28Å; F2-R4 PolarHBondContact O-N 3.47Å; F2-S5 PolarHBondContact O-N 3.17Å; F2-S5 PolarHBondContact O-OG 2.76Å; F2-L6 WeakPolarHBondContact O-CD1 3.47Å; F2-L6 PolarHBondContact O-N 3Å; F2-I38 HydrophobicContact CD1-CG2 4.18Å; F2-I38 HydrophobicContact CE1-CG2 3.52Å; F2-I38 HydrophobicContact CE2-CG2 4.3Å; F2-I38 HydrophobicContact CZ-CG2 3.58Å; F2-F130 HydrophobicContact CB-CE1 4.43Å; F2-F130 HydrophobicContact CB-CE2 4.36Å; F2-F130 HydrophobicContact CB-CZ 3.85Å; F2-F130 AromaticContact CD1-CD2 3.53Å; F2-F130 HydrophobicContact CD1-CD2 3.53Å; F2-F130 HydrophobicContact CD1-CE1 4.14Å; F2-F130 AromaticContact CD1-CE2 3.04Å; F2-F130 HydrophobicContact CD1-CE2 3.04Å; F2-F130 HydrophobicContact CD1-CG 4.25Å; F2-F130 AromaticContact CD1-CZ 3.39Å; F2-F130 HydrophobicContact CD1-CZ 3.39Å; F2-F130 AromaticContact CE1-CD2 3.66Å; F2-F130 HydrophobicContact CE1-CD2 3.66Å; F2-F130 AromaticContact CE1-CE2 3.49Å; F2-F130 HydrophobicContact CE1-CE2 3.49Å; F2-F130 VanDerWaalsContact CE1-CE2 3.49Å; F2-F130 HydrophobicContact CE1-CZ 4.29Å; F2-F130 HydrophobicContact CG-CE2 4.07Å; F2-F130 HydrophobicContact CG-CZ 4.07Å; F2-T132 HydrophobicContact CB-CG2 3.95Å; F2-Y140 HydrophobicContact CE1-CE1 4.27Å
3K61.8Low72.3Confident157 Ų15781.3 Ų81.368%0.68337%0.373SS*.Hα-helixtrans-62-27176.1-67.7-172.5179-176.90114.9M1M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.07Å; M1-K3 VanDerWaalsContact O-N 3.14Å
4R63Low73.5Confident182 Ų18281 Ų8169%0.68737%0.372SS*.Hα-helixtrans-78.8-38.8179.3-73.3-174.8178.3176-1.3111.8M1 F2M1-R4 WeakPolarHBondContact O-CA 3.36Å; M1-R4 WeakPolarHBondContact O-CB 3.5Å; M1-R4 PolarHBondContact O-N 2.89Å; F2-R4 VanDerWaalsContact C-N 3.28Å; F2-R4 PolarHBondContact O-N 3.47Å
5S63.2Low74.5Confident1 Ų179.3 Ų79.31%0.00737%0.367CS..Hα-helixtrans-64.6-42.3176610000111.1M1 F2 R7 K8 T9 C37 F130M1-S5 PolarHBondContact O-N 3.23Å; F2-S5 PolarHBondContact O-N 3.17Å; F2-S5 PolarHBondContact O-OG 2.76Å; S5-R7 PolarHBondContact O-N 3.22Å; S5-K8 CarbonylContact O-C 3.55Å; S5-K8 WeakPolarHBondContact O-CA 3.47Å; S5-K8 WeakPolarHBondContact O-CB 2.87Å; S5-K8 PolarHBondContact O-N 3.4Å; S5-T9 PolarHBondContact O-N 2.91Å; S5-T9 PolarHBondContact O-OG1 3.02Å; S5-C37 WeakPolarHBondContact CB-SG 3.39Å; S5-F130 WeakPolarHBondContact OG-CZ 3.29Å
6L62.9Low75.5Confident8 Ų874.4 Ų74.44%0.04234%0.344CS..Hα-helixtrans-52.4-47.7175.6-80.8159.3000114.1F2 K8 T9 F130 T132 L136F2-L6 WeakPolarHBondContact O-CD1 3.47Å; F2-L6 PolarHBondContact O-N 3Å; L6-K8 PolarHBondContact O-N 2.97Å; L6-T9 PolarHBondContact O-N 2.99Å; L6-F130 HydrophobicContact CD1-CE1 4.1Å; L6-F130 HydrophobicContact CD2-CE1 4.14Å; L6-F130 HydrophobicContact CG-CE1 3.87Å; L6-F130 HydrophobicContact CG-CZ 4.49Å; L6-T132 HydrophobicContact CD1-CG2 3.54Å; L6-T132 WeakPolarHBondContact CD1-OG1 3.37Å; L6-T132 HydrophobicContact CG-CG2 4.5Å; L6-L136 HydrophobicContact CD2-CB 3.81Å; L6-L136 HydrophobicContact CD2-CD2 3.93Å; L6-L136 HydrophobicContact CD2-CG 4.36Å
7R68.1Low76.5Confident219 Ų21970.1 Ų70.183%0.82632%0.324SS*.THydrogen-bonded Turntrans-61.3-12.6178.4-71.8-176.8-177.3-174.6-0.6113.3S5S5-R7 PolarHBondContact O-N 3.22Å
8K73.7Confident77.3Confident108 Ų10870.3 Ų70.347%0.4733%0.328SS..THydrogen-bonded Turntrans-108.4-8.5-179.4-60.1-56.1-163.5174.60112.9S5 L6 P10 F48 A49S5-K8 CarbonylContact O-C 3.55Å; S5-K8 WeakPolarHBondContact O-CA 3.47Å; S5-K8 WeakPolarHBondContact O-CB 2.87Å; S5-K8 PolarHBondContact O-N 3.4Å; L6-K8 PolarHBondContact O-N 2.97Å; K8-P10 VanDerWaalsContact O-CD 3.3Å; K8-P10 WeakPolarHBondContact O-CD 3.44Å; K8-F48 HydrophobicContact CB-CD1 4.14Å; K8-F48 HydrophobicContact CB-CE1 4.19Å; K8-A49 HydrophobicContact CB-CB 3.87Å; K8-A49 HydrophobicContact CD-CB 3.62Å; K8-A49 HydrophobicContact CG-CB 3.82Å
9T80.2Confident78Confident9 Ų971.3 Ų71.36%0.05533%0.329CS..SBendtrans-68.1119.1177.4-540000109.4S5 L6 V13 Q14 W34S5-T9 PolarHBondContact O-N 2.91Å; S5-T9 PolarHBondContact O-OG1 3.02Å; L6-T9 PolarHBondContact O-N 2.99Å; T9-V13 HydrophobicContact CG2-CB 3.9Å; T9-V13 HydrophobicContact CG2-CG1 3.81Å; T9-Q14 HydrophobicContact CG2-CG 3.78Å; T9-Q14 PolarHBondContact O-NE2 2.98Å; T9-W34 HydrophobicContact CG2-CH2 4.12Å; T9-W34 HydrophobicContact CG2-CZ2 4.38Å
10P83.5Confident78.7Confident40 Ų4067.8 Ų67.826%0.2631%0.312SS..  trans-57.2143.6176.7-23.834.4000111.5K8 L12 V13 Q14 F92K8-P10 VanDerWaalsContact O-CD 3.3Å; K8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-L12 PolarHBondContact O-N 3.03Å; P10-V13 HydrophobicContact CB-CG2 4.1Å; P10-V13 HydrophobicContact CG-CG2 4.1Å; P10-V13 WeakPolarHBondContact O-CB 3.4Å; P10-V13 PolarHBondContact O-N 3.31Å; P10-Q14 PolarHBondContact O-N 2.81Å; P10-F92 HydrophobicContact CB-CE2 4.43Å; P10-F92 HydrophobicContact CB-CZ 4.49Å; P10-F92 HydrophobicContact CG-CE2 3.84Å; P10-F92 HydrophobicContact CG-CZ 3.86Å
11S85.2Confident79.3Confident99 Ų9968.8 Ų68.869%0.69231%0.313SS*.Hα-helixtrans-55.6-38178.252.90000112.3V13 Q14 D15S11-V13 VanDerWaalsContact C-N 3.28Å; S11-V13 PolarHBondContact O-N 3.12Å; S11-Q14 WeakPolarHBondContact O-CB 3.5Å; S11-Q14 PolarHBondContact O-N 2.95Å; S11-Q14 VanDerWaalsContact O-N 3.15Å; S11-D15 PolarHBondContact O-N 2.92Å
12L87.7Confident80.9Confident33 Ų3366.6 Ų66.617%0.17332%0.316CS..Hα-helixtrans-56.5-40.5173.7174.865.8000112.8P10 F16 W76 V89 F92 I94P10-L12 PolarHBondContact O-N 3.03Å; L12-F16 WeakPolarHBondContact O-CB 3.47Å; L12-F16 PolarHBondContact O-N 3.47Å; L12-W76 HydrophobicContact CD1-CZ2 3.94Å; L12-V89 HydrophobicContact CD1-CB 4.31Å; L12-V89 HydrophobicContact CD1-CG1 4.17Å; L12-V89 HydrophobicContact CD1-CG2 3.88Å; L12-V89 HydrophobicContact CD2-CB 3.56Å; L12-V89 HydrophobicContact CD2-CG1 3.92Å; L12-V89 HydrophobicContact CD2-CG2 3.75Å; L12-V89 HydrophobicContact CG-CG2 4.4Å; L12-F92 HydrophobicContact CD2-CB 4Å; L12-F92 HydrophobicContact CD2-CD1 3.89Å; L12-F92 HydrophobicContact CD2-CG 4.07Å; L12-I94 HydrophobicContact CG-CD1 4.28Å
13V90.2Very high82.2Confident0 Ų066.2 Ų66.20%032%0.317CS..Hα-helixtrans-70.5-36.9179.31760000110.2T9 P10 S11 F16 L17 W34 I54 F56 F92 I94T9-V13 HydrophobicContact CG2-CB 3.9Å; T9-V13 HydrophobicContact CG2-CG1 3.81Å; P10-V13 HydrophobicContact CB-CG2 4.1Å; P10-V13 HydrophobicContact CG-CG2 4.1Å; P10-V13 WeakPolarHBondContact O-CB 3.4Å; P10-V13 PolarHBondContact O-N 3.31Å; S11-V13 VanDerWaalsContact C-N 3.28Å; S11-V13 PolarHBondContact O-N 3.12Å; V13-F16 PolarHBondContact O-N 3.19Å; V13-L17 HydrophobicContact CG1-CD1 4.03Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.42Å; V13-L17 WeakPolarHBondContact O-CG 3.29Å; V13-L17 PolarHBondContact O-N 3.16Å; V13-W34 HydrophobicContact CG1-CH2 4.15Å; V13-W34 HydrophobicContact CG1-CZ3 4.18Å; V13-I54 HydrophobicContact CG2-CG1 4.18Å; V13-F56 HydrophobicContact CG1-CE2 4.26Å; V13-F56 HydrophobicContact CG1-CZ 3.85Å; V13-F92 HydrophobicContact CG2-CE1 3.61Å; V13-F92 HydrophobicContact CG2-CZ 3.76Å; V13-I94 HydrophobicContact CG2-CD1 4.04Å; V13-I94 HydrophobicContact CG2-CG1 4.36Å
14Q88.8Confident83.6Confident77 Ų7761.7 Ų61.736%0.3631%0.314SS..Hα-helixtrans-64-49.9175.3-61.6178.223.700111T9 P10 S11 F16 L17 D18 L136T9-Q14 HydrophobicContact CG2-CG 3.78Å; T9-Q14 PolarHBondContact O-NE2 2.98Å; P10-Q14 PolarHBondContact O-N 2.81Å; S11-Q14 WeakPolarHBondContact O-CB 3.5Å; S11-Q14 PolarHBondContact O-N 2.95Å; S11-Q14 VanDerWaalsContact O-N 3.15Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 3.05Å; Q14-L17 VanDerWaalsContact O-N 3.08Å; Q14-D18 VanDerWaalsContact O-CG 3.27Å; Q14-D18 PolarHBondContact O-N 3.21Å; Q14-L136 HydrophobicContact CG-CD1 4.36Å
15D88.6Confident85Confident56 Ų5653.2 Ų53.230%0.29928%0.283SS..Hα-helixtrans-57.3-41.8176.3176.366.4000111.9S11 R19 W76S11-D15 PolarHBondContact O-N 2.92Å; D15-R19 VanDerWaalsContact CG-NE 3.28Å; D15-R19 WeakPolarHBondContact O-CD 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.24Å; D15-R19 WeakPolarHBondContact O-CG 3.45Å; D15-R19 PolarHBondContact O-N 3.35Å; D15-R19 VanDerWaalsContact O-N 3.12Å; D15-R19 IonicContact OD1-CZ 2.98Å; D15-R19 IonicContact OD1-NE 2.99Å; D15-R19 PolarHBondContact OD1-NE 2.98Å; D15-R19 IonicContact OD1-NH2 3.78Å; D15-R19 PolarHBondContact OD1-NH2 2.92Å; D15-R19 IonicContact OD2-CZ 3.57Å; D15-R19 IonicContact OD2-NE 3.17Å; D15-R19 PolarHBondContact OD2-NE 2.95Å; D15-R19 IonicContact OD2-NH2 3.71Å; D15-W76 WeakPolarHBondContact OD2-CZ2 3.47Å
16F90.6Very high86.4Confident1 Ų155.5 Ų55.50%0.00430%0.298CS..Hα-helixtrans-61.6-46.2174.6-177.7-93.2000112.6L12 V13 Q14 R19 A20 L27 I71 W76 V87 I94 I96L12-F16 WeakPolarHBondContact O-CB 3.47Å; L12-F16 PolarHBondContact O-N 3.47Å; V13-F16 PolarHBondContact O-N 3.19Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.15Å; F16-R19 PolarHBondContact O-N 3.39Å; F16-A20 PolarHBondContact O-N 3.35Å; F16-L27 HydrophobicContact CD1-CD1 4.13Å; F16-L27 HydrophobicContact CE1-CD1 3.59Å; F16-I71 HydrophobicContact CD2-CG2 4.29Å; F16-I71 HydrophobicContact CE2-CG2 3.93Å; F16-W76 HydrophobicContact CB-CH2 4.2Å; F16-W76 HydrophobicContact CD2-CE3 4.5Å; F16-W76 AromaticContact CD2-CH2 3.76Å; F16-W76 HydrophobicContact CD2-CH2 3.76Å; F16-W76 AromaticContact CD2-CZ3 3.59Å; F16-W76 HydrophobicContact CD2-CZ3 3.59Å; F16-W76 HydrophobicContact CE2-CZ3 4.14Å; F16-W76 HydrophobicContact CG-CH2 4.49Å; F16-V87 HydrophobicContact CD2-CG2 4.46Å; F16-V87 HydrophobicContact CE2-CG2 3.83Å; F16-I94 HydrophobicContact CB-CD1 3.79Å; F16-I94 HydrophobicContact CD1-CD1 4.4Å; F16-I94 HydrophobicContact CD1-CG2 3.88Å; F16-I94 HydrophobicContact CD2-CD1 4.47Å; F16-I94 HydrophobicContact CE1-CG2 3.93Å; F16-I94 HydrophobicContact CG-CD1 3.96Å; F16-I94 HydrophobicContact CG-CG2 4.31Å; F16-I94 HydrophobicContact CZ-CG2 4.44Å; F16-I96 HydrophobicContact CE1-CD1 3.75Å; F16-I96 HydrophobicContact CE1-CG1 3.92Å; F16-I96 HydrophobicContact CE2-CD1 4.23Å; F16-I96 HydrophobicContact CZ-CD1 3.32Å; F16-I96 HydrophobicContact CZ-CG1 3.91Å
17L91.8Very high88Confident0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-63.5-42.7179.5-72.9171.4000111.8V13 Q14 R19 A20 W21 L27 W34 F56 L136 V138V13-L17 HydrophobicContact CG1-CD1 4.03Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.42Å; V13-L17 WeakPolarHBondContact O-CG 3.29Å; V13-L17 PolarHBondContact O-N 3.16Å; Q14-L17 PolarHBondContact O-N 3.05Å; Q14-L17 VanDerWaalsContact O-N 3.08Å; L17-R19 PolarHBondContact O-N 3.19Å; L17-A20 PolarHBondContact O-N 3.32Å; L17-W21 VanDerWaalsContact O-CB 3.31Å; L17-W21 WeakPolarHBondContact O-CB 3.49Å; L17-W21 PolarHBondContact O-N 3.33Å; L17-L27 HydrophobicContact CD2-CB 4.15Å; L17-L27 HydrophobicContact CD2-CD1 3.72Å; L17-W34 HydrophobicContact CD1-CH2 4.3Å; L17-F56 HydrophobicContact CD1-CZ 4.24Å; L17-F56 HydrophobicContact CD2-CD1 4.48Å; L17-F56 HydrophobicContact CD2-CE1 3.86Å; L17-F56 HydrophobicContact CD2-CE2 4.36Å; L17-F56 HydrophobicContact CD2-CZ 3.76Å; L17-F56 HydrophobicContact CG-CZ 4.19Å; L17-L136 HydrophobicContact CD1-CD1 3.52Å; L17-L136 HydrophobicContact CD1-CG 4.14Å; L17-V138 HydrophobicContact CD1-CB 4.25Å; L17-V138 HydrophobicContact CD1-CG2 4.47Å; L17-V138 HydrophobicContact CD2-CB 4.11Å; L17-V138 HydrophobicContact CD2-CG2 3.79Å
18D90.4Very high89.3Confident74 Ų7445.1 Ų45.140%0.39626%0.259SS..Hα-helixtrans-64.9-40.3-179.6-66.4-20.3000111.5Q14 W21 A22 H137Q14-D18 VanDerWaalsContact O-CG 3.27Å; Q14-D18 PolarHBondContact O-N 3.21Å; D18-W21 PolarHBondContact O-N 3.27Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.4Å; D18-H137 IonicContact OD1-CD2 3.68Å
19R90.8Very high90.3Very high90 Ų9040 Ų4034%0.3424%0.236SC..Hα-helixtrans-65.8-43.6175.1-69.7169.5-173.2-76.4-14112.5D15 F16 L17 W21 A22 L23 I71 C73D15-R19 VanDerWaalsContact CG-NE 3.28Å; D15-R19 WeakPolarHBondContact O-CD 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.24Å; D15-R19 WeakPolarHBondContact O-CG 3.45Å; D15-R19 PolarHBondContact O-N 3.35Å; D15-R19 VanDerWaalsContact O-N 3.12Å; D15-R19 IonicContact OD1-CZ 2.98Å; D15-R19 IonicContact OD1-NE 2.99Å; D15-R19 PolarHBondContact OD1-NE 2.98Å; D15-R19 IonicContact OD1-NH2 3.78Å; D15-R19 PolarHBondContact OD1-NH2 2.92Å; D15-R19 IonicContact OD2-CZ 3.57Å; D15-R19 IonicContact OD2-NE 3.17Å; D15-R19 PolarHBondContact OD2-NE 2.95Å; D15-R19 IonicContact OD2-NH2 3.71Å; F16-R19 PolarHBondContact O-N 3.39Å; L17-R19 PolarHBondContact O-N 3.19Å; R19-W21 VanDerWaalsContact C-N 3.32Å; R19-A22 PolarHBondContact O-N 3.21Å; R19-L23 PolarHBondContact O-N 3.06Å; R19-I71 HydrophobicContact CB-CG2 3.97Å; R19-I71 WeakPolarHBondContact CD-O 3.3Å; R19-C73 VanDerWaalsContact CZ-SG 3.52Å
20A91.9Very high91.1Very high0 Ų039.8 Ų39.80%024%0.235CC..Hα-helixtrans-62.6-43.1175.800000110.9F16 L17 L23 G24 I25 L27F16-A20 PolarHBondContact O-N 3.35Å; L17-A20 PolarHBondContact O-N 3.32Å; A20-L23 PolarHBondContact O-N 3.23Å; A20-G24 PolarHBondContact O-N 2.94Å; A20-I25 HydrophobicContact CB-CB 4.48Å; A20-I25 WeakPolarHBondContact O-CB 3.5Å; A20-I25 PolarHBondContact O-N 3.23Å; A20-L27 HydrophobicContact CB-CD1 3.55Å; A20-L27 HydrophobicContact CB-CG 4.14Å
21W91.2Very high91.6Very high89 Ų8938.3 Ų38.334%0.33723%0.225SC..Hα-helixtrans-63.5-42.3177.4178.9-98.5000113.1L17 D18 R19 L23 G24 H137 Y139L17-W21 VanDerWaalsContact O-CB 3.31Å; L17-W21 WeakPolarHBondContact O-CB 3.49Å; L17-W21 PolarHBondContact O-N 3.33Å; D18-W21 PolarHBondContact O-N 3.27Å; R19-W21 VanDerWaalsContact C-N 3.32Å; W21-L23 PolarHBondContact O-N 3.36Å; W21-L23 VanDerWaalsContact O-N 3.13Å; W21-G24 WeakPolarHBondContact O-CA 3.48Å; W21-G24 PolarHBondContact O-N 3.3Å; W21-H137 HydrophobicContact CB-CB 3.52Å; W21-H137 AromaticContact CD1-CD2 3.64Å; W21-H137 AromaticContact CD1-CE1 3.74Å; W21-H137 AromaticContact CD1-CG 3.49Å; W21-H137 VanDerWaalsContact CD1-CG 3.49Å; W21-H137 AromaticContact CD1-ND1 3.55Å; W21-H137 AromaticContact CD1-NE2 3.78Å; W21-H137 HydrophobicContact CD2-CB 3.48Å; W21-H137 VanDerWaalsContact CD2-CB 3.48Å; W21-H137 AromaticContact CD2-CG 3.54Å; W21-H137 AromaticContact CD2-ND1 3.44Å; W21-H137 AromaticContact CE2-CE1 3.73Å; W21-H137 AromaticContact CE2-CG 3.78Å; W21-H137 AromaticContact CE2-ND1 3.18Å; W21-H137 HydrophobicContact CE3-CB 3.7Å; W21-H137 HydrophobicContact CG-CB 3.38Å; W21-H137 AromaticContact CG-CD2 3.88Å; W21-H137 AromaticContact CG-CG 3.37Å; W21-H137 AromaticContact CG-ND1 3.67Å; W21-H137 AromaticContact CZ2-ND1 3.67Å; W21-H137 AromaticContact NE1-CE1 3.38Å; W21-H137 PolarHBondContact NE1-CE1 2.73Å; W21-H137 AromaticContact NE1-CG 3.75Å; W21-H137 AromaticContact NE1-ND1 3.27Å; W21-H137 PolarHBondContact NE1-ND1 2.77Å; W21-H137 AromaticContact NE1-NE2 3.85Å; W21-Y139 HydrophobicContact CZ3-CE2 4.02Å
22A91Very high92Very high82 Ų8235.5 Ų35.568%0.67821%0.208SC*.Hα-helixtrans-59.7-23.9177.400000113D18 R19D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.4Å; R19-A22 PolarHBondContact O-N 3.21Å
23L90.5Very high92.2Very high66 Ų6636.2 Ų36.235%0.34621%0.212SC..THydrogen-bonded Turntrans-968.2174.3-61.2-176.9000113.5R19 A20 W21 I25 N67 R70 I71R19-L23 PolarHBondContact O-N 3.06Å; A20-L23 PolarHBondContact O-N 3.23Å; W21-L23 PolarHBondContact O-N 3.36Å; W21-L23 VanDerWaalsContact O-N 3.13Å; L23-I25 VanDerWaalsContact C-N 3.3Å; L23-I25 HydrophobicContact CB-CD1 3.99Å; L23-I25 HydrophobicContact CB-CG1 4.43Å; L23-I25 PolarHBondContact O-N 2.9Å; L23-N67 HydrophobicContact CD1-CB 3.87Å; L23-R70 HydrophobicContact CD1-CB 3.96Å; L23-I71 HydrophobicContact CD1-CD1 3.85Å; L23-I71 HydrophobicContact CD1-CG1 3.32Å; L23-I71 HydrophobicContact CG-CG1 4.43Å
24G91.4Very high92.4Very high61 Ų6136.2 Ų36.263%0.62921%0.212SC*.THydrogen-bonded Turntrans70.821.5179.600000114.1A20 W21 P26A20-G24 PolarHBondContact O-N 2.94Å; W21-G24 WeakPolarHBondContact O-CA 3.48Å; W21-G24 PolarHBondContact O-N 3.3Å; G24-P26 VanDerWaalsContact O-CD 3.25Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å
25I93.2Very high92.6Very high4 Ų432.6 Ų32.62%0.02120%0.195CC..  trans-92.6108.4-179.7-64.1156.8000109.3A20 L23 L27 L64 N67 I71A20-I25 HydrophobicContact CB-CB 4.48Å; A20-I25 WeakPolarHBondContact O-CB 3.5Å; A20-I25 PolarHBondContact O-N 3.23Å; L23-I25 VanDerWaalsContact C-N 3.3Å; L23-I25 HydrophobicContact CB-CD1 3.99Å; L23-I25 HydrophobicContact CB-CG1 4.43Å; L23-I25 PolarHBondContact O-N 2.9Å; I25-L27 HydrophobicContact CG2-CD2 4.13Å; I25-L27 PolarHBondContact O-N 3.35Å; I25-L64 HydrophobicContact CD1-CB 4.15Å; I25-L64 HydrophobicContact CD1-CD1 3.95Å; I25-L64 HydrophobicContact CG2-CB 4.08Å; I25-L64 HydrophobicContact CG2-CD1 4.29Å; I25-N67 HydrophobicContact CD1-CB 4.42Å; I25-I71 HydrophobicContact CD1-CD1 3.68Å
26P93.4Very high92.8Very high50 Ų5032.2 Ų32.233%0.32519%0.192SC..  trans-74.2127.7178.330.5-34.5000110.5G24 T58 A60 Y139G24-P26 VanDerWaalsContact O-CD 3.25Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-T58 VanDerWaalsContact O-CB 3.27Å; P26-T58 WeakPolarHBondContact O-CB 3.45Å; P26-T58 PolarHBondContact O-OG1 3.25Å; P26-A60 HydrophobicContact CG-CB 4.47Å; P26-Y139 HydrophobicContact CB-CD2 4.05Å; P26-Y139 HydrophobicContact CB-CE2 3.7Å
27L95.4Very high92.9Very high1 Ų132.1 Ų32.11%0.00519%0.192CC..  trans-110.5130.5174.8-62.5179.9000110.3F16 L17 A20 I25 F56 I96 V138 Y139F16-L27 HydrophobicContact CD1-CD1 4.13Å; F16-L27 HydrophobicContact CE1-CD1 3.59Å; L17-L27 HydrophobicContact CD2-CB 4.15Å; L17-L27 HydrophobicContact CD2-CD1 3.72Å; A20-L27 HydrophobicContact CB-CD1 3.55Å; A20-L27 HydrophobicContact CB-CG 4.14Å; I25-L27 HydrophobicContact CG2-CD2 4.13Å; I25-L27 PolarHBondContact O-N 3.35Å; L27-F56 HydrophobicContact CB-CB 4.48Å; L27-F56 HydrophobicContact CB-CD1 4.42Å; L27-I96 HydrophobicContact CD2-CG1 4.39Å; L27-I96 HydrophobicContact CD2-CG2 3.7Å; L27-V138 HydrophobicContact CB-CG2 4.4Å; L27-V138 WeakPolarHBondContact O-CG2 3.32Å; L27-Y139 PolarHBondContact O-N 3.34Å
28T95.4Very high92.8Very high7 Ų732.4 Ų32.44%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-107.2128.9176.8-60.20000109.4L30 F56 G57 T127 Y139 P141T28-L30 HydrophobicContact CG2-CD2 4.36Å; T28-L30 PolarHBondContact O-N 3.38Å; T28-F56 CarbonylContact O-C 3.44Å; T28-F56 VanDerWaalsContact O-CA 3.23Å; T28-F56 WeakPolarHBondContact O-CA 3.46Å; T28-G57 PolarHBondContact N-O 3.03Å; T28-G57 PolarHBondContact O-N 3.17Å; T28-T127 HydrophobicContact CG2-CG2 3.96Å; T28-T127 WeakPolarHBondContact OG1-CG2 3.33Å; T28-Y139 CarbonylContact C-O 3.49Å; T28-Y139 WeakPolarHBondContact CA-O 3.42Å; T28-P141 HydrophobicContact CG2-CG 3.86Å
29I95.4Very high92.7Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-64121.8174-59.1165000108.4D31 W34 L35 I38 F56 V138 Y139 P141I29-D31 HydrophobicContact CG2-CB 4.43Å; I29-W34 HydrophobicContact CD1-CD2 3.82Å; I29-W34 HydrophobicContact CD1-CE3 4.21Å; I29-W34 HydrophobicContact CD1-CG 4.3Å; I29-W34 HydrophobicContact CD1-CH2 4.31Å; I29-W34 HydrophobicContact CD1-CZ2 3.92Å; I29-W34 HydrophobicContact CD1-CZ3 4.44Å; I29-W34 HydrophobicContact CG1-CD2 4.16Å; I29-W34 HydrophobicContact CG1-CE3 4.07Å; I29-W34 HydrophobicContact CG1-CH2 4.47Å; I29-W34 HydrophobicContact CG1-CZ3 4.24Å; I29-W34 HydrophobicContact CG2-CB 3.79Å; I29-W34 HydrophobicContact CG2-CD2 3.84Å; I29-W34 HydrophobicContact CG2-CE3 3.86Å; I29-W34 HydrophobicContact CG2-CG 3.84Å; I29-L35 HydrophobicContact CB-CD2 4Å; I29-L35 HydrophobicContact CG2-CD2 3.78Å; I29-L35 HydrophobicContact CG2-CG 3.9Å; I29-I38 HydrophobicContact CD1-CD1 3.76Å; I29-F56 HydrophobicContact CG1-CD1 4.28Å; I29-F56 HydrophobicContact CG1-CE1 4Å; I29-V138 HydrophobicContact CD1-CG1 3.87Å; I29-V138 HydrophobicContact CD1-CG2 4.26Å; I29-V138 HydrophobicContact CG1-CG1 4.27Å; I29-V138 HydrophobicContact CG1-CG2 3.71Å; I29-Y139 WeakPolarHBondContact CG1-O 3.08Å; I29-Y139 PolarHBondContact N-O 3.26Å; I29-P141 VanDerWaalsContact O-CD 3.3Å; I29-P141 WeakPolarHBondContact O-CD 3.3Å
30L95.8Very high92.6Very high6 Ų629 Ų293%0.03119%0.188CC..  trans-117.3-4.8171.8-64.2-178.3000112.2T28 A32 L55 V97 I99 I108 P141 F147T28-L30 HydrophobicContact CG2-CD2 4.36Å; T28-L30 PolarHBondContact O-N 3.38Å; L30-A32 PolarHBondContact O-N 2.8Å; L30-L55 CarbonylContact C-O 3.5Å; L30-L55 HydrophobicContact CB-CD2 4.07Å; L30-L55 HydrophobicContact CB-CG 4.02Å; L30-L55 PolarHBondContact N-O 3.22Å; L30-V97 HydrophobicContact CD1-CG1 3.7Å; L30-I99 HydrophobicContact CD1-CD1 4.19Å; L30-I99 HydrophobicContact CD1-CG1 4.15Å; L30-I108 HydrophobicContact CD1-CD1 3.99Å; L30-I108 HydrophobicContact CD1-CG1 4.33Å; L30-I108 HydrophobicContact CD1-CG2 3.9Å; L30-I108 HydrophobicContact CD2-CD1 4.01Å; L30-P141 HydrophobicContact CD2-CG 4.2Å; L30-F147 HydrophobicContact CD2-CZ 3.9Å
31D94.7Very high92.4Very high9 Ų930.9 Ų30.95%0.04820%0.202CC..  trans-65.6116.7174.9-169.7-91.4000111.1I29 D33 W34 L35 K51 I54 L55I29-D31 HydrophobicContact CG2-CB 4.43Å; D31-D33 VanDerWaalsContact C-N 3.33Å; D31-D33 PolarHBondContact O-N 3.21Å; D31-D33 PolarHBondContact OD1-N 3.14Å; D31-W34 HydrophobicContact CB-CB 4.08Å; D31-W34 PolarHBondContact O-N 3.21Å; D31-W34 PolarHBondContact OD1-N 3.31Å; D31-W34 VanDerWaalsContact OD1-N 3.11Å; D31-L35 WeakPolarHBondContact O-CG 3.4Å; D31-L35 PolarHBondContact O-N 2.97Å; D31-K51 WeakPolarHBondContact OD1-CE 3.4Å; D31-K51 IonicContact OD1-NZ 3.02Å; D31-K51 WeakPolarHBondContact OD2-CE 3.42Å; D31-K51 IonicContact OD2-NZ 3.62Å; D31-K51 PolarHBondContact OD2-NZ 3.46Å; D31-K51 VanDerWaalsContact OD2-NZ 3.11Å; D31-I54 HydrophobicContact CB-CG2 4.35Å; D31-L55 HydrophobicContact CB-CB 4.47Å; D31-L55 PolarHBondContact N-O 2.91Å
32A93.2Very high92.1Very high40 Ų4038.1 Ų38.133%0.33123%0.231SC..Hα-helixtrans-60-40.3-173.700000112.7L30 L35 L36 M151L30-A32 PolarHBondContact O-N 2.8Å; A32-L35 PolarHBondContact O-N 2.89Å; A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 WeakPolarHBondContact O-CD1 3.36Å; A32-L36 WeakPolarHBondContact O-CG 3.42Å; A32-L36 PolarHBondContact O-N 2.84Å; A32-M151 HydrophobicContact CB-CE 4.32Å
33D92.6Very high91.8Very high48 Ų4836 Ų3626%0.25722%0.217SC..Hα-helixtrans-69.8-38.3-178.4-59.5-55.1000111.2D31 C37 F48 K51D31-D33 VanDerWaalsContact C-N 3.33Å; D31-D33 PolarHBondContact O-N 3.21Å; D31-D33 PolarHBondContact OD1-N 3.14Å; D33-C37 WeakPolarHBondContact O-CB 3.38Å; D33-C37 PolarHBondContact O-N 3.46Å; D33-F48 HydrophobicContact CB-CB 4.27Å; D33-K51 HydrophobicContact CB-CD 3.83Å; D33-K51 WeakPolarHBondContact OD2-CD 3.47Å; D33-K51 IonicContact OD2-NZ 3.44Å; D33-K51 PolarHBondContact OD2-NZ 3.4Å
34W93.4Very high91.8Very high0 Ų033.4 Ų33.40%021%0.205CC..Hα-helixtrans-63.2-48.7172.4-162.2-9000111T9 V13 L17 I29 D31 L36 C37 I38 F48 I54 F56 L136T9-W34 HydrophobicContact CG2-CH2 4.12Å; T9-W34 HydrophobicContact CG2-CZ2 4.38Å; V13-W34 HydrophobicContact CG1-CH2 4.15Å; V13-W34 HydrophobicContact CG1-CZ3 4.18Å; L17-W34 HydrophobicContact CD1-CH2 4.3Å; I29-W34 HydrophobicContact CD1-CD2 3.82Å; I29-W34 HydrophobicContact CD1-CE3 4.21Å; I29-W34 HydrophobicContact CD1-CG 4.3Å; I29-W34 HydrophobicContact CD1-CH2 4.31Å; I29-W34 HydrophobicContact CD1-CZ2 3.92Å; I29-W34 HydrophobicContact CD1-CZ3 4.44Å; I29-W34 HydrophobicContact CG1-CD2 4.16Å; I29-W34 HydrophobicContact CG1-CE3 4.07Å; I29-W34 HydrophobicContact CG1-CH2 4.47Å; I29-W34 HydrophobicContact CG1-CZ3 4.24Å; I29-W34 HydrophobicContact CG2-CB 3.79Å; I29-W34 HydrophobicContact CG2-CD2 3.84Å; I29-W34 HydrophobicContact CG2-CE3 3.86Å; I29-W34 HydrophobicContact CG2-CG 3.84Å; D31-W34 HydrophobicContact CB-CB 4.08Å; D31-W34 PolarHBondContact O-N 3.21Å; D31-W34 PolarHBondContact OD1-N 3.31Å; D31-W34 VanDerWaalsContact OD1-N 3.11Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 2.91Å; W34-C37 WeakPolarHBondContact O-CB 3.49Å; W34-C37 PolarHBondContact O-N 2.75Å; W34-C37 VanDerWaalsContact O-N 3.15Å; W34-I38 HydrophobicContact CG-CD1 4.43Å; W34-I38 VanDerWaalsContact O-CG1 3.31Å; W34-I38 WeakPolarHBondContact O-CG1 3.5Å; W34-I38 PolarHBondContact O-N 2.86Å; W34-F48 HydrophobicContact CB-CD2 3.58Å; W34-F48 HydrophobicContact CB-CE2 3.51Å; W34-F48 HydrophobicContact CB-CG 4.32Å; W34-F48 HydrophobicContact CB-CZ 4.21Å; W34-F48 AromaticContact CD1-CZ 3.87Å; W34-F48 HydrophobicContact CD2-CD2 4.39Å; W34-F48 HydrophobicContact CD2-CE1 4.28Å; W34-F48 AromaticContact CD2-CE2 3.45Å; W34-F48 HydrophobicContact CD2-CE2 3.45Å; W34-F48 VanDerWaalsContact CD2-CE2 3.45Å; W34-F48 AromaticContact CD2-CZ 3.39Å; W34-F48 HydrophobicContact CD2-CZ 3.39Å; W34-F48 AromaticContact CE2-CZ 3.61Å; W34-F48 AromaticContact CE3-CE2 3.62Å; W34-F48 HydrophobicContact CE3-CE2 3.62Å; W34-F48 AromaticContact CE3-CZ 3.74Å; W34-F48 HydrophobicContact CE3-CZ 3.74Å; W34-F48 AromaticContact CG-CD2 3.9Å; W34-F48 HydrophobicContact CG-CD2 3.9Å; W34-F48 HydrophobicContact CG-CE1 4.21Å; W34-F48 AromaticContact CG-CE2 3.42Å; W34-F48 HydrophobicContact CG-CE2 3.42Å; W34-F48 VanDerWaalsContact CG-CE2 3.42Å; W34-F48 HydrophobicContact CG-CG 4.47Å; W34-F48 AromaticContact CG-CZ 3.61Å; W34-F48 HydrophobicContact CG-CZ 3.61Å; W34-F48 HydrophobicContact CH2-CZ 4.45Å; W34-F48 HydrophobicContact CZ2-CZ 4.16Å; W34-F48 HydrophobicContact CZ3-CE2 4.42Å; W34-F48 HydrophobicContact CZ3-CZ 4.24Å; W34-F48 AromaticContact NE1-CZ 3.89Å; W34-I54 HydrophobicContact CE3-CG2 3.84Å; W34-I54 HydrophobicContact CZ3-CG2 3.83Å; W34-F56 HydrophobicContact CE3-CE1 4.27Å; W34-F56 HydrophobicContact CE3-CZ 4.44Å; W34-F56 HydrophobicContact CH2-CE1 4.14Å; W34-F56 HydrophobicContact CH2-CZ 4.11Å; W34-F56 AromaticContact CZ3-CE1 3.52Å; W34-F56 HydrophobicContact CZ3-CE1 3.52Å; W34-F56 AromaticContact CZ3-CZ 3.47Å; W34-F56 HydrophobicContact CZ3-CZ 3.47Å; W34-F56 VanDerWaalsContact CZ3-CZ 3.47Å; W34-L136 HydrophobicContact CH2-CD2 4.44Å; W34-L136 HydrophobicContact CZ2-CD2 3.93Å
35L94Very high91.7Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-60.8-41.4178.6-68.7177.3000112.3I29 D31 A32 I38 D39 L144 F147 L148 M151I29-L35 HydrophobicContact CB-CD2 4Å; I29-L35 HydrophobicContact CG2-CD2 3.78Å; I29-L35 HydrophobicContact CG2-CG 3.9Å; D31-L35 WeakPolarHBondContact O-CG 3.4Å; D31-L35 PolarHBondContact O-N 2.97Å; A32-L35 PolarHBondContact O-N 2.89Å; L35-I38 WeakPolarHBondContact O-CB 3.48Å; L35-I38 PolarHBondContact O-N 3.05Å; L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 2.8Å; L35-L144 HydrophobicContact CB-CD1 4.1Å; L35-L144 HydrophobicContact CD2-CD1 3.84Å; L35-L144 HydrophobicContact CG-CD1 4.42Å; L35-F147 HydrophobicContact CD1-CD1 3.92Å; L35-F147 HydrophobicContact CD1-CE1 3.54Å; L35-L148 HydrophobicContact CB-CD2 3.79Å; L35-M151 HydrophobicContact CD1-SD 4.27Å
36L93.4Very high91.5Very high48 Ų4840.6 Ų40.625%0.25122%0.217SC..Hα-helixtrans-64.3-38.9174.6-73.9167.7000112.1A32 W34 I38 D39 G40 S41 A44 L148A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 WeakPolarHBondContact O-CD1 3.36Å; A32-L36 WeakPolarHBondContact O-CG 3.42Å; A32-L36 PolarHBondContact O-N 2.84Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 2.91Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-D39 PolarHBondContact O-N 3.44Å; L36-G40 PolarHBondContact O-N 3.34Å; L36-S41 WeakPolarHBondContact CD2-OG 3.22Å; L36-S41 WeakPolarHBondContact O-CB 3.24Å; L36-S41 PolarHBondContact O-N 3.08Å; L36-A44 HydrophobicContact CB-CB 3.66Å; L36-L148 HydrophobicContact CD2-CD1 4.12Å; L36-L148 HydrophobicContact CD2-CD2 4.15Å; L36-L148 HydrophobicContact CG-CD2 4.15Å
37C91.4Very high91.3Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-63-39173.1171.50000112S5 D33 W34 G40 A44 C45 F48S5-C37 WeakPolarHBondContact CB-SG 3.39Å; D33-C37 WeakPolarHBondContact O-CB 3.38Å; D33-C37 PolarHBondContact O-N 3.46Å; W34-C37 WeakPolarHBondContact O-CB 3.49Å; W34-C37 PolarHBondContact O-N 2.75Å; W34-C37 VanDerWaalsContact O-N 3.15Å; C37-G40 PolarHBondContact O-N 2.9Å; C37-A44 HydrophobicContact CB-CB 4.36Å; C37-C45 WeakPolarHBondContact CA-SG 3.13Å; C37-C45 HydrophobicContact CB-CB 3.92Å; C37-C45 WeakPolarHBondContact CB-SG 3.32Å; C37-C45 PolarHBondContact O-SG 2.87Å; C37-C45 WeakPolarHBondContact SG-CA 3.31Å; C37-C45 WeakPolarHBondContact SG-CB 3.37Å; C37-C45 CovalentContact SG-SG 2.04Å; C37-C45 PolarHBondContact SG-SG 2.96Å; C37-F48 HydrophobicContact CB-CB 4.46Å
38I89.7Confident91.1Very high6 Ų643.4 Ų43.43%0.03123%0.226CC..Hα-helixtrans-66.4-45.5175.8-65169.7000110.9F2 I29 W34 L35 L36 G40 F130 L144F2-I38 HydrophobicContact CD1-CG2 4.18Å; F2-I38 HydrophobicContact CE1-CG2 3.52Å; F2-I38 HydrophobicContact CE2-CG2 4.3Å; F2-I38 HydrophobicContact CZ-CG2 3.58Å; I29-I38 HydrophobicContact CD1-CD1 3.76Å; W34-I38 HydrophobicContact CG-CD1 4.43Å; W34-I38 VanDerWaalsContact O-CG1 3.31Å; W34-I38 WeakPolarHBondContact O-CG1 3.5Å; W34-I38 PolarHBondContact O-N 2.86Å; L35-I38 WeakPolarHBondContact O-CB 3.48Å; L35-I38 PolarHBondContact O-N 3.05Å; L36-I38 VanDerWaalsContact C-N 3.33Å; I38-G40 PolarHBondContact O-N 2.99Å; I38-F130 HydrophobicContact CD1-CD2 4.01Å; I38-F130 HydrophobicContact CD1-CE2 3.56Å; I38-F130 HydrophobicContact CG1-CE2 3.75Å; I38-F130 HydrophobicContact CG2-CE2 4.21Å; I38-L144 HydrophobicContact CB-CD2 4.14Å; I38-L144 HydrophobicContact CG2-CD2 3.73Å
39D90.1Very high90.8Very high63 Ų6344.6 Ų44.634%0.33724%0.236SC..Hα-helixtrans-62.4-23.7177.3-171.366.1000112.4L35 L36 L144 L148L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 2.8Å; L36-D39 PolarHBondContact O-N 3.44Å; D39-L144 HydrophobicContact CB-CD2 3.83Å; D39-L144 HydrophobicContact CB-CG 4.29Å; D39-L148 HydrophobicContact CB-CD1 3.64Å
40G87.3Confident90.6Very high28 Ų2850.1 Ų50.129%0.28927%0.265SS..THydrogen-bonded Turntrans93.719.2178.500000114.3M1 L36 C37 I38 Y42M1-G40 WeakPolarHBondContact SD-CA 3.47Å; L36-G40 PolarHBondContact O-N 3.34Å; C37-G40 PolarHBondContact O-N 2.9Å; I38-G40 PolarHBondContact O-N 2.99Å; G40-Y42 PolarHBondContact O-N 3.47Å
41S87.9Confident90.4Very high41 Ų4151.8 Ų51.829%0.28727%0.272SS..  trans-58.5132.8173.5-69.80000110.4L36 G43 A44L36-S41 WeakPolarHBondContact CD2-OG 3.22Å; L36-S41 WeakPolarHBondContact O-CB 3.24Å; L36-S41 PolarHBondContact O-N 3.08Å; S41-G43 PolarHBondContact O-N 3.48Å; S41-A44 WeakPolarHBondContact O-CB 3.37Å; S41-A44 PolarHBondContact O-N 3.4Å
42Y84.8Confident90.4Very high241 Ų24157.5 Ų57.595%0.94529%0.293SS*.THydrogen-bonded Turntrans-59.5136-176.4-176.2-96.3000111.2G40 A44G40-Y42 PolarHBondContact O-N 3.47Å; Y42-A44 PolarHBondContact O-N 2.89Å
43G85.2Confident90.5Very high38 Ų3858.5 Ų58.539%0.39229%0.291SS..THydrogen-bonded Turntrans74.7-22.7-17900000115.7S41 C45 R46 E47S41-G43 PolarHBondContact O-N 3.48Å; G43-C45 VanDerWaalsContact C-N 3.3Å; G43-C45 PolarHBondContact O-N 2.88Å; G43-C45 VanDerWaalsContact O-N 3.14Å; G43-R46 WeakPolarHBondContact O-CB 3.03Å; G43-R46 PolarHBondContact O-N 3.11Å; G43-E47 PolarHBondContact O-N 3.38Å
44A89.6Confident90.6Very high10 Ų1056.3 Ų56.38%0.08328%0.279CS..Hα-helixtrans-58.7-34.8-171.300000114.4L36 C37 S41 Y42 R46 E47 F48L36-A44 HydrophobicContact CB-CB 3.66Å; C37-A44 HydrophobicContact CB-CB 4.36Å; S41-A44 WeakPolarHBondContact O-CB 3.37Å; S41-A44 PolarHBondContact O-N 3.4Å; Y42-A44 PolarHBondContact O-N 2.89Å; A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 3.04Å; A44-E47 PolarHBondContact O-N 3.38Å; A44-F48 WeakPolarHBondContact O-CB 3.05Å; A44-F48 PolarHBondContact O-N 3.11Å
45C89.7Confident90.8Very high30 Ų3057.1 Ų57.120%0.20328%0.283CS..Hα-helixtrans-68.7-23.9176.4-63.40000114.1C37 G43 A49C37-C45 WeakPolarHBondContact CA-SG 3.13Å; C37-C45 HydrophobicContact CB-CB 3.92Å; C37-C45 WeakPolarHBondContact CB-SG 3.32Å; C37-C45 PolarHBondContact O-SG 2.87Å; C37-C45 WeakPolarHBondContact SG-CA 3.31Å; C37-C45 WeakPolarHBondContact SG-CB 3.37Å; C37-C45 CovalentContact SG-SG 2.04Å; C37-C45 PolarHBondContact SG-SG 2.96Å; G43-C45 VanDerWaalsContact C-N 3.3Å; G43-C45 PolarHBondContact O-N 2.88Å; G43-C45 VanDerWaalsContact O-N 3.14Å; C45-A49 WeakPolarHBondContact O-CB 3.21Å; C45-A49 PolarHBondContact O-N 3.26Å
46R89.2Confident90.9Very high187 Ų18757.1 Ų57.171%0.70628%0.283SS*.Hα-helixtrans-75.2-45.2173.7-176.6-178.1178.5176.8-0.7109.9G43 A44 A49 L50G43-R46 WeakPolarHBondContact O-CB 3.03Å; G43-R46 PolarHBondContact O-N 3.11Å; A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 3.04Å; R46-A49 WeakPolarHBondContact O-CB 3.46Å; R46-A49 PolarHBondContact O-N 2.92Å; R46-L50 WeakPolarHBondContact O-CG 3.45Å; R46-L50 PolarHBondContact O-N 3.27Å
47E90Very high91.1Very high105 Ų10554.8 Ų54.849%0.49127%0.271SS..Hα-helixtrans-58.8-49.8175.1-62.2-51.9135.200111G43 A44 A49 L50 K51G43-E47 PolarHBondContact O-N 3.38Å; A44-E47 PolarHBondContact O-N 3.38Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.69Å; E47-L50 PolarHBondContact O-N 3.38Å; E47-K51 PolarHBondContact O-N 3.15Å
48F91.1Very high91.3Very high5 Ų554.8 Ų54.82%0.02227%0.271CS..Hα-helixtrans-54.5-43.5175.1172.2-112.9000112.8K8 D33 W34 C37 A44 L50 K51 I54K8-F48 HydrophobicContact CB-CD1 4.14Å; K8-F48 HydrophobicContact CB-CE1 4.19Å; D33-F48 HydrophobicContact CB-CB 4.27Å; W34-F48 HydrophobicContact CB-CD2 3.58Å; W34-F48 HydrophobicContact CB-CE2 3.51Å; W34-F48 HydrophobicContact CB-CG 4.32Å; W34-F48 HydrophobicContact CB-CZ 4.21Å; W34-F48 AromaticContact CD1-CZ 3.87Å; W34-F48 HydrophobicContact CD2-CD2 4.39Å; W34-F48 HydrophobicContact CD2-CE1 4.28Å; W34-F48 AromaticContact CD2-CE2 3.45Å; W34-F48 HydrophobicContact CD2-CE2 3.45Å; W34-F48 VanDerWaalsContact CD2-CE2 3.45Å; W34-F48 AromaticContact CD2-CZ 3.39Å; W34-F48 HydrophobicContact CD2-CZ 3.39Å; W34-F48 AromaticContact CE2-CZ 3.61Å; W34-F48 AromaticContact CE3-CE2 3.62Å; W34-F48 HydrophobicContact CE3-CE2 3.62Å; W34-F48 AromaticContact CE3-CZ 3.74Å; W34-F48 HydrophobicContact CE3-CZ 3.74Å; W34-F48 AromaticContact CG-CD2 3.9Å; W34-F48 HydrophobicContact CG-CD2 3.9Å; W34-F48 HydrophobicContact CG-CE1 4.21Å; W34-F48 AromaticContact CG-CE2 3.42Å; W34-F48 HydrophobicContact CG-CE2 3.42Å; W34-F48 VanDerWaalsContact CG-CE2 3.42Å; W34-F48 HydrophobicContact CG-CG 4.47Å; W34-F48 AromaticContact CG-CZ 3.61Å; W34-F48 HydrophobicContact CG-CZ 3.61Å; W34-F48 HydrophobicContact CH2-CZ 4.45Å; W34-F48 HydrophobicContact CZ2-CZ 4.16Å; W34-F48 HydrophobicContact CZ3-CE2 4.42Å; W34-F48 HydrophobicContact CZ3-CZ 4.24Å; W34-F48 AromaticContact NE1-CZ 3.89Å; C37-F48 HydrophobicContact CB-CB 4.46Å; A44-F48 WeakPolarHBondContact O-CB 3.05Å; A44-F48 PolarHBondContact O-N 3.11Å; F48-L50 PolarHBondContact O-N 2.04Å; F48-K51 HydrophobicContact CD2-CD 4.49Å; F48-K51 WeakPolarHBondContact O-CB 3.34Å; F48-K51 PolarHBondContact O-N 2.91Å; F48-K51 VanDerWaalsContact O-N 3.16Å; F48-I54 HydrophobicContact CD2-CD1 4.18Å; F48-I54 HydrophobicContact CE2-CD1 3.52Å; F48-I54 HydrophobicContact CZ-CD1 4.4Å
49A88.3Confident91.4Very high31 Ų3159.2 Ų59.226%0.25629%0.292SS..Hα-helixtrans-63.9-23.1-179.700000114.2K8 C45 R46 E47K8-A49 HydrophobicContact CB-CB 3.87Å; K8-A49 HydrophobicContact CD-CB 3.62Å; K8-A49 HydrophobicContact CG-CB 3.82Å; C45-A49 WeakPolarHBondContact O-CB 3.21Å; C45-A49 PolarHBondContact O-N 3.26Å; R46-A49 WeakPolarHBondContact O-CB 3.46Å; R46-A49 PolarHBondContact O-N 2.92Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.69Å
50L90.7Very high91.6Very high116 Ų11657.7 Ų57.761%0.60729%0.288SS*.Hα-helixtrans-90.6-11.7179.8-65.7173.7000112.7R46 E47 F48R46-L50 WeakPolarHBondContact O-CG 3.45Å; R46-L50 PolarHBondContact O-N 3.27Å; E47-L50 PolarHBondContact O-N 3.38Å; F48-L50 PolarHBondContact O-N 2.04Å
51K91.9Very high92Very high41 Ų4156.9 Ų56.918%0.17828%0.276CS..  trans-64.8147.7-177.3-72.3179.375.5108.40112.4D31 D33 E47 F48 Q53 I54 F92D31-K51 WeakPolarHBondContact OD1-CE 3.4Å; D31-K51 IonicContact OD1-NZ 3.02Å; D31-K51 WeakPolarHBondContact OD2-CE 3.42Å; D31-K51 IonicContact OD2-NZ 3.62Å; D31-K51 PolarHBondContact OD2-NZ 3.46Å; D31-K51 VanDerWaalsContact OD2-NZ 3.11Å; D33-K51 HydrophobicContact CB-CD 3.83Å; D33-K51 WeakPolarHBondContact OD2-CD 3.47Å; D33-K51 IonicContact OD2-NZ 3.44Å; D33-K51 PolarHBondContact OD2-NZ 3.4Å; E47-K51 PolarHBondContact O-N 3.15Å; F48-K51 HydrophobicContact CD2-CD 4.49Å; F48-K51 WeakPolarHBondContact O-CB 3.34Å; F48-K51 PolarHBondContact O-N 2.91Å; F48-K51 VanDerWaalsContact O-N 3.16Å; K51-Q53 WeakPolarHBondContact CE-O 3.1Å; K51-I54 HydrophobicContact CB-CD1 4.47Å; K51-F92 WeakPolarHBondContact O-CE2 3Å
52R94.1Very high92.3Very high130 Ų13061.6 Ų61.649%0.49129%0.293SS..SBendtrans-114.68.7170.5-65.2-64.2-175.7-104.41.5112.7D91 F92 R93R52-D91 VanDerWaalsContact CD-OD2 3.29Å; R52-D91 WeakPolarHBondContact CD-OD2 3.31Å; R52-D91 IonicContact NE-OD2 2.73Å; R52-D91 PolarHBondContact NE-OD2 3.25Å; R52-F92 HydrophobicContact CB-CD2 4.34Å; R52-F92 CarbonylContact O-C 3.5Å; R52-F92 VanDerWaalsContact O-CA 3.29Å; R52-F92 WeakPolarHBondContact O-CA 3.32Å; R52-R93 PolarHBondContact O-N 2.93Å
53Q95.5Very high92.7Very high61 Ų6151.9 Ų51.929%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-141.4137175.165.5-175.843.600110.6K51 R93 L114K51-Q53 WeakPolarHBondContact CE-O 3.1Å; Q53-R93 CarbonylContact C-O 3.57Å; Q53-R93 WeakPolarHBondContact CA-O 3.47Å; Q53-R93 HydrophobicContact CB-CB 4.04Å; Q53-L114 HydrophobicContact CB-CD2 4.41Å; Q53-L114 HydrophobicContact CB-CG 4.2Å; Q53-L114 PolarHBondContact NE2-O 2.8Å; Q53-L114 VanDerWaalsContact NE2-O 3.12Å
54I95.6Very high93.1Very high2 Ų250.1 Ų50.11%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-128.2134.9177.2-56.2-58.8000109V13 D31 W34 F48 K51 F56 F92 R93 A95V13-I54 HydrophobicContact CG2-CG1 4.18Å; D31-I54 HydrophobicContact CB-CG2 4.35Å; W34-I54 HydrophobicContact CE3-CG2 3.84Å; W34-I54 HydrophobicContact CZ3-CG2 3.83Å; F48-I54 HydrophobicContact CD2-CD1 4.18Å; F48-I54 HydrophobicContact CE2-CD1 3.52Å; F48-I54 HydrophobicContact CZ-CD1 4.4Å; K51-I54 HydrophobicContact CB-CD1 4.47Å; I54-F56 HydrophobicContact CB-CE2 4.32Å; I54-F56 HydrophobicContact CG2-CD2 4.06Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.54Å; I54-F56 HydrophobicContact CG2-CZ 3.65Å; I54-F92 HydrophobicContact CD1-CZ 4.46Å; I54-F92 HydrophobicContact CG1-CE1 3.97Å; I54-F92 HydrophobicContact CG1-CZ 3.77Å; I54-R93 PolarHBondContact N-O 3.41Å; I54-A95 PolarHBondContact O-N 3.02Å
55L97.1Very high93.3Very high16 Ų1652.3 Ų52.38%0.08426%0.259CS..EExtended strand (participates in β ladder)trans-104.2124.7172.8-176.865.1000111.4L30 D31 A95 V97 V111 L114 T116L30-L55 CarbonylContact C-O 3.5Å; L30-L55 HydrophobicContact CB-CD2 4.07Å; L30-L55 HydrophobicContact CB-CG 4.02Å; L30-L55 PolarHBondContact N-O 3.22Å; D31-L55 HydrophobicContact CB-CB 4.47Å; D31-L55 PolarHBondContact N-O 2.91Å; L55-A95 HydrophobicContact CD1-CB 3.87Å; L55-V97 HydrophobicContact CD1-CB 4.36Å; L55-V97 HydrophobicContact CD1-CG1 4.25Å; L55-V111 HydrophobicContact CD1-CG2 3.8Å; L55-L114 HydrophobicContact CB-CD2 4.1Å; L55-L114 HydrophobicContact CD1-CD2 4.32Å; L55-T116 HydrophobicContact CD2-CG2 4.36Å
56F97.2Very high93.4Very high0 Ų057 Ų570%028%0.278CS..EExtended strand (participates in β ladder)trans-112.8161.9165.1-60-77000110.2V13 L17 L27 T28 I29 W34 I54 I94 A95 I96 V97 V138V13-F56 HydrophobicContact CG1-CE2 4.26Å; V13-F56 HydrophobicContact CG1-CZ 3.85Å; L17-F56 HydrophobicContact CD1-CZ 4.24Å; L17-F56 HydrophobicContact CD2-CD1 4.48Å; L17-F56 HydrophobicContact CD2-CE1 3.86Å; L17-F56 HydrophobicContact CD2-CE2 4.36Å; L17-F56 HydrophobicContact CD2-CZ 3.76Å; L17-F56 HydrophobicContact CG-CZ 4.19Å; L27-F56 HydrophobicContact CB-CB 4.48Å; L27-F56 HydrophobicContact CB-CD1 4.42Å; T28-F56 CarbonylContact O-C 3.44Å; T28-F56 VanDerWaalsContact O-CA 3.23Å; T28-F56 WeakPolarHBondContact O-CA 3.46Å; I29-F56 HydrophobicContact CG1-CD1 4.28Å; I29-F56 HydrophobicContact CG1-CE1 4Å; W34-F56 HydrophobicContact CE3-CE1 4.27Å; W34-F56 HydrophobicContact CE3-CZ 4.44Å; W34-F56 HydrophobicContact CH2-CE1 4.14Å; W34-F56 HydrophobicContact CH2-CZ 4.11Å; W34-F56 AromaticContact CZ3-CE1 3.52Å; W34-F56 HydrophobicContact CZ3-CE1 3.52Å; W34-F56 AromaticContact CZ3-CZ 3.47Å; W34-F56 HydrophobicContact CZ3-CZ 3.47Å; W34-F56 VanDerWaalsContact CZ3-CZ 3.47Å; I54-F56 HydrophobicContact CB-CE2 4.32Å; I54-F56 HydrophobicContact CG2-CD2 4.06Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.54Å; I54-F56 HydrophobicContact CG2-CZ 3.65Å; F56-I94 HydrophobicContact CD2-CG2 3.74Å; F56-I94 HydrophobicContact CE2-CG2 3.71Å; F56-A95 PolarHBondContact N-O 2.92Å; F56-I96 HydrophobicContact CB-CG1 4.36Å; F56-I96 HydrophobicContact CB-CG2 4.43Å; F56-I96 WeakPolarHBondContact O-CA 3.47Å; F56-V97 WeakPolarHBondContact O-CG1 3.31Å; F56-V97 PolarHBondContact O-N 3.26Å; F56-V138 HydrophobicContact CD1-CG2 4.2Å; F56-V138 HydrophobicContact CE1-CG2 3.87Å
57G96.4Very high93.5Very high0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-127.7155.9165.100000111.7T28 V97T28-G57 PolarHBondContact N-O 3.03Å; T28-G57 PolarHBondContact O-N 3.17Å; G57-V97 CarbonylContact C-O 3.54Å; G57-V97 WeakPolarHBondContact CA-O 3.44Å
58T95.3Very high93.3Very high0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-142.3149.4171.8-170.50000110.6P26 A60 Y61 L64 I96 V97 I99P26-T58 VanDerWaalsContact O-CB 3.27Å; P26-T58 WeakPolarHBondContact O-CB 3.45Å; P26-T58 PolarHBondContact O-OG1 3.25Å; T58-A60 PolarHBondContact OG1-N 3.45Å; T58-Y61 HydrophobicContact CG2-CD2 4.41Å; T58-L64 HydrophobicContact CG2-CD2 4.1Å; T58-I96 HydrophobicContact CG2-CG2 3.84Å; T58-V97 PolarHBondContact N-O 3.28Å; T58-I99 PolarHBondContact O-N 2.7Å
59E92.3Very high93.1Very high99 Ų9951 Ų5146%0.46327%0.268SS..SBendtrans-88.9-14167.1-61.3-176.8172.100111.2Y61 I99 Q101E59-Y61 VanDerWaalsContact C-N 3.27Å; E59-Y61 PolarHBondContact O-N 3.14Å; E59-I99 HydrophobicContact CG-CB 4.06Å; E59-I99 HydrophobicContact CG-CG2 4.34Å; E59-Q101 PolarHBondContact OE1-NE2 2.95Å; E59-Q101 PolarHBondContact OE2-NE2 2.83Å; E59-Q101 VanDerWaalsContact OE2-NE2 3.13Å
60A94.3Very high92.9Very high30 Ų3058 Ų5825%0.24829%0.288CS..  trans-9337.4177.100000111.9P26 T58 E62 A63 L64P26-A60 HydrophobicContact CG-CB 4.47Å; T58-A60 PolarHBondContact OG1-N 3.45Å; A60-E62 VanDerWaalsContact C-N 3.34Å; A60-E62 PolarHBondContact O-N 3.37Å; A60-A63 HydrophobicContact CB-CB 4.45Å; A60-A63 PolarHBondContact O-N 2.81Å; A60-L64 PolarHBondContact O-N 3.41Å
61Y95.3Very high92.4Very high12 Ų1252.6 Ų52.65%0.04726%0.259CS..Hα-helixtrans-62.2-38.7-171.2-176.8-99.8000113.2T58 E59 L64 S65 T81 A82 A84 I85 N98T58-Y61 HydrophobicContact CG2-CD2 4.41Å; E59-Y61 VanDerWaalsContact C-N 3.27Å; E59-Y61 PolarHBondContact O-N 3.14Å; Y61-L64 WeakPolarHBondContact O-CB 3.37Å; Y61-L64 PolarHBondContact O-N 3.42Å; Y61-S65 WeakPolarHBondContact O-CB 3.2Å; Y61-S65 PolarHBondContact O-N 2.94Å; Y61-T81 PolarHBondContact OH-O 2.95Å; Y61-A82 VanDerWaalsContact CE1-O 3.31Å; Y61-A82 WeakPolarHBondContact CE1-O 3.25Å; Y61-A84 WeakPolarHBondContact OH-CA 3.32Å; Y61-A84 PolarHBondContact OH-N 3.25Å; Y61-A84 PolarHBondContact OH-O 2.95Å; Y61-A84 VanDerWaalsContact OH-O 3.08Å; Y61-I85 HydrophobicContact CE2-CD1 4.1Å; Y61-I85 HydrophobicContact CE2-CG1 3.92Å; Y61-N98 VanDerWaalsContact CB-CG 3.42Å; Y61-N98 HydrophobicContact CD1-CB 3.91Å; Y61-N98 HydrophobicContact CD2-CB 3.78Å; Y61-N98 HydrophobicContact CE2-CB 4.41Å; Y61-N98 HydrophobicContact CG-CB 3.5Å; Y61-N98 VanDerWaalsContact CG-CB 3.5Å
62E94.1Very high91.7Very high139 Ų13954.9 Ų54.965%0.6527%0.269SS*.Hα-helixtrans-63-45.9177-176.2175.7-175.400111.5A60 L64 S65 Q66A60-E62 VanDerWaalsContact C-N 3.34Å; A60-E62 PolarHBondContact O-N 3.37Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 2.75Å; E62-S65 PolarHBondContact O-N 3.24Å; E62-Q66 WeakPolarHBondContact O-CG 3.4Å; E62-Q66 PolarHBondContact O-N 2.99Å; E62-Q66 PolarHBondContact OE1-NE2 3.29Å
63A94.4Very high91.2Very high38 Ų3849.6 Ų49.631%0.31425%0.252SS..Hα-helixtrans-61.3-39.9175.700000111.6A60 N67A60-A63 HydrophobicContact CB-CB 4.45Å; A60-A63 PolarHBondContact O-N 2.81Å; A63-N67 WeakPolarHBondContact O-CB 3.39Å; A63-N67 PolarHBondContact O-N 3.02Å; A63-N67 PolarHBondContact O-ND2 3.38Å
64L93.7Very high90.6Very high1 Ų153 Ų531%0.00528%0.28CS..Hα-helixtrans-61.5-48173.517563.6000111.9I25 T58 A60 Y61 E62 Q66 N67 L68 I71 I85 I96I25-L64 HydrophobicContact CD1-CB 4.15Å; I25-L64 HydrophobicContact CD1-CD1 3.95Å; I25-L64 HydrophobicContact CG2-CB 4.08Å; I25-L64 HydrophobicContact CG2-CD1 4.29Å; T58-L64 HydrophobicContact CG2-CD2 4.1Å; A60-L64 PolarHBondContact O-N 3.41Å; Y61-L64 WeakPolarHBondContact O-CB 3.37Å; Y61-L64 PolarHBondContact O-N 3.42Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 2.75Å; L64-Q66 PolarHBondContact O-N 3.2Å; L64-N67 CarbonylContact O-C 3.56Å; L64-N67 PolarHBondContact O-N 3.18Å; L64-L68 WeakPolarHBondContact O-CA 3.5Å; L64-L68 PolarHBondContact O-N 2.81Å; L64-I71 HydrophobicContact CD1-CD1 3.48Å; L64-I71 VanDerWaalsContact CD1-CD1 3.48Å; L64-I85 HydrophobicContact CD2-CD1 4.01Å; L64-I85 HydrophobicContact CG-CD1 3.84Å; L64-I96 HydrophobicContact CD2-CB 3.81Å; L64-I96 HydrophobicContact CD2-CG1 4.26Å; L64-I96 HydrophobicContact CD2-CG2 3.54Å
65S92.7Very high90Very high55 Ų5560.3 Ų60.339%0.38532%0.318SS..Hα-helixtrans-60.6-45179.9-171.60000111.7Y61 E62 N67 L68Y61-S65 WeakPolarHBondContact O-CB 3.2Å; Y61-S65 PolarHBondContact O-N 2.94Å; E62-S65 PolarHBondContact O-N 3.24Å; S65-N67 VanDerWaalsContact C-N 3.32Å; S65-N67 PolarHBondContact O-N 3.04Å; S65-L68 WeakPolarHBondContact O-CB 3.33Å; S65-L68 PolarHBondContact O-N 3.47Å
66Q92.4Very high89.7Confident129 Ų12960.1 Ų60.160%0.60332%0.316SS*.Hα-helixtrans-66.4-31.4177.7-69.9173.92.300113.1E62 L64E62-Q66 WeakPolarHBondContact O-CG 3.4Å; E62-Q66 PolarHBondContact O-N 2.99Å; E62-Q66 PolarHBondContact OE1-NE2 3.29Å; L64-Q66 PolarHBondContact O-N 3.2Å
67N90.7Very high89.5Confident30 Ų3065.7 Ų65.716%0.1635%0.346CS..THydrogen-bonded Turntrans-98.96.9-179.2-72.5-81.6000113.7L23 I25 A63 L64 S65 T69 R70 I71L23-N67 HydrophobicContact CD1-CB 3.87Å; I25-N67 HydrophobicContact CD1-CB 4.42Å; A63-N67 WeakPolarHBondContact O-CB 3.39Å; A63-N67 PolarHBondContact O-N 3.02Å; A63-N67 PolarHBondContact O-ND2 3.38Å; L64-N67 CarbonylContact O-C 3.56Å; L64-N67 PolarHBondContact O-N 3.18Å; S65-N67 VanDerWaalsContact C-N 3.32Å; S65-N67 PolarHBondContact O-N 3.04Å; N67-T69 VanDerWaalsContact C-N 3.26Å; N67-T69 PolarHBondContact O-N 2.9Å; N67-R70 WeakPolarHBondContact O-CA 3.42Å; N67-R70 WeakPolarHBondContact O-CB 3.32Å; N67-R70 PolarHBondContact O-N 3.13Å; N67-R70 WeakPolarHBondContact OD1-CD 3.42Å; N67-R70 PolarHBondContact OD1-NH1 3.39Å; N67-I71 PolarHBondContact O-N 3.19Å
68L86.9Confident89.3Confident23 Ų2367.6 Ų67.612%0.1236%0.358CS..Hα-helixtrans-57.4-39.3-174-179.261.3000112.2L64 S65 R70 I71 K72 V78 I85L64-L68 WeakPolarHBondContact O-CA 3.5Å; L64-L68 PolarHBondContact O-N 2.81Å; S65-L68 WeakPolarHBondContact O-CB 3.33Å; S65-L68 PolarHBondContact O-N 3.47Å; L68-R70 PolarHBondContact O-N 3.24Å; L68-I71 PolarHBondContact O-N 3.1Å; L68-K72 WeakPolarHBondContact O-CB 3.34Å; L68-K72 PolarHBondContact O-N 3.12Å; L68-V78 HydrophobicContact CD1-CG1 4.21Å; L68-V78 HydrophobicContact CD2-CB 4.47Å; L68-V78 HydrophobicContact CD2-CG1 3.6Å; L68-V78 HydrophobicContact CG-CG1 4.35Å; L68-I85 HydrophobicContact CD1-CD1 4.49Å; L68-I85 HydrophobicContact CD1-CG2 3.93Å; L68-I85 HydrophobicContact CD2-CD1 4.35Å; L68-I85 HydrophobicContact CD2-CG2 4.19Å
69T85.9Confident89.2Confident117 Ų11769.4 Ų69.472%0.71837%0.37SS*.Hα-helixtrans-65.1-24.5177.153.30000113.6N67N67-T69 VanDerWaalsContact C-N 3.26Å; N67-T69 PolarHBondContact O-N 2.9Å
70R84.1Confident89.3Confident180 Ų18068.2 Ų68.268%0.67937%0.372SS*.Hα-helixtrans-82.7-27.2176-61.4178.6175.9174.3-8.5112.5L23 N67 L68L23-R70 HydrophobicContact CD1-CB 3.96Å; N67-R70 WeakPolarHBondContact O-CA 3.42Å; N67-R70 WeakPolarHBondContact O-CB 3.32Å; N67-R70 PolarHBondContact O-N 3.13Å; N67-R70 WeakPolarHBondContact OD1-CD 3.42Å; N67-R70 PolarHBondContact OD1-NH1 3.39Å; L68-R70 PolarHBondContact O-N 3.24Å
71I80.5Confident89.2Confident1 Ų170 Ų701%0.00538%0.38CS..Hα-helixtrans-83.8-36.1175.6-63166000110.6F16 R19 L23 I25 L64 N67 L68 C73 W76F16-I71 HydrophobicContact CD2-CG2 4.29Å; F16-I71 HydrophobicContact CE2-CG2 3.93Å; R19-I71 HydrophobicContact CB-CG2 3.97Å; R19-I71 WeakPolarHBondContact CD-O 3.3Å; L23-I71 HydrophobicContact CD1-CD1 3.85Å; L23-I71 HydrophobicContact CD1-CG1 3.32Å; L23-I71 HydrophobicContact CG-CG1 4.43Å; I25-I71 HydrophobicContact CD1-CD1 3.68Å; L64-I71 HydrophobicContact CD1-CD1 3.48Å; L64-I71 VanDerWaalsContact CD1-CD1 3.48Å; N67-I71 PolarHBondContact O-N 3.19Å; L68-I71 PolarHBondContact O-N 3.1Å; I71-C73 PolarHBondContact O-N 3.04Å; I71-W76 HydrophobicContact CG2-CZ3 4.13Å; I71-W76 WeakPolarHBondContact O-CZ3 3.23Å
72K78Confident89.1Confident89 Ų8973.8 Ų73.839%0.38741%0.414SS..  trans-65.8124.3-170.4-178.4-176.7-179.6-174.50112.2L68 W76 V78L68-K72 WeakPolarHBondContact O-CB 3.34Å; L68-K72 PolarHBondContact O-N 3.12Å; K72-W76 WeakPolarHBondContact CE-O 3.47Å; K72-W76 HydrophobicContact CG-CB 4.3Å; K72-V78 HydrophobicContact CD-CG2 3.91Å; K72-V78 HydrophobicContact CG-CG2 4.1Å
73C83Confident89.1Confident20 Ų2069.4 Ų69.414%0.13540%0.397CS..  trans-77.5149.8165.3-68.80000111.3R19 I71 L75 W76R19-C73 VanDerWaalsContact CZ-SG 3.52Å; I71-C73 PolarHBondContact O-N 3.04Å; C73-L75 PolarHBondContact O-N 2.9Å; C73-L75 VanDerWaalsContact O-N 3.07Å; C73-W76 HydrophobicContact CB-CD2 3.74Å; C73-W76 HydrophobicContact CB-CE3 4.34Å; C73-W76 HydrophobicContact CB-CG 3.9Å; C73-W76 HydrophobicContact CB-CZ2 4.13Å; C73-W76 WeakPolarHBondContact O-CB 3.49Å; C73-W76 PolarHBondContact O-N 2.81Å
74P82.5Confident89.2Confident133 Ų13367.7 Ų67.786%0.86438%0.383SS*.THydrogen-bonded Turntrans-54.8-30.5179.4-2835.2000114.6W76P74-W76 VanDerWaalsContact C-N 3.3Å; P74-W76 PolarHBondContact O-N 3.39Å
75L84.2Confident89.3Confident155 Ų15567.6 Ų67.681%0.81238%0.382SS*.THydrogen-bonded Turntrans-79.6-7.8-179.5-63.3175.4000114.1C73C73-L75 PolarHBondContact O-N 2.9Å; C73-L75 VanDerWaalsContact O-N 3.07Å
76W89.3Confident89.4Confident12 Ų1265 Ų655%0.04536%0.364CS..  trans-90.9127.7-175.2-63-1.5000110.6L12 D15 F16 I71 K72 C73 P74 V87 V89L12-W76 HydrophobicContact CD1-CZ2 3.94Å; D15-W76 WeakPolarHBondContact OD2-CZ2 3.47Å; F16-W76 HydrophobicContact CB-CH2 4.2Å; F16-W76 HydrophobicContact CD2-CE3 4.5Å; F16-W76 AromaticContact CD2-CH2 3.76Å; F16-W76 HydrophobicContact CD2-CH2 3.76Å; F16-W76 AromaticContact CD2-CZ3 3.59Å; F16-W76 HydrophobicContact CD2-CZ3 3.59Å; F16-W76 HydrophobicContact CE2-CZ3 4.14Å; F16-W76 HydrophobicContact CG-CH2 4.49Å; I71-W76 HydrophobicContact CG2-CZ3 4.13Å; I71-W76 WeakPolarHBondContact O-CZ3 3.23Å; K72-W76 WeakPolarHBondContact CE-O 3.47Å; K72-W76 HydrophobicContact CG-CB 4.3Å; C73-W76 HydrophobicContact CB-CD2 3.74Å; C73-W76 HydrophobicContact CB-CE3 4.34Å; C73-W76 HydrophobicContact CB-CG 3.9Å; C73-W76 HydrophobicContact CB-CZ2 4.13Å; C73-W76 WeakPolarHBondContact O-CB 3.49Å; C73-W76 PolarHBondContact O-N 2.81Å; P74-W76 VanDerWaalsContact C-N 3.3Å; P74-W76 PolarHBondContact O-N 3.39Å; W76-V87 HydrophobicContact CB-CG1 3.87Å; W76-V87 HydrophobicContact CD2-CG1 3.69Å; W76-V87 HydrophobicContact CE3-CG1 3.57Å; W76-V87 HydrophobicContact CG-CG1 3.85Å; W76-V87 HydrophobicContact CZ3-CG1 4.36Å; W76-V89 HydrophobicContact CB-CG2 4.47Å; W76-V89 HydrophobicContact CD2-CG2 4.31Å; W76-V89 HydrophobicContact CG-CG2 3.79Å
77N93Very high89.5Confident117 Ų11758.9 Ų58.963%0.62634%0.336SS*.EExtended strand (participates in β ladder)trans-85.1141.7163.8-72.2-31.7000108.4F88N77-F88 HydrophobicContact CB-CB 4.07Å; N77-F88 PolarHBondContact N-O 2.93Å; N77-F88 PolarHBondContact O-N 3.45Å
78V93Very high89.7Confident40 Ų4060 Ų6024%0.24234%0.339CS..EExtended strand (participates in β ladder)trans-133.2127.8-177.9-173.40000109.9L68 K72 I85 T86 V87L68-V78 HydrophobicContact CD1-CG1 4.21Å; L68-V78 HydrophobicContact CD2-CB 4.47Å; L68-V78 HydrophobicContact CD2-CG1 3.6Å; L68-V78 HydrophobicContact CG-CG1 4.35Å; K72-V78 HydrophobicContact CD-CG2 3.91Å; K72-V78 HydrophobicContact CG-CG2 4.1Å; V78-I85 HydrophobicContact CG1-CG2 3.65Å; V78-T86 WeakPolarHBondContact CA-O 3.21Å; V78-V87 HydrophobicContact CG2-CG2 4.3Å
79S94.1Very high89.9Confident38 Ų3860 Ų6027%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-100.8138.9164.4177.70000108.2I85 T86 E113S79-I85 CarbonylContact O-C 3.55Å; S79-I85 WeakPolarHBondContact O-CA 3.44Å; S79-T86 PolarHBondContact N-O 2.84Å; S79-T86 PolarHBondContact O-N 3.43Å; S79-E113 WeakPolarHBondContact CB-OE1 3.35Å; S79-E113 PolarHBondContact OG-OE1 2.99Å
80S92.9Very high90.1Very high73 Ų7362 Ų6251%0.5135%0.346SS..EExtended strand (participates in β ladder)trans-137.3136.4176.5600000110.5
81T93.5Very high90.4Very high67 Ų6758.3 Ų58.341%0.41134%0.34SS..  trans-122.4-176.8173.5660000109.7Y61 T83 A84Y61-T81 PolarHBondContact OH-O 2.95Å; T81-T83 PolarHBondContact O-N 3.26Å; T81-T83 PolarHBondContact OG1-N 2.93Å; T81-A84 PolarHBondContact N-O 3.02Å; T81-A84 PolarHBondContact OG1-N 2.82Å; T81-A84 PolarHBondContact OG1-O 3.27Å
82A91.9Very high91.1Very high92 Ų9259 Ų5976%0.7634%0.343SS*.SBendtrans-63.7-18.417300000113.4Y61Y61-A82 VanDerWaalsContact CE1-O 3.31Å; Y61-A82 WeakPolarHBondContact CE1-O 3.25Å
83T94.2Very high91.9Very high48 Ų4859.6 Ų59.629%0.29434%0.343SS..SBendtrans-132.6-9.9-169.651.60000115.1T81 V97 N98 P109T81-T83 PolarHBondContact O-N 3.26Å; T81-T83 PolarHBondContact OG1-N 2.93Å; T83-V97 WeakPolarHBondContact O-CA 3.49Å; T83-V97 VanDerWaalsContact O-CG2 3.31Å; T83-V97 WeakPolarHBondContact O-CG2 3.18Å; T83-N98 PolarHBondContact O-N 3.34Å; T83-P109 HydrophobicContact CG2-CB 4.39Å; T83-P109 HydrophobicContact CG2-CG 4.06Å
84A96.7Very high92.5Very high1 Ų158.7 Ų58.71%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-149.1143.6179.300000112.2Y61 T81 I96 V97 V111Y61-A84 WeakPolarHBondContact OH-CA 3.32Å; Y61-A84 PolarHBondContact OH-N 3.25Å; Y61-A84 PolarHBondContact OH-O 2.95Å; Y61-A84 VanDerWaalsContact OH-O 3.08Å; T81-A84 PolarHBondContact N-O 3.02Å; T81-A84 PolarHBondContact OG1-N 2.82Å; T81-A84 PolarHBondContact OG1-O 3.27Å; A84-I96 WeakPolarHBondContact CA-O 3.22Å; A84-V97 HydrophobicContact CB-CG2 4.49Å; A84-V111 HydrophobicContact CB-CG1 4.32Å; A84-V111 HydrophobicContact CB-CG2 4Å
85I95.7Very high93.2Very high0 Ų052.4 Ų52.40%030%0.296CS..EExtended strand (participates in β ladder)trans-114.5131.4167.5-65.7168.1000107.4Y61 L64 L68 V78 S79 V87 A95 I96Y61-I85 HydrophobicContact CE2-CD1 4.1Å; Y61-I85 HydrophobicContact CE2-CG1 3.92Å; L64-I85 HydrophobicContact CD2-CD1 4.01Å; L64-I85 HydrophobicContact CG-CD1 3.84Å; L68-I85 HydrophobicContact CD1-CD1 4.49Å; L68-I85 HydrophobicContact CD1-CG2 3.93Å; L68-I85 HydrophobicContact CD2-CD1 4.35Å; L68-I85 HydrophobicContact CD2-CG2 4.19Å; V78-I85 HydrophobicContact CG1-CG2 3.65Å; S79-I85 CarbonylContact O-C 3.55Å; S79-I85 WeakPolarHBondContact O-CA 3.44Å; I85-V87 HydrophobicContact CG2-CG2 4.44Å; I85-A95 CarbonylContact O-C 3.57Å; I85-A95 VanDerWaalsContact O-CA 3.32Å; I85-A95 WeakPolarHBondContact O-CA 3.45Å; I85-I96 PolarHBondContact N-O 2.81Å; I85-I96 PolarHBondContact O-N 2.84Å
86T95.9Very high93.8Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-121118.6174.8-54.90000109.6V78 S79 F88 R93 I94 E113 L114V78-T86 WeakPolarHBondContact CA-O 3.21Å; S79-T86 PolarHBondContact N-O 2.84Å; S79-T86 PolarHBondContact O-N 3.43Å; T86-F88 HydrophobicContact CG2-CD1 4.44Å; T86-F88 HydrophobicContact CG2-CD2 4.22Å; T86-F88 HydrophobicContact CG2-CE1 3.86Å; T86-F88 HydrophobicContact CG2-CE2 3.61Å; T86-F88 HydrophobicContact CG2-CZ 3.4Å; T86-F88 VanDerWaalsContact CG2-CZ 3.4Å; T86-F88 WeakPolarHBondContact O-CD2 3.45Å; T86-F88 VanDerWaalsContact O-CE2 3.32Å; T86-F88 WeakPolarHBondContact O-CE2 3.34Å; T86-R93 HydrophobicContact CG2-CB 4.42Å; T86-I94 WeakPolarHBondContact CA-O 3.5Å; T86-E113 HydrophobicContact CG2-CB 4.13Å; T86-L114 HydrophobicContact CG2-CD1 3.95Å
87V94.7Very high94.2Very high1 Ų144.4 Ų44.41%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-94.2127.9173.9-176.80000108.8F16 W76 V78 I85 V89 R93 I94F16-V87 HydrophobicContact CD2-CG2 4.46Å; F16-V87 HydrophobicContact CE2-CG2 3.83Å; W76-V87 HydrophobicContact CB-CG1 3.87Å; W76-V87 HydrophobicContact CD2-CG1 3.69Å; W76-V87 HydrophobicContact CE3-CG1 3.57Å; W76-V87 HydrophobicContact CG-CG1 3.85Å; W76-V87 HydrophobicContact CZ3-CG1 4.36Å; V78-V87 HydrophobicContact CG2-CG2 4.3Å; I85-V87 HydrophobicContact CG2-CG2 4.44Å; V87-V89 HydrophobicContact CG1-CG2 4.18Å; V87-R93 CarbonylContact O-C 3.59Å; V87-R93 WeakPolarHBondContact O-CA 3.41Å; V87-I94 HydrophobicContact CB-CB 4.38Å; V87-I94 PolarHBondContact N-O 2.85Å; V87-I94 PolarHBondContact O-N 3.35Å
88F94.7Very high94.3Very high54 Ų5440.3 Ų40.324%0.23723%0.233CC..EExtended strand (participates in β ladder)trans-113.4127.5179.8-56.5-96.4000109.7N77 T86 F92 R93 E113N77-F88 HydrophobicContact CB-CB 4.07Å; N77-F88 PolarHBondContact N-O 2.93Å; N77-F88 PolarHBondContact O-N 3.45Å; T86-F88 HydrophobicContact CG2-CD1 4.44Å; T86-F88 HydrophobicContact CG2-CD2 4.22Å; T86-F88 HydrophobicContact CG2-CE1 3.86Å; T86-F88 HydrophobicContact CG2-CE2 3.61Å; T86-F88 HydrophobicContact CG2-CZ 3.4Å; T86-F88 VanDerWaalsContact CG2-CZ 3.4Å; T86-F88 WeakPolarHBondContact O-CD2 3.45Å; T86-F88 VanDerWaalsContact O-CE2 3.32Å; T86-F88 WeakPolarHBondContact O-CE2 3.34Å; F88-F92 WeakPolarHBondContact CA-O 3.41Å; F88-R93 HydrophobicContact CD1-CG 3.88Å; F88-R93 HydrophobicContact CE1-CG 4.1Å; F88-E113 HydrophobicContact CZ-CB 4.08Å; F88-E113 HydrophobicContact CZ-CG 4.07Å
89V91.4Very high94.4Very high21 Ų2138.6 Ų38.613%0.12722%0.222CC..EExtended strand (participates in β ladder)trans-135.8103.3176.4-170.90000107.8L12 W76 V87 D91 F92L12-V89 HydrophobicContact CD1-CB 4.31Å; L12-V89 HydrophobicContact CD1-CG1 4.17Å; L12-V89 HydrophobicContact CD1-CG2 3.88Å; L12-V89 HydrophobicContact CD2-CB 3.56Å; L12-V89 HydrophobicContact CD2-CG1 3.92Å; L12-V89 HydrophobicContact CD2-CG2 3.75Å; L12-V89 HydrophobicContact CG-CG2 4.4Å; W76-V89 HydrophobicContact CB-CG2 4.47Å; W76-V89 HydrophobicContact CD2-CG2 4.31Å; W76-V89 HydrophobicContact CG-CG2 3.79Å; V87-V89 HydrophobicContact CG1-CG2 4.18Å; V89-D91 PolarHBondContact O-N 2.95Å; V89-F92 PolarHBondContact N-O 2.9Å; V89-F92 WeakPolarHBondContact O-CA 3.34Å; V89-F92 WeakPolarHBondContact O-CB 3.4Å; V89-F92 PolarHBondContact O-N 3.03Å
90N89.5Confident94.3Very high160 Ų16038.9 Ų38.986%0.85622%0.22SC*.THydrogen-bonded Turntrans53.4-120.5-169.8-54.8-38.5000111.1F92N90-F92 VanDerWaalsContact C-N 3.35Å
91D90.6Very high93.8Very high103 Ų10340.6 Ų40.655%0.55122%0.221SC*.THydrogen-bonded Turntrans-84.8-5.3176.267.8-36.8000113.5R52 V89R52-D91 VanDerWaalsContact CD-OD2 3.29Å; R52-D91 WeakPolarHBondContact CD-OD2 3.31Å; R52-D91 IonicContact NE-OD2 2.73Å; R52-D91 PolarHBondContact NE-OD2 3.25Å; V89-D91 PolarHBondContact O-N 2.95Å
92F93.8Very high93.3Very high14 Ų1442.1 Ų42.16%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-94.4139.9-175-153-82.8000112.6P10 L12 V13 K51 R52 I54 F88 V89 N90 I94P10-F92 HydrophobicContact CB-CE2 4.43Å; P10-F92 HydrophobicContact CB-CZ 4.49Å; P10-F92 HydrophobicContact CG-CE2 3.84Å; P10-F92 HydrophobicContact CG-CZ 3.86Å; L12-F92 HydrophobicContact CD2-CB 4Å; L12-F92 HydrophobicContact CD2-CD1 3.89Å; L12-F92 HydrophobicContact CD2-CG 4.07Å; V13-F92 HydrophobicContact CG2-CE1 3.61Å; V13-F92 HydrophobicContact CG2-CZ 3.76Å; K51-F92 WeakPolarHBondContact O-CE2 3Å; R52-F92 HydrophobicContact CB-CD2 4.34Å; R52-F92 CarbonylContact O-C 3.5Å; R52-F92 VanDerWaalsContact O-CA 3.29Å; R52-F92 WeakPolarHBondContact O-CA 3.32Å; I54-F92 HydrophobicContact CD1-CZ 4.46Å; I54-F92 HydrophobicContact CG1-CE1 3.97Å; I54-F92 HydrophobicContact CG1-CZ 3.77Å; F88-F92 WeakPolarHBondContact CA-O 3.41Å; V89-F92 PolarHBondContact N-O 2.9Å; V89-F92 WeakPolarHBondContact O-CA 3.34Å; V89-F92 WeakPolarHBondContact O-CB 3.4Å; V89-F92 PolarHBondContact O-N 3.03Å; N90-F92 VanDerWaalsContact C-N 3.35Å; F92-I94 HydrophobicContact CD1-CG1 3.97Å; F92-I94 HydrophobicContact CE1-CD1 4.46Å; F92-I94 HydrophobicContact CE1-CG1 3.81Å
93R95.5Very high92.4Very high102 Ų10246.9 Ų46.939%0.38522%0.217SC..EExtended strand (participates in β ladder)trans-124.4130.2179.8-54.3-180-170.9174.24.5111.3R52 Q53 I54 T86 V87 F88 E113 L114R52-R93 PolarHBondContact O-N 2.93Å; Q53-R93 CarbonylContact C-O 3.57Å; Q53-R93 WeakPolarHBondContact CA-O 3.47Å; Q53-R93 HydrophobicContact CB-CB 4.04Å; I54-R93 PolarHBondContact N-O 3.41Å; T86-R93 HydrophobicContact CG2-CB 4.42Å; V87-R93 CarbonylContact O-C 3.59Å; V87-R93 WeakPolarHBondContact O-CA 3.41Å; F88-R93 HydrophobicContact CD1-CG 3.88Å; F88-R93 HydrophobicContact CE1-CG 4.1Å; R93-E113 PolarHBondContact NH1-O 2.71Å; R93-L114 HydrophobicContact CB-CD1 4.28Å
94I95.5Very high91.8Very high2 Ų249.1 Ų49.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-118.7113169.2-58.8173.4000107.1L12 V13 F16 F56 T86 V87 F92 I96L12-I94 HydrophobicContact CG-CD1 4.28Å; V13-I94 HydrophobicContact CG2-CD1 4.04Å; V13-I94 HydrophobicContact CG2-CG1 4.36Å; F16-I94 HydrophobicContact CB-CD1 3.79Å; F16-I94 HydrophobicContact CD1-CD1 4.4Å; F16-I94 HydrophobicContact CD1-CG2 3.88Å; F16-I94 HydrophobicContact CD2-CD1 4.47Å; F16-I94 HydrophobicContact CE1-CG2 3.93Å; F16-I94 HydrophobicContact CG-CD1 3.96Å; F16-I94 HydrophobicContact CG-CG2 4.31Å; F16-I94 HydrophobicContact CZ-CG2 4.44Å; F56-I94 HydrophobicContact CD2-CG2 3.74Å; F56-I94 HydrophobicContact CE2-CG2 3.71Å; T86-I94 WeakPolarHBondContact CA-O 3.5Å; V87-I94 HydrophobicContact CB-CB 4.38Å; V87-I94 PolarHBondContact N-O 2.85Å; V87-I94 PolarHBondContact O-N 3.35Å; F92-I94 HydrophobicContact CD1-CG1 3.97Å; F92-I94 HydrophobicContact CE1-CD1 4.46Å; F92-I94 HydrophobicContact CE1-CG1 3.81Å; I94-I96 HydrophobicContact CG2-CD1 4.17Å
95A97.1Very high91.4Very high0 Ų049 Ų490%022%0.22CC..EExtended strand (participates in β ladder)trans-103.3144.2174.500000111.5I54 L55 F56 I85 V111 L114I54-A95 PolarHBondContact O-N 3.02Å; L55-A95 HydrophobicContact CD1-CB 3.87Å; F56-A95 PolarHBondContact N-O 2.92Å; I85-A95 CarbonylContact O-C 3.57Å; I85-A95 VanDerWaalsContact O-CA 3.32Å; I85-A95 WeakPolarHBondContact O-CA 3.45Å; A95-V111 HydrophobicContact CB-CG1 3.86Å; A95-L114 HydrophobicContact CB-CD1 3.56Å; A95-L114 HydrophobicContact CB-CD2 3.46Å; A95-L114 VanDerWaalsContact CB-CD2 3.46Å; A95-L114 HydrophobicContact CB-CG 4.13Å
96I97.3Very high91.1Very high0 Ų049.2 Ų49.20%022%0.22CC..EExtended strand (participates in β ladder)trans-129.5115.8174.7-48.287.8000107.5F16 L27 F56 T58 L64 A84 I85 I94F16-I96 HydrophobicContact CE1-CD1 3.75Å; F16-I96 HydrophobicContact CE1-CG1 3.92Å; F16-I96 HydrophobicContact CE2-CD1 4.23Å; F16-I96 HydrophobicContact CZ-CD1 3.32Å; F16-I96 HydrophobicContact CZ-CG1 3.91Å; L27-I96 HydrophobicContact CD2-CG1 4.39Å; L27-I96 HydrophobicContact CD2-CG2 3.7Å; F56-I96 HydrophobicContact CB-CG1 4.36Å; F56-I96 HydrophobicContact CB-CG2 4.43Å; F56-I96 WeakPolarHBondContact O-CA 3.47Å; T58-I96 HydrophobicContact CG2-CG2 3.84Å; L64-I96 HydrophobicContact CD2-CB 3.81Å; L64-I96 HydrophobicContact CD2-CG1 4.26Å; L64-I96 HydrophobicContact CD2-CG2 3.54Å; A84-I96 WeakPolarHBondContact CA-O 3.22Å; I85-I96 PolarHBondContact N-O 2.81Å; I85-I96 PolarHBondContact O-N 2.84Å; I94-I96 HydrophobicContact CG2-CD1 4.17Å
97V97.1Very high91Very high0 Ų049.8 Ų49.80%022%0.223CC..EExtended strand (participates in β ladder)trans-101.6146-179.772.70000111.3L30 L55 F56 G57 T58 T83 A84 I99 I108 P109 V111L30-V97 HydrophobicContact CD1-CG1 3.7Å; L55-V97 HydrophobicContact CD1-CB 4.36Å; L55-V97 HydrophobicContact CD1-CG1 4.25Å; F56-V97 WeakPolarHBondContact O-CG1 3.31Å; F56-V97 PolarHBondContact O-N 3.26Å; G57-V97 CarbonylContact C-O 3.54Å; G57-V97 WeakPolarHBondContact CA-O 3.44Å; T58-V97 PolarHBondContact N-O 3.28Å; T83-V97 WeakPolarHBondContact O-CA 3.49Å; T83-V97 VanDerWaalsContact O-CG2 3.31Å; T83-V97 WeakPolarHBondContact O-CG2 3.18Å; A84-V97 HydrophobicContact CB-CG2 4.49Å; V97-I99 PolarHBondContact O-N 3.2Å; V97-I108 HydrophobicContact CG1-CG2 3.67Å; V97-P109 HydrophobicContact CG2-CB 3.79Å; V97-P109 HydrophobicContact CG2-CG 4Å; V97-V111 HydrophobicContact CB-CG2 4.05Å; V97-V111 HydrophobicContact CG2-CG2 4.11Å
98N96Very high91Very high31 Ų3149.9 Ų49.917%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-70.6110.9170.9-169.8-3.9000110.1Y61 T83 L100 P109Y61-N98 VanDerWaalsContact CB-CG 3.42Å; Y61-N98 HydrophobicContact CD1-CB 3.91Å; Y61-N98 HydrophobicContact CD2-CB 3.78Å; Y61-N98 HydrophobicContact CE2-CB 4.41Å; Y61-N98 HydrophobicContact CG-CB 3.5Å; Y61-N98 VanDerWaalsContact CG-CB 3.5Å; T83-N98 PolarHBondContact O-N 3.34Å; N98-L100 HydrophobicContact CB-CD2 4.35Å; N98-L100 WeakPolarHBondContact ND2-CD2 3.21Å; N98-L100 PolarHBondContact O-N 2.87Å; N98-L100 VanDerWaalsContact O-N 3.17Å; N98-P109 WeakPolarHBondContact O-CD 3.23Å
99I94.1Very high91Very high4 Ų448 Ų482%0.02122%0.217CC..  trans-75.8104.1172.1-59174000107.3L30 T58 E59 V97 Q101 W106L30-I99 HydrophobicContact CD1-CD1 4.19Å; L30-I99 HydrophobicContact CD1-CG1 4.15Å; T58-I99 PolarHBondContact O-N 2.7Å; E59-I99 HydrophobicContact CG-CB 4.06Å; E59-I99 HydrophobicContact CG-CG2 4.34Å; V97-I99 PolarHBondContact O-N 3.2Å; I99-Q101 PolarHBondContact O-N 2.81Å; I99-W106 HydrophobicContact CG2-CD2 3.92Å; I99-W106 HydrophobicContact CG2-CE3 4.11Å; I99-W106 HydrophobicContact CG2-CG 4.17Å
100L91.5Very high91.2Very high43 Ų4348.9 Ų48.923%0.22523%0.226CC..EExtended strand (participates in β ladder)trans-83.5112.3-178.8-60.5175.6000109.5N98 R102 L107 P109N98-L100 HydrophobicContact CB-CD2 4.35Å; N98-L100 WeakPolarHBondContact ND2-CD2 3.21Å; N98-L100 PolarHBondContact O-N 2.87Å; N98-L100 VanDerWaalsContact O-N 3.17Å; L100-R102 PolarHBondContact O-N 3.2Å; L100-L107 HydrophobicContact CB-CB 4.15Å; L100-L107 HydrophobicContact CD1-CD2 4.02Å; L100-L107 HydrophobicContact CD1-CG 4.47Å; L100-L107 PolarHBondContact N-O 2.98Å; L100-L107 PolarHBondContact O-N 2.94Å; L100-P109 HydrophobicContact CD1-CG 3.99Å; L100-P109 HydrophobicContact CG-CG 4.37Å
101Q83.7Confident91.5Very high110 Ų11041.2 Ų41.251%0.51419%0.185SC..EExtended strand (participates in β ladder)trans-77.1101.5169.3-68.7-158.83.800110.2E59 I99E59-Q101 PolarHBondContact OE1-NE2 2.95Å; E59-Q101 PolarHBondContact OE2-NE2 2.83Å; E59-Q101 VanDerWaalsContact OE2-NE2 3.13Å; I99-Q101 PolarHBondContact O-N 2.81Å
102R82.3Confident91.6Very high98 Ų9843.4 Ų43.437%0.3720%0.196SC..EExtended strand (participates in β ladder)trans-83.3166.3167.6-62-68.9-176.1167.8-0.4109.5L100 R104 H105 L107L100-R102 PolarHBondContact O-N 3.2Å; R102-R104 PolarHBondContact O-N 3.08Å; R102-H105 WeakPolarHBondContact CA-O 3.27Å; R102-H105 VanDerWaalsContact CB-CE1 3.45Å; R102-H105 WeakPolarHBondContact CB-CE1 3.42Å; R102-H105 WeakPolarHBondContact CB-O 3.25Å; R102-H105 PolarHBondContact N-O 3.4Å; R102-H105 PolarHBondContact O-N 2.98Å; R102-L107 HydrophobicContact CG-CB 4.25Å
103R73.8Confident91.6Very high192 Ų19245 Ų4573%0.72520%0.204SC*.THydrogen-bonded Turntrans-45-47.5-172.7-172.6178.2180167-1.7112.9K124R103-K124 VanDerWaalsContact O-CE 3.31Å; R103-K124 WeakPolarHBondContact O-CE 3.37Å; R103-K124 PolarHBondContact O-NZ 3.33Å
104R79.9Confident91.5Very high95 Ų9540.4 Ų40.436%0.35819%0.187SC..THydrogen-bonded Turntrans-126.811.5-176.5-55.5-156.2-171.6144.5-2.5115R102 D187 E316R102-R104 PolarHBondContact O-N 3.08Å; R104-D187 IonicContact CZ-OD1 3.97Å; R104-D187 IonicContact NH1-OD1 3.65Å; R104-D187 PolarHBondContact NH1-OD1 2.89Å; R104-D187 IonicContact NH2-OD1 3.55Å; R104-D187 PolarHBondContact NH2-OD1 2.9Å; R104-E316 WeakPolarHBondContact CD-OE1 3.5Å; R104-E316 IonicContact CZ-OE1 3.93Å; R104-E316 IonicContact NE-OE1 2.77Å; R104-E316 PolarHBondContact NE-OE1 3.15Å; R104-E316 IonicContact NH1-OE1 2.61Å; R104-E316 PolarHBondContact NH1-OE1 3.46Å; R104-E316 IonicContact NH1-OE2 2.7Å
105H88.3Confident91.4Very high0 Ų047.7 Ų47.70%023%0.226CC..EExtended strand (participates in β ladder)trans-156.8161.8-178.165-89.7000112.7R102 L121 E312 L317R102-H105 WeakPolarHBondContact CA-O 3.27Å; R102-H105 VanDerWaalsContact CB-CE1 3.45Å; R102-H105 WeakPolarHBondContact CB-CE1 3.42Å; R102-H105 WeakPolarHBondContact CB-O 3.25Å; R102-H105 PolarHBondContact N-O 3.4Å; R102-H105 PolarHBondContact O-N 2.98Å; H105-L121 CarbonylContact C-O 2.85Å; H105-L121 VanDerWaalsContact CA-O 3.3Å; H105-L121 WeakPolarHBondContact CA-O 3.4Å; H105-L121 WeakPolarHBondContact CB-O 3.05Å; H105-E312 IonicContact CE1-OE2 3.57Å; H105-E312 PolarHBondContact CE1-OE2 3.24Å; H105-E312 IonicContact NE2-OE2 2.87Å; H105-E312 PolarHBondContact NE2-OE2 2.7Å; H105-L317 HydrophobicContact CB-CB 4.37Å; H105-L317 HydrophobicContact CB-CD2 4.12Å
106W90Very high91.3Very high4 Ų449.6 Ų49.62%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-87.4136.3165.7-79.26.7000110I99 A120 L121 Y125 T127 F147I99-W106 HydrophobicContact CG2-CD2 3.92Å; I99-W106 HydrophobicContact CG2-CE3 4.11Å; I99-W106 HydrophobicContact CG2-CG 4.17Å; W106-A120 CarbonylContact O-C 3.56Å; W106-A120 VanDerWaalsContact O-CA 3.23Å; W106-A120 WeakPolarHBondContact O-CA 3.45Å; W106-L121 HydrophobicContact CB-CD1 4.39Å; W106-L121 PolarHBondContact N-O 2.84Å; W106-L121 PolarHBondContact O-N 3.3Å; W106-Y125 WeakPolarHBondContact CH2-O 3.32Å; W106-Y125 WeakPolarHBondContact CZ2-O 3.3Å; W106-T127 HydrophobicContact CH2-CG2 4.08Å; W106-F147 HydrophobicContact CE3-CE2 4.39Å; W106-F147 HydrophobicContact CZ3-CE2 4.29Å
107L93.7Very high91.1Very high11 Ų1152.4 Ų52.46%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-116.6122.1167.4175.467.3000108.5L100 R102 P109 A120 F156L100-L107 HydrophobicContact CB-CB 4.15Å; L100-L107 HydrophobicContact CD1-CD2 4.02Å; L100-L107 HydrophobicContact CD1-CG 4.47Å; L100-L107 PolarHBondContact N-O 2.98Å; L100-L107 PolarHBondContact O-N 2.94Å; R102-L107 HydrophobicContact CG-CB 4.25Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å; L107-A120 HydrophobicContact CD1-CB 4.27Å; L107-F156 HydrophobicContact CD1-CB 4.37Å; L107-F156 HydrophobicContact CD1-CD1 3.72Å; L107-F156 HydrophobicContact CD1-CD2 4.25Å; L107-F156 HydrophobicContact CD1-CE1 3.97Å; L107-F156 HydrophobicContact CD1-CE2 4.45Å; L107-F156 HydrophobicContact CD1-CG 3.85Å; L107-F156 HydrophobicContact CD1-CZ 4.33Å
108I94.9Very high91.1Very high4 Ų453.3 Ų53.32%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-108.1104.5176-58.8171.6000106.1L30 V97 A118 L119 L121L30-I108 HydrophobicContact CD1-CD1 3.99Å; L30-I108 HydrophobicContact CD1-CG1 4.33Å; L30-I108 HydrophobicContact CD1-CG2 3.9Å; L30-I108 HydrophobicContact CD2-CD1 4.01Å; V97-I108 HydrophobicContact CG1-CG2 3.67Å; I108-A118 CarbonylContact O-C 3.56Å; I108-A118 VanDerWaalsContact O-CA 3.24Å; I108-A118 WeakPolarHBondContact O-CA 3.41Å; I108-L119 HydrophobicContact CB-CB 4.22Å; I108-L119 PolarHBondContact N-O 2.92Å; I108-L119 PolarHBondContact O-N 3.24Å; I108-L121 HydrophobicContact CD1-CD1 3.66Å; I108-L121 HydrophobicContact CG1-CD1 4.29Å
109P95.5Very high91.1Very high15 Ų1553.3 Ų53.310%0.09726%0.264CS..  trans-55.6155.5177-27.834.5000113.9T83 V97 N98 L100 L107T83-P109 HydrophobicContact CG2-CB 4.39Å; T83-P109 HydrophobicContact CG2-CG 4.06Å; V97-P109 HydrophobicContact CG2-CB 3.79Å; V97-P109 HydrophobicContact CG2-CG 4Å; N98-P109 WeakPolarHBondContact O-CD 3.23Å; L100-P109 HydrophobicContact CD1-CG 3.99Å; L100-P109 HydrophobicContact CG-CG 4.37Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å
110A95.2Very high91.2Very high38 Ų3853.1 Ų53.131%0.31426%0.263SS..  trans-63.6146.4169.200000110.6T116 A118A110-T116 WeakPolarHBondContact CA-O 3.19Å; A110-T116 VanDerWaalsContact CB-O 3.22Å; A110-T116 WeakPolarHBondContact CB-O 3.37Å; A110-A118 HydrophobicContact CB-CB 4.27Å
111V95.7Very high91.3Very high0 Ų051 Ų510%025%0.253CS..BIsolated β-bridgetrans-117.5100.5169.4-173.80000107.5L55 A84 A95 V97 E113 L114 N115 T116L55-V111 HydrophobicContact CD1-CG2 3.8Å; A84-V111 HydrophobicContact CB-CG1 4.32Å; A84-V111 HydrophobicContact CB-CG2 4Å; A95-V111 HydrophobicContact CB-CG1 3.86Å; V97-V111 HydrophobicContact CB-CG2 4.05Å; V97-V111 HydrophobicContact CG2-CG2 4.11Å; V111-E113 PolarHBondContact O-N 2.94Å; V111-L114 HydrophobicContact CB-CB 4.29Å; V111-L114 HydrophobicContact CG1-CB 4.19Å; V111-L114 HydrophobicContact CG1-CD1 3.92Å; V111-L114 HydrophobicContact CG1-CG 4.48Å; V111-L114 CarbonylContact O-C 3.6Å; V111-L114 PolarHBondContact O-N 3.06Å; V111-N115 PolarHBondContact O-N 2.8Å; V111-N115 VanDerWaalsContact O-N 3.1Å; V111-T116 WeakPolarHBondContact CB-OG1 3.45Å; V111-T116 PolarHBondContact N-OG1 2.91Å; V111-T116 PolarHBondContact O-N 2.73Å; V111-T116 PolarHBondContact O-OG1 3.36Å
112L92.6Very high91.5Very high149 Ų14950.6 Ų50.678%0.7825%0.246SC*.G310 helixtrans-58.5-39.6-174.6-66.1176.5000111.5L114 N115L112-L114 PolarHBondContact O-N 3.43Å; L112-N115 PolarHBondContact O-N 3.29Å
113E93.6Very high91.4Very high47 Ų4749.8 Ų49.822%0.2225%0.246CC..G310 helixtrans-68.6-14.6-179.1-57.599.2138.400113.4S79 T86 F88 R93 V111S79-E113 WeakPolarHBondContact CB-OE1 3.35Å; S79-E113 PolarHBondContact OG-OE1 2.99Å; T86-E113 HydrophobicContact CG2-CB 4.13Å; F88-E113 HydrophobicContact CZ-CB 4.08Å; F88-E113 HydrophobicContact CZ-CG 4.07Å; R93-E113 PolarHBondContact NH1-O 2.71Å; V111-E113 PolarHBondContact O-N 2.94Å
114L94.3Very high91.5Very high6 Ų646.3 Ų46.33%0.03124%0.237CC..G310 helixtrans-108.60.4173.5-8565.5000112.6Q53 L55 T86 R93 A95 V111 L112 T116Q53-L114 HydrophobicContact CB-CD2 4.41Å; Q53-L114 HydrophobicContact CB-CG 4.2Å; Q53-L114 PolarHBondContact NE2-O 2.8Å; Q53-L114 VanDerWaalsContact NE2-O 3.12Å; L55-L114 HydrophobicContact CB-CD2 4.1Å; L55-L114 HydrophobicContact CD1-CD2 4.32Å; T86-L114 HydrophobicContact CG2-CD1 3.95Å; R93-L114 HydrophobicContact CB-CD1 4.28Å; A95-L114 HydrophobicContact CB-CD1 3.56Å; A95-L114 HydrophobicContact CB-CD2 3.46Å; A95-L114 VanDerWaalsContact CB-CD2 3.46Å; A95-L114 HydrophobicContact CB-CG 4.13Å; V111-L114 HydrophobicContact CB-CB 4.29Å; V111-L114 HydrophobicContact CG1-CB 4.19Å; V111-L114 HydrophobicContact CG1-CD1 3.92Å; V111-L114 HydrophobicContact CG1-CG 4.48Å; V111-L114 CarbonylContact O-C 3.6Å; V111-L114 PolarHBondContact O-N 3.06Å; L112-L114 PolarHBondContact O-N 3.43Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 HydrophobicContact CB-CG2 3.86Å; L114-T116 PolarHBondContact O-N 2.67Å
115N93.7Very high91.8Very high155 Ų15542.4 Ų42.483%0.82922%0.222SC*.THydrogen-bonded Turntrans5342.2-173.7-166.639.6000112.8V111 L112V111-N115 PolarHBondContact O-N 2.8Å; V111-N115 VanDerWaalsContact O-N 3.1Å; L112-N115 PolarHBondContact O-N 3.29Å
116T93.2Very high91.9Very high40 Ų4045.3 Ų45.325%0.24524%0.243CC..BIsolated β-bridgetrans-97.8139.3177.962.30000110.7L55 A110 V111 L114L55-T116 HydrophobicContact CD2-CG2 4.36Å; A110-T116 WeakPolarHBondContact CA-O 3.19Å; A110-T116 VanDerWaalsContact CB-O 3.22Å; A110-T116 WeakPolarHBondContact CB-O 3.37Å; V111-T116 WeakPolarHBondContact CB-OG1 3.45Å; V111-T116 PolarHBondContact N-OG1 2.91Å; V111-T116 PolarHBondContact O-N 2.73Å; V111-T116 PolarHBondContact O-OG1 3.36Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 HydrophobicContact CB-CG2 3.86Å; L114-T116 PolarHBondContact O-N 2.67Å
117S94.4Very high91.9Very high59 Ų5948 Ų4841%0.41326%0.259SS..PPolyproline II helixtrans-74.2153.4169.4-56.20000110.9
118A96.3Very high91.8Very high19 Ų1953.4 Ų53.416%0.15728%0.279CS..PPolyproline II helixtrans-64.5145.116700000109.5I108 A110 F156I108-A118 CarbonylContact O-C 3.56Å; I108-A118 VanDerWaalsContact O-CA 3.24Å; I108-A118 WeakPolarHBondContact O-CA 3.41Å; A110-A118 HydrophobicContact CB-CB 4.27Å; A118-F156 HydrophobicContact CB-CB 4.11Å; A118-F156 HydrophobicContact CB-CD1 4.29Å; A118-F156 PolarHBondContact O-N 2.66Å
119L96Very high91.5Very high30 Ų3057 Ų5716%0.15729%0.294CS..EExtended strand (participates in β ladder)trans-126.2140.6179.3-50.2178.3000109.9I108 L121 M151 S154I108-L119 HydrophobicContact CB-CB 4.22Å; I108-L119 PolarHBondContact N-O 2.92Å; I108-L119 PolarHBondContact O-N 3.24Å; L119-L121 HydrophobicContact CB-CD1 4.47Å; L119-M151 HydrophobicContact CD1-CE 3.92Å; L119-S154 CarbonylContact C-O 3.56Å; L119-S154 VanDerWaalsContact CA-O 3.25Å; L119-S154 WeakPolarHBondContact CA-O 3.49Å
120A95.9Very high90.9Very high0 Ų056.3 Ų56.30%029%0.29CS..EExtended strand (participates in β ladder)trans-125.7129170.300000110.7W106 L107 S154 F156 K310 L317W106-A120 CarbonylContact O-C 3.56Å; W106-A120 VanDerWaalsContact O-CA 3.23Å; W106-A120 WeakPolarHBondContact O-CA 3.45Å; L107-A120 HydrophobicContact CD1-CB 4.27Å; A120-S154 PolarHBondContact N-O 2.87Å; A120-S154 WeakPolarHBondContact O-CB 3.46Å; A120-F156 HydrophobicContact CB-CB 4.01Å; A120-F156 HydrophobicContact CB-CD2 3.45Å; A120-F156 VanDerWaalsContact CB-CD2 3.45Å; A120-F156 HydrophobicContact CB-CE2 4.2Å; A120-F156 HydrophobicContact CB-CG 4.01Å; A120-K310 HydrophobicContact CB-CB 4.08Å; A120-L317 HydrophobicContact CB-CD1 3.59Å; A120-L317 HydrophobicContact CB-CD2 4.02Å; A120-L317 HydrophobicContact CB-CG 4.47Å
121L94.1Very high89.6Confident0 Ų060.6 Ų60.60%031%0.307CS..EExtended strand (participates in β ladder)trans-120.3123.3-177.7-54.797.9000109.8H105 W106 I108 L119 Y125 F147 E150 M151H105-L121 CarbonylContact C-O 2.85Å; H105-L121 VanDerWaalsContact CA-O 3.3Å; H105-L121 WeakPolarHBondContact CA-O 3.4Å; H105-L121 WeakPolarHBondContact CB-O 3.05Å; W106-L121 HydrophobicContact CB-CD1 4.39Å; W106-L121 PolarHBondContact N-O 2.84Å; W106-L121 PolarHBondContact O-N 3.3Å; I108-L121 HydrophobicContact CD1-CD1 3.66Å; I108-L121 HydrophobicContact CG1-CD1 4.29Å; L119-L121 HydrophobicContact CB-CD1 4.47Å; L121-Y125 HydrophobicContact CB-CD2 4.44Å; L121-Y125 HydrophobicContact CB-CE2 4.07Å; L121-Y125 HydrophobicContact CD2-CD2 4.32Å; L121-Y125 HydrophobicContact CD2-CE2 3.77Å; L121-F147 HydrophobicContact CD1-CE2 4.22Å; L121-F147 HydrophobicContact CD2-CD2 3.63Å; L121-F147 HydrophobicContact CD2-CE2 3.45Å; L121-F147 VanDerWaalsContact CD2-CE2 3.45Å; L121-F147 HydrophobicContact CD2-CZ 4.21Å; L121-F147 HydrophobicContact CG-CE2 4.48Å; L121-E150 HydrophobicContact CB-CG 4.37Å; L121-E150 HydrophobicContact CD2-CB 4.34Å; L121-E150 HydrophobicContact CD2-CG 4.17Å; L121-E150 HydrophobicContact CG-CG 4.48Å; L121-M151 HydrophobicContact CD2-CG 4.13Å
122R87.1Confident88Confident101 Ų10161.8 Ų61.838%0.38132%0.315SS..SBendtrans-64.4-38.4-178.7-166.6-178.266.4105.59.3111.6E150 D194 L317R122-E150 WeakPolarHBondContact CA-OE1 3.42Å; R122-E150 VanDerWaalsContact CB-OE1 3.31Å; R122-E150 WeakPolarHBondContact CB-OE1 3.31Å; R122-E150 PolarHBondContact N-OE1 3.2Å; R122-D194 IonicContact NH1-OD1 3.6Å; R122-D194 PolarHBondContact NH1-OD1 3.38Å; R122-L317 HydrophobicContact CB-CD2 4.11Å
123Q82Confident86.2Confident80 Ų8059.3 Ų59.337%0.37432%0.316SS..SBendtrans-73.9131.7175.8-67.4179.854.400110.4Y125 E150Q123-Y125 HydrophobicContact CB-CD2 4.01Å; Q123-Y125 HydrophobicContact CB-CE1 4.26Å; Q123-Y125 HydrophobicContact CB-CE2 3.56Å; Q123-Y125 WeakPolarHBondContact O-CD2 3.42Å; Q123-Y125 PolarHBondContact O-N 3.25Å; Q123-Y125 VanDerWaalsContact O-N 3.1Å; Q123-E150 WeakPolarHBondContact CG-OE2 3.38Å; Q123-E150 PolarHBondContact NE2-OE2 3.11Å
124K76.1Confident84.5Confident120 Ų12063.6 Ų63.652%0.52234%0.336SS..  trans-75.895.2163.6-68-170.7-178.4-173.70107.7R103R103-K124 VanDerWaalsContact O-CE 3.31Å; R103-K124 WeakPolarHBondContact O-CE 3.37Å; R103-K124 PolarHBondContact O-NZ 3.33Å
125Y86.3Confident83.4Confident12 Ų1268.6 Ų68.65%0.04736%0.363CS..PPolyproline II helixtrans-70.1143.3177.6-71.2-82.8000110.2W106 L121 Q123 A146 F147 E150W106-Y125 WeakPolarHBondContact CH2-O 3.32Å; W106-Y125 WeakPolarHBondContact CZ2-O 3.3Å; L121-Y125 HydrophobicContact CB-CD2 4.44Å; L121-Y125 HydrophobicContact CB-CE2 4.07Å; L121-Y125 HydrophobicContact CD2-CD2 4.32Å; L121-Y125 HydrophobicContact CD2-CE2 3.77Å; Q123-Y125 HydrophobicContact CB-CD2 4.01Å; Q123-Y125 HydrophobicContact CB-CE1 4.26Å; Q123-Y125 HydrophobicContact CB-CE2 3.56Å; Q123-Y125 WeakPolarHBondContact O-CD2 3.42Å; Q123-Y125 PolarHBondContact O-N 3.25Å; Q123-Y125 VanDerWaalsContact O-N 3.1Å; Y125-A146 HydrophobicContact CE1-CB 4.08Å; Y125-A146 VanDerWaalsContact OH-C 3.24Å; Y125-A146 PolarHBondContact OH-O 3.1Å; Y125-A146 VanDerWaalsContact OH-O 3.11Å; Y125-F147 HydrophobicContact CD1-CB 3.97Å; Y125-F147 HydrophobicContact CD1-CD2 4.12Å; Y125-F147 AromaticContact CD2-CD2 3.53Å; Y125-F147 HydrophobicContact CD2-CD2 3.53Å; Y125-F147 HydrophobicContact CD2-CE2 4.17Å; Y125-F147 HydrophobicContact CE1-CB 3.68Å; Y125-F147 HydrophobicContact CE1-CD2 4.27Å; Y125-F147 HydrophobicContact CE2-CB 4.41Å; Y125-F147 AromaticContact CE2-CD2 3.66Å; Y125-F147 HydrophobicContact CE2-CD2 3.66Å; Y125-F147 HydrophobicContact CE2-CE2 4.47Å; Y125-F147 HydrophobicContact CG-CB 4.46Å; Y125-F147 AromaticContact CG-CD2 3.75Å; Y125-F147 HydrophobicContact CG-CD2 3.75Å; Y125-F147 VanDerWaalsContact CZ-CA 3.45Å; Y125-F147 WeakPolarHBondContact OH-CA 2.94Å; Y125-F147 PolarHBondContact OH-N 3.33Å; Y125-E150 WeakPolarHBondContact OH-CB 3.46Å; Y125-E150 PolarHBondContact OH-OE2 2.8Å
126S89Confident82.7Confident62 Ų6261.5 Ų61.543%0.43433%0.325SS..EExtended strand (participates in β ladder)trans-84.1156.316563.60000109.1F142S126-F142 PolarHBondContact N-O 2.87Å; S126-F142 PolarHBondContact O-N 3.17Å; S126-F142 PolarHBondContact OG-O 3.29Å; S126-F142 VanDerWaalsContact OG-O 3.11Å
127T91.4Very high82.4Confident60 Ų6061.5 Ų61.537%0.36832%0.322SS..EExtended strand (participates in β ladder)trans-101.7134.7171.3560000110T28 W106 Y140T28-T127 HydrophobicContact CG2-CG2 3.96Å; T28-T127 WeakPolarHBondContact OG1-CG2 3.33Å; W106-T127 HydrophobicContact CH2-CG2 4.08Å; T127-Y140 WeakPolarHBondContact CA-O 3.15Å
128R91.3Very high82.3Confident124 Ų12458.7 Ų58.747%0.46830%0.302SS..EExtended strand (participates in β ladder)trans-109.4140.5170.9-77.4-168.8177.7-169.4-3.3110.6Y139 Y140 F142R128-Y139 CarbonylContact O-C 3.51Å; R128-Y139 VanDerWaalsContact O-CA 3.23Å; R128-Y139 WeakPolarHBondContact O-CA 3.25Å; R128-Y140 HydrophobicContact CB-CD1 4.38Å; R128-Y140 HydrophobicContact CB-CE1 3.71Å; R128-Y140 HydrophobicContact CB-CE2 4.39Å; R128-Y140 PolarHBondContact N-O 3.2Å; R128-Y140 WeakPolarHBondContact O-CD1 3.09Å; R128-Y140 WeakPolarHBondContact O-CE1 3.24Å; R128-Y140 PolarHBondContact O-N 3.41Å; R128-F142 HydrophobicContact CB-CB 4.28Å; R128-F142 VanDerWaalsContact CD-CD2 3.48Å; R128-F142 HydrophobicContact CG-CB 3.76Å; R128-F142 HydrophobicContact CG-CD1 4.37Å; R128-F142 HydrophobicContact CG-CD2 4.24Å; R128-F142 HydrophobicContact CG-CG 3.85Å; R128-F142 VanDerWaalsContact CZ-CE1 3.42Å; R128-F142 VanDerWaalsContact CZ-CE2 3.49Å; R128-F142 VanDerWaalsContact NH2-CE1 3.33Å
129K88.5Confident82.2Confident79 Ų7960.3 Ų60.334%0.34331%0.305SS..EExtended strand (participates in β ladder)trans-64.2136.8172.7-171.3176.4179-176.10109.3N131 Y139K129-N131 VanDerWaalsContact C-N 3.28Å; K129-N131 PolarHBondContact O-N 2.87Å; K129-Y139 HydrophobicContact CB-CD1 4.21Å; K129-Y139 HydrophobicContact CB-CE1 4Å
130F81.4Confident82.1Confident2 Ų260 Ų601%0.00930%0.302CS..  trans-74.381.8171.9-166.2-92.7000109.5F2 S5 L6 I38 T132 L136 V138 Y140F2-F130 HydrophobicContact CB-CE1 4.43Å; F2-F130 HydrophobicContact CB-CE2 4.36Å; F2-F130 HydrophobicContact CB-CZ 3.85Å; F2-F130 AromaticContact CD1-CD2 3.53Å; F2-F130 HydrophobicContact CD1-CD2 3.53Å; F2-F130 HydrophobicContact CD1-CE1 4.14Å; F2-F130 AromaticContact CD1-CE2 3.04Å; F2-F130 HydrophobicContact CD1-CE2 3.04Å; F2-F130 HydrophobicContact CD1-CG 4.25Å; F2-F130 AromaticContact CD1-CZ 3.39Å; F2-F130 HydrophobicContact CD1-CZ 3.39Å; F2-F130 AromaticContact CE1-CD2 3.66Å; F2-F130 HydrophobicContact CE1-CD2 3.66Å; F2-F130 AromaticContact CE1-CE2 3.49Å; F2-F130 HydrophobicContact CE1-CE2 3.49Å; F2-F130 VanDerWaalsContact CE1-CE2 3.49Å; F2-F130 HydrophobicContact CE1-CZ 4.29Å; F2-F130 HydrophobicContact CG-CE2 4.07Å; F2-F130 HydrophobicContact CG-CZ 4.07Å; S5-F130 WeakPolarHBondContact OG-CZ 3.29Å; L6-F130 HydrophobicContact CD1-CE1 4.1Å; L6-F130 HydrophobicContact CD2-CE1 4.14Å; L6-F130 HydrophobicContact CG-CE1 3.87Å; L6-F130 HydrophobicContact CG-CZ 4.49Å; I38-F130 HydrophobicContact CD1-CD2 4.01Å; I38-F130 HydrophobicContact CD1-CE2 3.56Å; I38-F130 HydrophobicContact CG1-CE2 3.75Å; I38-F130 HydrophobicContact CG2-CE2 4.21Å; F130-T132 HydrophobicContact CD1-CG2 3.61Å; F130-T132 HydrophobicContact CE1-CG2 3.29Å; F130-T132 HydrophobicContact CZ-CG2 4.11Å; F130-T132 PolarHBondContact O-N 3.39Å; F130-L136 HydrophobicContact CD1-CB 4.25Å; F130-L136 HydrophobicContact CD1-CD2 3.9Å; F130-L136 HydrophobicContact CE1-CD2 4.08Å; F130-V138 HydrophobicContact CB-CG1 3.76Å; F130-V138 VanDerWaalsContact CB-O 3.25Å; F130-V138 WeakPolarHBondContact CB-O 3.27Å; F130-V138 HydrophobicContact CG-CG1 4.25Å; F130-V138 PolarHBondContact N-O 3.44Å; F130-Y140 HydrophobicContact CB-CD1 4.46Å; F130-Y140 HydrophobicContact CD2-CD1 4.26Å
131N68.3Low82Confident127 Ų12760 Ų6068%0.67930%0.302SS*.  trans-72.3109.9-179.1-83.4-9.2000111K129K129-N131 VanDerWaalsContact C-N 3.28Å; K129-N131 PolarHBondContact O-N 2.87Å
132T63.3Low81.9Confident26 Ų2662.7 Ų62.716%0.1631%0.314CS..  trans-142158.2171.8610000110.9F2 L6 F130 Q134 D135F2-T132 HydrophobicContact CB-CG2 3.95Å; L6-T132 HydrophobicContact CD1-CG2 3.54Å; L6-T132 WeakPolarHBondContact CD1-OG1 3.37Å; L6-T132 HydrophobicContact CG-CG2 4.5Å; F130-T132 HydrophobicContact CD1-CG2 3.61Å; F130-T132 HydrophobicContact CE1-CG2 3.29Å; F130-T132 HydrophobicContact CZ-CG2 4.11Å; F130-T132 PolarHBondContact O-N 3.39Å; T132-Q134 PolarHBondContact O-N 3.24Å; T132-D135 PolarHBondContact O-N 3.12Å
133A53.7Low82.2Confident97 Ų9760.8 Ų60.880%0.80231%0.314SS*.THydrogen-bonded Turntrans-66.43.9-178.900000115.1
134Q59.2Low82.8Confident137 Ų13757.8 Ų57.864%0.6430%0.3SS*.THydrogen-bonded Turntrans-120.426.2-178.7-69.2-178.1-4600111.9T132 L136T132-Q134 PolarHBondContact O-N 3.24Å; Q134-L136 PolarHBondContact O-N 2.78Å
135D69.9Low83.6Confident110 Ų11059.3 Ų59.359%0.58831%0.307SS*.  trans47.235.5170.8-68.1-36.6000116T132 H137T132-D135 PolarHBondContact O-N 3.12Å; D135-H137 PolarHBondContact O-CD2 2.79Å; D135-H137 PolarHBondContact O-N 2.71Å; D135-H137 PolarHBondContact O-NE2 2.98Å
136L79.6Confident83.9Confident7 Ų760.3 Ų60.34%0.03732%0.318CS..  trans-66.9106.9173.1-169.272.4000109.6L6 Q14 L17 W34 F130 Q134 V138L6-L136 HydrophobicContact CD2-CB 3.81Å; L6-L136 HydrophobicContact CD2-CD2 3.93Å; L6-L136 HydrophobicContact CD2-CG 4.36Å; Q14-L136 HydrophobicContact CG-CD1 4.36Å; L17-L136 HydrophobicContact CD1-CD1 3.52Å; L17-L136 HydrophobicContact CD1-CG 4.14Å; W34-L136 HydrophobicContact CH2-CD2 4.44Å; W34-L136 HydrophobicContact CZ2-CD2 3.93Å; F130-L136 HydrophobicContact CD1-CB 4.25Å; F130-L136 HydrophobicContact CD1-CD2 3.9Å; F130-L136 HydrophobicContact CE1-CD2 4.08Å; Q134-L136 PolarHBondContact O-N 2.78Å; L136-V138 VanDerWaalsContact C-N 3.26Å; L136-V138 HydrophobicContact CD2-CG1 3.57Å; L136-V138 HydrophobicContact CG-CB 4.42Å; L136-V138 HydrophobicContact CG-CG1 3.77Å; L136-V138 PolarHBondContact O-N 2.05Å
137H87.1Confident84.2Confident40 Ų4057.4 Ų57.419%0.18530%0.297CS..  trans-80.765.5-174.9-67.5-65.5000112.7D18 W21 D135D18-H137 IonicContact OD1-CD2 3.68Å; W21-H137 HydrophobicContact CB-CB 3.52Å; W21-H137 AromaticContact CD1-CD2 3.64Å; W21-H137 AromaticContact CD1-CE1 3.74Å; W21-H137 AromaticContact CD1-CG 3.49Å; W21-H137 VanDerWaalsContact CD1-CG 3.49Å; W21-H137 AromaticContact CD1-ND1 3.55Å; W21-H137 AromaticContact CD1-NE2 3.78Å; W21-H137 HydrophobicContact CD2-CB 3.48Å; W21-H137 VanDerWaalsContact CD2-CB 3.48Å; W21-H137 AromaticContact CD2-CG 3.54Å; W21-H137 AromaticContact CD2-ND1 3.44Å; W21-H137 AromaticContact CE2-CE1 3.73Å; W21-H137 AromaticContact CE2-CG 3.78Å; W21-H137 AromaticContact CE2-ND1 3.18Å; W21-H137 HydrophobicContact CE3-CB 3.7Å; W21-H137 HydrophobicContact CG-CB 3.38Å; W21-H137 AromaticContact CG-CD2 3.88Å; W21-H137 AromaticContact CG-CG 3.37Å; W21-H137 AromaticContact CG-ND1 3.67Å; W21-H137 AromaticContact CZ2-ND1 3.67Å; W21-H137 AromaticContact NE1-CE1 3.38Å; W21-H137 PolarHBondContact NE1-CE1 2.73Å; W21-H137 AromaticContact NE1-CG 3.75Å; W21-H137 AromaticContact NE1-ND1 3.27Å; W21-H137 PolarHBondContact NE1-ND1 2.77Å; W21-H137 AromaticContact NE1-NE2 3.85Å; D135-H137 PolarHBondContact O-CD2 2.79Å; D135-H137 PolarHBondContact O-N 2.71Å; D135-H137 PolarHBondContact O-NE2 2.98Å
138V92.3Very high84.3Confident0 Ų055.2 Ų55.20%028%0.284CS..  trans-141.9157.3-176.9780000112L17 L27 I29 F56 F130 L136L17-V138 HydrophobicContact CD1-CB 4.25Å; L17-V138 HydrophobicContact CD1-CG2 4.47Å; L17-V138 HydrophobicContact CD2-CB 4.11Å; L17-V138 HydrophobicContact CD2-CG2 3.79Å; L27-V138 HydrophobicContact CB-CG2 4.4Å; L27-V138 WeakPolarHBondContact O-CG2 3.32Å; I29-V138 HydrophobicContact CD1-CG1 3.87Å; I29-V138 HydrophobicContact CD1-CG2 4.26Å; I29-V138 HydrophobicContact CG1-CG1 4.27Å; I29-V138 HydrophobicContact CG1-CG2 3.71Å; F56-V138 HydrophobicContact CD1-CG2 4.2Å; F56-V138 HydrophobicContact CE1-CG2 3.87Å; F130-V138 HydrophobicContact CB-CG1 3.76Å; F130-V138 VanDerWaalsContact CB-O 3.25Å; F130-V138 WeakPolarHBondContact CB-O 3.27Å; F130-V138 HydrophobicContact CG-CG1 4.25Å; F130-V138 PolarHBondContact N-O 3.44Å; L136-V138 VanDerWaalsContact C-N 3.26Å; L136-V138 HydrophobicContact CD2-CG1 3.57Å; L136-V138 HydrophobicContact CG-CB 4.42Å; L136-V138 HydrophobicContact CG-CG1 3.77Å; L136-V138 PolarHBondContact O-N 2.05Å
139Y94.1Very high84.4Confident52 Ų5253.5 Ų53.520%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-111164.6177-62.4-97.2000111.7W21 P26 L27 T28 I29 R128 K129W21-Y139 HydrophobicContact CZ3-CE2 4.02Å; P26-Y139 HydrophobicContact CB-CD2 4.05Å; P26-Y139 HydrophobicContact CB-CE2 3.7Å; L27-Y139 PolarHBondContact O-N 3.34Å; T28-Y139 CarbonylContact C-O 3.49Å; T28-Y139 WeakPolarHBondContact CA-O 3.42Å; I29-Y139 WeakPolarHBondContact CG1-O 3.08Å; I29-Y139 PolarHBondContact N-O 3.26Å; R128-Y139 CarbonylContact O-C 3.51Å; R128-Y139 VanDerWaalsContact O-CA 3.23Å; R128-Y139 WeakPolarHBondContact O-CA 3.25Å; K129-Y139 HydrophobicContact CB-CD1 4.21Å; K129-Y139 HydrophobicContact CB-CE1 4Å
140Y93.5Very high84.6Confident25 Ų2551.1 Ų51.110%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-139.6154.5169.468.1-81.5000110.7F2 T127 R128 F130 F142 L144F2-Y140 HydrophobicContact CE1-CE1 4.27Å; T127-Y140 WeakPolarHBondContact CA-O 3.15Å; R128-Y140 HydrophobicContact CB-CD1 4.38Å; R128-Y140 HydrophobicContact CB-CE1 3.71Å; R128-Y140 HydrophobicContact CB-CE2 4.39Å; R128-Y140 PolarHBondContact N-O 3.2Å; R128-Y140 WeakPolarHBondContact O-CD1 3.09Å; R128-Y140 WeakPolarHBondContact O-CE1 3.24Å; R128-Y140 PolarHBondContact O-N 3.41Å; F130-Y140 HydrophobicContact CB-CD1 4.46Å; F130-Y140 HydrophobicContact CD2-CD1 4.26Å; Y140-F142 HydrophobicContact CE2-CD2 4.35Å; Y140-L144 HydrophobicContact CD2-CB 4.33Å; Y140-L144 HydrophobicContact CD2-CD1 4.41Å; Y140-L144 HydrophobicContact CD2-CD2 4.47Å; Y140-L144 HydrophobicContact CE2-CB 4.26Å
141P94.3Very high85.2Confident0 Ų052.5 Ų52.50%028%0.284CS..EExtended strand (participates in β ladder)trans-65.3138.8177.4-23.736.8000112.6T28 I29 L30 L144 F147T28-P141 HydrophobicContact CG2-CG 3.86Å; I29-P141 VanDerWaalsContact O-CD 3.3Å; I29-P141 WeakPolarHBondContact O-CD 3.3Å; L30-P141 HydrophobicContact CD2-CG 4.2Å; P141-L144 WeakPolarHBondContact O-CA 3.4Å; P141-F147 HydrophobicContact CB-CB 3.98Å; P141-F147 HydrophobicContact CB-CD1 3.72Å; P141-F147 HydrophobicContact CB-CD2 3.47Å; P141-F147 VanDerWaalsContact CB-CD2 3.47Å; P141-F147 HydrophobicContact CB-CE1 3.99Å; P141-F147 HydrophobicContact CB-CE2 3.79Å; P141-F147 HydrophobicContact CB-CG 3.44Å; P141-F147 VanDerWaalsContact CB-CG 3.44Å; P141-F147 HydrophobicContact CB-CZ 4.06Å; P141-F147 HydrophobicContact CG-CD1 3.81Å; P141-F147 HydrophobicContact CG-CD2 4.01Å; P141-F147 HydrophobicContact CG-CE1 3.58Å; P141-F147 HydrophobicContact CG-CE2 3.82Å; P141-F147 HydrophobicContact CG-CG 4.01Å; P141-F147 HydrophobicContact CG-CZ 3.62Å
142F92.5Very high86.2Confident56 Ų5653.8 Ų53.825%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-135.3133.8-177.9-176.1-90.9000112S126 R128 Y140S126-F142 PolarHBondContact N-O 2.87Å; S126-F142 PolarHBondContact O-N 3.17Å; S126-F142 PolarHBondContact OG-O 3.29Å; S126-F142 VanDerWaalsContact OG-O 3.11Å; R128-F142 HydrophobicContact CB-CB 4.28Å; R128-F142 VanDerWaalsContact CD-CD2 3.48Å; R128-F142 HydrophobicContact CG-CB 3.76Å; R128-F142 HydrophobicContact CG-CD1 4.37Å; R128-F142 HydrophobicContact CG-CD2 4.24Å; R128-F142 HydrophobicContact CG-CG 3.85Å; R128-F142 VanDerWaalsContact CZ-CE1 3.42Å; R128-F142 VanDerWaalsContact CZ-CE2 3.49Å; R128-F142 VanDerWaalsContact NH2-CE1 3.33Å; Y140-F142 HydrophobicContact CE2-CD2 4.35Å
143P93.6Very high87.5Confident61 Ų6157.4 Ų57.440%0.39630%0.298SS..SBendcis-72.5128.11.7-17.932.6000114K145 A146 F147P143-K145 PolarHBondContact O-N 2.92Å; P143-A146 HydrophobicContact CB-CB 4.2Å; P143-A146 WeakPolarHBondContact O-CB 3.33Å; P143-A146 PolarHBondContact O-N 2.75Å; P143-A146 VanDerWaalsContact O-N 3.15Å; P143-F147 PolarHBondContact O-N 3.46Å
144L93Very high89.5Confident16 Ų1652.8 Ų52.88%0.08426%0.26CS..Hα-helixtrans-58.2-46.9-171.1178.558.3000113.1L35 I38 D39 Y140 P141 A146 F147 L148L35-L144 HydrophobicContact CB-CD1 4.1Å; L35-L144 HydrophobicContact CD2-CD1 3.84Å; L35-L144 HydrophobicContact CG-CD1 4.42Å; I38-L144 HydrophobicContact CB-CD2 4.14Å; I38-L144 HydrophobicContact CG2-CD2 3.73Å; D39-L144 HydrophobicContact CB-CD2 3.83Å; D39-L144 HydrophobicContact CB-CG 4.29Å; Y140-L144 HydrophobicContact CD2-CB 4.33Å; Y140-L144 HydrophobicContact CD2-CD1 4.41Å; Y140-L144 HydrophobicContact CD2-CD2 4.47Å; Y140-L144 HydrophobicContact CE2-CB 4.26Å; P141-L144 WeakPolarHBondContact O-CA 3.4Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.44Å; L144-F147 WeakPolarHBondContact O-CB 3.18Å; L144-F147 PolarHBondContact O-N 3.2Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.05Å; L144-L148 HydrophobicContact CG-CD1 3.95Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 WeakPolarHBondContact O-CG 3.39Å; L144-L148 PolarHBondContact O-N 3.24Å
145K93.2Very high91.3Very high153 Ų15348.5 Ų48.567%0.66524%0.24SC*.Hα-helixtrans-63.4-36.9-179.9-168.7174-175.1174.60112.7P143 T149P143-K145 PolarHBondContact O-N 2.92Å; K145-T149 WeakPolarHBondContact O-CB 3.48Å; K145-T149 PolarHBondContact O-N 2.96Å; K145-T149 VanDerWaalsContact O-N 3.07Å; K145-T149 PolarHBondContact O-OG1 3.27Å
146A93Very high92.6Very high33 Ų3344.2 Ų44.227%0.27322%0.216SC..Hα-helixtrans-67.3-44.6175.300000110.4Y125 P143 L144 T149 E150Y125-A146 HydrophobicContact CE1-CB 4.08Å; Y125-A146 VanDerWaalsContact OH-C 3.24Å; Y125-A146 PolarHBondContact OH-O 3.1Å; Y125-A146 VanDerWaalsContact OH-O 3.11Å; P143-A146 HydrophobicContact CB-CB 4.2Å; P143-A146 WeakPolarHBondContact O-CB 3.33Å; P143-A146 PolarHBondContact O-N 2.75Å; P143-A146 VanDerWaalsContact O-N 3.15Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.44Å; A146-T149 PolarHBondContact O-N 3.14Å; A146-E150 PolarHBondContact O-N 3.35Å
147F94.3Very high93.4Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-58.4-51.2176-177-99.3000112L30 L35 W106 L121 Y125 P141 P143 L144 T149 E150 M151L30-F147 HydrophobicContact CD2-CZ 3.9Å; L35-F147 HydrophobicContact CD1-CD1 3.92Å; L35-F147 HydrophobicContact CD1-CE1 3.54Å; W106-F147 HydrophobicContact CE3-CE2 4.39Å; W106-F147 HydrophobicContact CZ3-CE2 4.29Å; L121-F147 HydrophobicContact CD1-CE2 4.22Å; L121-F147 HydrophobicContact CD2-CD2 3.63Å; L121-F147 HydrophobicContact CD2-CE2 3.45Å; L121-F147 VanDerWaalsContact CD2-CE2 3.45Å; L121-F147 HydrophobicContact CD2-CZ 4.21Å; L121-F147 HydrophobicContact CG-CE2 4.48Å; Y125-F147 HydrophobicContact CD1-CB 3.97Å; Y125-F147 HydrophobicContact CD1-CD2 4.12Å; Y125-F147 AromaticContact CD2-CD2 3.53Å; Y125-F147 HydrophobicContact CD2-CD2 3.53Å; Y125-F147 HydrophobicContact CD2-CE2 4.17Å; Y125-F147 HydrophobicContact CE1-CB 3.68Å; Y125-F147 HydrophobicContact CE1-CD2 4.27Å; Y125-F147 HydrophobicContact CE2-CB 4.41Å; Y125-F147 AromaticContact CE2-CD2 3.66Å; Y125-F147 HydrophobicContact CE2-CD2 3.66Å; Y125-F147 HydrophobicContact CE2-CE2 4.47Å; Y125-F147 HydrophobicContact CG-CB 4.46Å; Y125-F147 AromaticContact CG-CD2 3.75Å; Y125-F147 HydrophobicContact CG-CD2 3.75Å; Y125-F147 VanDerWaalsContact CZ-CA 3.45Å; Y125-F147 WeakPolarHBondContact OH-CA 2.94Å; Y125-F147 PolarHBondContact OH-N 3.33Å; P141-F147 HydrophobicContact CB-CB 3.98Å; P141-F147 HydrophobicContact CB-CD1 3.72Å; P141-F147 HydrophobicContact CB-CD2 3.47Å; P141-F147 VanDerWaalsContact CB-CD2 3.47Å; P141-F147 HydrophobicContact CB-CE1 3.99Å; P141-F147 HydrophobicContact CB-CE2 3.79Å; P141-F147 HydrophobicContact CB-CG 3.44Å; P141-F147 VanDerWaalsContact CB-CG 3.44Å; P141-F147 HydrophobicContact CB-CZ 4.06Å; P141-F147 HydrophobicContact CG-CD1 3.81Å; P141-F147 HydrophobicContact CG-CD2 4.01Å; P141-F147 HydrophobicContact CG-CE1 3.58Å; P141-F147 HydrophobicContact CG-CE2 3.82Å; P141-F147 HydrophobicContact CG-CG 4.01Å; P141-F147 HydrophobicContact CG-CZ 3.62Å; P143-F147 PolarHBondContact O-N 3.46Å; L144-F147 WeakPolarHBondContact O-CB 3.18Å; L144-F147 PolarHBondContact O-N 3.2Å; F147-T149 PolarHBondContact O-N 2.83Å; F147-E150 PolarHBondContact O-N 2.99Å; F147-M151 HydrophobicContact CD1-CG 3.91Å; F147-M151 HydrophobicContact CD1-SD 3.55Å; F147-M151 VanDerWaalsContact CD1-SD 3.55Å; F147-M151 HydrophobicContact CE1-CE 4.37Å; F147-M151 HydrophobicContact CE1-CG 3.63Å; F147-M151 HydrophobicContact CE1-SD 3.05Å; F147-M151 WeakPolarHBondContact CE1-SD 3.41Å; F147-M151 HydrophobicContact CE2-CG 4.44Å; F147-M151 HydrophobicContact CG-CG 4.44Å; F147-M151 HydrophobicContact CZ-CG 3.89Å; F147-M151 HydrophobicContact CZ-SD 3.77Å; F147-M151 WeakPolarHBondContact O-CB 3.5Å; F147-M151 VanDerWaalsContact O-CG 3.32Å; F147-M151 WeakPolarHBondContact O-CG 3.42Å; F147-M151 PolarHBondContact O-N 3.24Å
148L94.6Very high93.8Very high15 Ų1547.5 Ų47.58%0.07923%0.232CC..Hα-helixtrans-61-31.6177.8-75.4172.3000113.2L35 L36 D39 L144 M151L35-L148 HydrophobicContact CB-CD2 3.79Å; L36-L148 HydrophobicContact CD2-CD1 4.12Å; L36-L148 HydrophobicContact CD2-CD2 4.15Å; L36-L148 HydrophobicContact CG-CD2 4.15Å; D39-L148 HydrophobicContact CB-CD1 3.64Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.05Å; L144-L148 HydrophobicContact CG-CD1 3.95Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 WeakPolarHBondContact O-CG 3.39Å; L144-L148 PolarHBondContact O-N 3.24Å; L148-M151 HydrophobicContact CD2-SD 4.42Å
149T92.8Very high94.1Very high87 Ų8748.2 Ų48.253%0.53424%0.237SC..Hα-helixtrans-72-49.1176.2-58.30000110.5K145 A146 F147 M151 K152K145-T149 WeakPolarHBondContact O-CB 3.48Å; K145-T149 PolarHBondContact O-N 2.96Å; K145-T149 VanDerWaalsContact O-N 3.07Å; K145-T149 PolarHBondContact O-OG1 3.27Å; A146-T149 PolarHBondContact O-N 3.14Å; F147-T149 PolarHBondContact O-N 2.83Å; T149-M151 VanDerWaalsContact C-N 3.33Å; T149-M151 PolarHBondContact O-N 2.92Å; T149-K152 PolarHBondContact O-N 3.11Å
150E92.8Very high94.2Very high29 Ų2949.4 Ų49.414%0.13624%0.241CC..Hα-helixtrans-65.6-36.2179.7-174.1160.2-176.400112L121 R122 Q123 Y125 A146 F147 K152 E153 S154L121-E150 HydrophobicContact CB-CG 4.37Å; L121-E150 HydrophobicContact CD2-CB 4.34Å; L121-E150 HydrophobicContact CD2-CG 4.17Å; L121-E150 HydrophobicContact CG-CG 4.48Å; R122-E150 WeakPolarHBondContact CA-OE1 3.42Å; R122-E150 VanDerWaalsContact CB-OE1 3.31Å; R122-E150 WeakPolarHBondContact CB-OE1 3.31Å; R122-E150 PolarHBondContact N-OE1 3.2Å; Q123-E150 WeakPolarHBondContact CG-OE2 3.38Å; Q123-E150 PolarHBondContact NE2-OE2 3.11Å; Y125-E150 WeakPolarHBondContact OH-CB 3.46Å; Y125-E150 PolarHBondContact OH-OE2 2.8Å; A146-E150 PolarHBondContact O-N 3.35Å; F147-E150 PolarHBondContact O-N 2.99Å; E150-K152 PolarHBondContact O-N 3.08Å; E150-K152 VanDerWaalsContact O-N 3.14Å; E150-E153 CarbonylContact O-C 3.12Å; E150-E153 PolarHBondContact O-N 2.88Å; E150-E153 VanDerWaalsContact O-N 3.1Å; E150-S154 WeakPolarHBondContact O-CB 3.23Å; E150-S154 PolarHBondContact O-N 2.73Å
151M93.3Very high94.3Very high31 Ų3154.8 Ų54.815%0.15326%0.261CS..Hα-helixtrans-54.1-31.6176.1-86.4-170.680.900114.3A32 L35 L119 L121 F147 L148 T149 E153 S154A32-M151 HydrophobicContact CB-CE 4.32Å; L35-M151 HydrophobicContact CD1-SD 4.27Å; L119-M151 HydrophobicContact CD1-CE 3.92Å; L121-M151 HydrophobicContact CD2-CG 4.13Å; F147-M151 HydrophobicContact CD1-CG 3.91Å; F147-M151 HydrophobicContact CD1-SD 3.55Å; F147-M151 VanDerWaalsContact CD1-SD 3.55Å; F147-M151 HydrophobicContact CE1-CE 4.37Å; F147-M151 HydrophobicContact CE1-CG 3.63Å; F147-M151 HydrophobicContact CE1-SD 3.05Å; F147-M151 WeakPolarHBondContact CE1-SD 3.41Å; F147-M151 HydrophobicContact CE2-CG 4.44Å; F147-M151 HydrophobicContact CG-CG 4.44Å; F147-M151 HydrophobicContact CZ-CG 3.89Å; F147-M151 HydrophobicContact CZ-SD 3.77Å; F147-M151 WeakPolarHBondContact O-CB 3.5Å; F147-M151 VanDerWaalsContact O-CG 3.32Å; F147-M151 WeakPolarHBondContact O-CG 3.42Å; F147-M151 PolarHBondContact O-N 3.24Å; L148-M151 HydrophobicContact CD2-SD 4.42Å; T149-M151 VanDerWaalsContact C-N 3.33Å; T149-M151 PolarHBondContact O-N 2.92Å; M151-E153 PolarHBondContact O-N 3.15Å; M151-S154 VanDerWaalsContact CA-OG 3.3Å; M151-S154 WeakPolarHBondContact CA-OG 3.2Å; M151-S154 PolarHBondContact O-N 3.07Å; M151-S154 PolarHBondContact O-OG 3.35Å
152K91.1Very high94.4Very high154 Ų15459 Ų5967%0.6728%0.284SS*.THydrogen-bonded Turntrans-66.7-25.3-178.1-68174.7-176.8-178.60112.6T149 E150T149-K152 PolarHBondContact O-N 3.11Å; E150-K152 PolarHBondContact O-N 3.08Å; E150-K152 VanDerWaalsContact O-N 3.14Å
153E89.4Confident94.5Very high102 Ų10258.1 Ų58.148%0.47728%0.281SS..THydrogen-bonded Turntrans-118.617-177.7-58.9-17617100111.8E150 M151 K310E150-E153 CarbonylContact O-C 3.12Å; E150-E153 PolarHBondContact O-N 2.88Å; E150-E153 VanDerWaalsContact O-N 3.1Å; M151-E153 PolarHBondContact O-N 3.15Å; E153-K310 WeakPolarHBondContact O-CE 3.44Å; E153-K310 WeakPolarHBondContact O-CG 3.17Å
154S95.7Very high94.5Very high0 Ų055.3 Ų55.30%026%0.263CS..  trans-95.1-3.8-17266.70000114.6L119 A120 E150 M151 F156L119-S154 CarbonylContact C-O 3.56Å; L119-S154 VanDerWaalsContact CA-O 3.25Å; L119-S154 WeakPolarHBondContact CA-O 3.49Å; A120-S154 PolarHBondContact N-O 2.87Å; A120-S154 WeakPolarHBondContact O-CB 3.46Å; E150-S154 WeakPolarHBondContact O-CB 3.23Å; E150-S154 PolarHBondContact O-N 2.73Å; M151-S154 VanDerWaalsContact CA-OG 3.3Å; M151-S154 WeakPolarHBondContact CA-OG 3.2Å; M151-S154 PolarHBondContact O-N 3.07Å; M151-S154 PolarHBondContact O-OG 3.35Å; S154-F156 PolarHBondContact O-N 2.98Å; S154-F156 VanDerWaalsContact O-N 3.12Å
155E97.1Very high94.6Very high48 Ų4859.2 Ų59.222%0.22428%0.283CS..BIsolated β-bridgetrans-51.5122.2179.9179.7172.5146.800110.9R307 C309 K310E155-R307 IonicContact OE1-NH1 2.98Å; E155-R307 IonicContact OE2-CZ 2.94Å; E155-R307 IonicContact OE2-NH1 2.66Å; E155-R307 PolarHBondContact OE2-NH1 2.94Å; E155-R307 IonicContact OE2-NH2 3.16Å; E155-R307 PolarHBondContact OE2-NH2 2.91Å; E155-C309 CarbonylContact O-C 3.47Å; E155-C309 VanDerWaalsContact O-CA 3.32Å; E155-C309 WeakPolarHBondContact O-CA 3.25Å; E155-C309 VanDerWaalsContact O-CB 3.27Å; E155-C309 WeakPolarHBondContact O-CB 3.38Å; E155-K310 PolarHBondContact O-N 2.73Å
156F97.3Very high94.6Very high20 Ų2054.3 Ų54.39%0.08827%0.271CS..BIsolated β-bridgetrans-98.8130.6-171.7-179.3-102.2000110.9L107 A118 A120 S154 E158 K310 E312 L317L107-F156 HydrophobicContact CD1-CB 4.37Å; L107-F156 HydrophobicContact CD1-CD1 3.72Å; L107-F156 HydrophobicContact CD1-CD2 4.25Å; L107-F156 HydrophobicContact CD1-CE1 3.97Å; L107-F156 HydrophobicContact CD1-CE2 4.45Å; L107-F156 HydrophobicContact CD1-CG 3.85Å; L107-F156 HydrophobicContact CD1-CZ 4.33Å; A118-F156 HydrophobicContact CB-CB 4.11Å; A118-F156 HydrophobicContact CB-CD1 4.29Å; A118-F156 PolarHBondContact O-N 2.66Å; A120-F156 HydrophobicContact CB-CB 4.01Å; A120-F156 HydrophobicContact CB-CD2 3.45Å; A120-F156 VanDerWaalsContact CB-CD2 3.45Å; A120-F156 HydrophobicContact CB-CE2 4.2Å; A120-F156 HydrophobicContact CB-CG 4.01Å; S154-F156 PolarHBondContact O-N 2.98Å; S154-F156 VanDerWaalsContact O-N 3.12Å; F156-E158 HydrophobicContact CE1-CB 4.27Å; F156-K310 WeakPolarHBondContact CA-O 3.5Å; F156-K310 HydrophobicContact CD2-CB 4.32Å; F156-E312 HydrophobicContact CE2-CB 3.97Å; F156-E312 HydrophobicContact CZ-CB 4.08Å; F156-L317 HydrophobicContact CD2-CD1 4.4Å; F156-L317 HydrophobicContact CE2-CD1 4.3Å
157I97.1Very high94.5Very high32 Ų3253.2 Ų53.216%0.16426%0.26CS..  trans-110.6128.1172-60.6176.6000107.5W213 Y214 C309 K310 V320 C322 V324I157-W213 HydrophobicContact CB-CH2 4.17Å; I157-W213 HydrophobicContact CG2-CH2 3.82Å; I157-W213 HydrophobicContact CG2-CZ2 4.38Å; I157-W213 WeakPolarHBondContact O-CZ2 3.13Å; I157-Y214 HydrophobicContact CG2-CE2 4.1Å; I157-C309 HydrophobicContact CD1-CB 3.56Å; I157-C309 HydrophobicContact CG1-CB 3.87Å; I157-K310 PolarHBondContact N-O 3.43Å; I157-V320 HydrophobicContact CD1-CG2 4.5Å; I157-C322 HydrophobicContact CD1-CB 4.5Å; I157-V324 HydrophobicContact CD1-CG2 4.33Å
158E95.5Very high94.3Very high83 Ų8358.2 Ų58.239%0.38828%0.279SS..  trans-81.1145.6172.1-167.984.1-13600109.7F156 R161F156-E158 HydrophobicContact CE1-CB 4.27Å; E158-R161 IonicContact OE1-CZ 3.2Å; E158-R161 IonicContact OE1-NE 3.09Å; E158-R161 PolarHBondContact OE1-NE 2.99Å; E158-R161 IonicContact OE1-NH2 3.48Å; E158-R161 PolarHBondContact OE1-NH2 3.49Å; E158-R161 IonicContact OE2-NH2 3.11Å
159C97.7Very high94.2Very high15 Ų1564.5 Ų64.510%0.10131%0.308CS..  trans-62.7159.4165.965.90000111.2R161 W213 C217C159-R161 VanDerWaalsContact C-N 3.32Å; C159-R161 PolarHBondContact O-N 3.19Å; C159-W213 WeakPolarHBondContact CB-O 3.32Å; C159-C217 HydrophobicContact CB-CB 3.93Å; C159-C217 WeakPolarHBondContact CB-SG 3.41Å; C159-C217 WeakPolarHBondContact SG-CB 3.5Å; C159-C217 CovalentContact SG-SG 2.03Å; C159-C217 PolarHBondContact SG-SG 3.31Å
160R96.7Very high94.1Very high78 Ų7866.3 Ų66.329%0.29431%0.308SS..  trans-77.680.3176.9-65.9-64.9-58.6-92.31.2111.1D162 M163 A164 Y214R160-D162 IonicContact CZ-OD1 3.05Å; R160-D162 IonicContact CZ-OD2 3.61Å; R160-D162 IonicContact NE-OD1 2.62Å; R160-D162 PolarHBondContact NE-OD1 3.35Å; R160-D162 IonicContact NE-OD2 3.06Å; R160-D162 IonicContact NH2-OD1 3.07Å; R160-D162 IonicContact NH2-OD2 3.32Å; R160-D162 PolarHBondContact NH2-OD2 2.98Å; R160-D162 PolarHBondContact O-N 3.47Å; R160-M163 HydrophobicContact CB-CB 3.74Å; R160-M163 HydrophobicContact CB-CG 3.75Å; R160-M163 HydrophobicContact CB-SD 3.67Å; R160-M163 HydrophobicContact CG-CG 4.41Å; R160-M163 HydrophobicContact CG-SD 3.8Å; R160-M163 WeakPolarHBondContact O-CB 3.01Å; R160-M163 PolarHBondContact O-N 2.9Å; R160-M163 VanDerWaalsContact O-N 3.08Å; R160-A164 WeakPolarHBondContact O-CB 3.41Å; R160-A164 PolarHBondContact O-N 2.93Å; R160-Y214 VanDerWaalsContact CB-O 3.26Å; R160-Y214 WeakPolarHBondContact CB-O 3.44Å; R160-Y214 HydrophobicContact CG-CD1 4.31Å; R160-Y214 HydrophobicContact CG-CD2 4.43Å; R160-Y214 HydrophobicContact CG-CE1 3.88Å; R160-Y214 HydrophobicContact CG-CE2 4.03Å; R160-Y214 PolarHBondContact N-O 2.9Å
161R96.1Very high93.9Very high137 Ų13767.3 Ų67.352%0.51731%0.311SS..Hα-helixtrans-56.1-38.3179.1-65-175.4-176.5-179.91.6112.6E158 C159 A164 I165E158-R161 IonicContact OE1-CZ 3.2Å; E158-R161 IonicContact OE1-NE 3.09Å; E158-R161 PolarHBondContact OE1-NE 2.99Å; E158-R161 IonicContact OE1-NH2 3.48Å; E158-R161 PolarHBondContact OE1-NH2 3.49Å; E158-R161 IonicContact OE2-NH2 3.11Å; C159-R161 VanDerWaalsContact C-N 3.32Å; C159-R161 PolarHBondContact O-N 3.19Å; R161-A164 PolarHBondContact O-N 3.42Å; R161-I165 VanDerWaalsContact O-CG1 3.31Å; R161-I165 WeakPolarHBondContact O-CG1 3.29Å; R161-I165 PolarHBondContact O-N 2.96Å
162D95.7Very high93.6Very high88 Ų8868.7 Ų68.747%0.47132%0.323SS..Hα-helixtrans-59.3-48.5174.162.2-40.7000111.9R160 A164 I165 A166R160-D162 IonicContact CZ-OD1 3.05Å; R160-D162 IonicContact CZ-OD2 3.61Å; R160-D162 IonicContact NE-OD1 2.62Å; R160-D162 PolarHBondContact NE-OD1 3.35Å; R160-D162 IonicContact NE-OD2 3.06Å; R160-D162 IonicContact NH2-OD1 3.07Å; R160-D162 IonicContact NH2-OD2 3.32Å; R160-D162 PolarHBondContact NH2-OD2 2.98Å; R160-D162 PolarHBondContact O-N 3.47Å; D162-A164 VanDerWaalsContact C-N 3.35Å; D162-A164 PolarHBondContact O-N 2.85Å; D162-I165 PolarHBondContact O-N 3.23Å; D162-A166 PolarHBondContact O-N 3.25Å
163M94.2Very high93.5Very high39 Ų3964.7 Ų64.719%0.19231%0.314CS..Hα-helixtrans-64.3-40.8175.2-67.9-178.2170.500111.6R160 I165 A166 M167 R215 W336R160-M163 HydrophobicContact CB-CB 3.74Å; R160-M163 HydrophobicContact CB-CG 3.75Å; R160-M163 HydrophobicContact CB-SD 3.67Å; R160-M163 HydrophobicContact CG-CG 4.41Å; R160-M163 HydrophobicContact CG-SD 3.8Å; R160-M163 WeakPolarHBondContact O-CB 3.01Å; R160-M163 PolarHBondContact O-N 2.9Å; R160-M163 VanDerWaalsContact O-N 3.08Å; M163-I165 VanDerWaalsContact C-N 3.31Å; M163-I165 PolarHBondContact O-N 3.12Å; M163-A166 PolarHBondContact O-N 3.4Å; M163-M167 VanDerWaalsContact O-CB 3.3Å; M163-M167 WeakPolarHBondContact O-CB 3.19Å; M163-M167 WeakPolarHBondContact O-CG 3.19Å; M163-M167 PolarHBondContact O-N 3.12Å; M163-R215 CarbonylContact C-O 3.46Å; M163-W336 HydrophobicContact CE-CH2 4.2Å; M163-W336 HydrophobicContact SD-CH2 3.9Å; M163-W336 HydrophobicContact SD-CZ3 4.3Å
164A94.7Very high93.2Very high2 Ų261.9 Ų61.92%0.01731%0.306CS..Hα-helixtrans-63.5-37.7-179.400000112R160 R161 D162 R168 R215 C217R160-A164 WeakPolarHBondContact O-CB 3.41Å; R160-A164 PolarHBondContact O-N 2.93Å; R161-A164 PolarHBondContact O-N 3.42Å; D162-A164 VanDerWaalsContact C-N 3.35Å; D162-A164 PolarHBondContact O-N 2.85Å; A164-R168 WeakPolarHBondContact O-CG 3.23Å; A164-R168 PolarHBondContact O-N 3.41Å; A164-R168 PolarHBondContact O-NH1 2.81Å; A164-R168 VanDerWaalsContact O-NH1 3.16Å; A164-R215 VanDerWaalsContact CA-O 3.25Å; A164-R215 WeakPolarHBondContact CA-O 3.4Å; A164-R215 PolarHBondContact N-O 2.89Å; A164-R215 VanDerWaalsContact N-O 3.16Å; A164-C217 HydrophobicContact CB-CB 4.19Å
165I94.8Very high92.8Very high98 Ų9864.8 Ų64.850%0.50332%0.317SS..Hα-helixtrans-66.1-50.9172.9-68.7164.7000110R161 D162 M163 M167 R168 Q169R161-I165 VanDerWaalsContact O-CG1 3.31Å; R161-I165 WeakPolarHBondContact O-CG1 3.29Å; R161-I165 PolarHBondContact O-N 2.96Å; D162-I165 PolarHBondContact O-N 3.23Å; M163-I165 VanDerWaalsContact C-N 3.31Å; M163-I165 PolarHBondContact O-N 3.12Å; I165-M167 VanDerWaalsContact C-N 3.3Å; I165-M167 PolarHBondContact O-N 2.9Å; I165-R168 PolarHBondContact O-N 3.13Å; I165-Q169 WeakPolarHBondContact O-CG 3.35Å; I165-Q169 PolarHBondContact O-N 2.81Å
166A93.1Very high92.4Very high49 Ų4971 Ų7141%0.40534%0.343SS..Hα-helixtrans-60.1-38.4-179.200000112.7D162 M163 Q169 K170D162-A166 PolarHBondContact O-N 3.25Å; M163-A166 PolarHBondContact O-N 3.4Å; A166-Q169 PolarHBondContact O-N 2.67Å; A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.44Å; A166-K170 PolarHBondContact O-N 3.3Å
167M89.9Confident91.9Very high10 Ų1078.7 Ų78.75%0.04937%0.372CS..Hα-helixtrans-64.4-44.6177.1-77.4-76.6-68.500112.2M163 I165 Q169 K170 Y171 R215 E216 A339M163-M167 VanDerWaalsContact O-CB 3.3Å; M163-M167 WeakPolarHBondContact O-CB 3.19Å; M163-M167 WeakPolarHBondContact O-CG 3.19Å; M163-M167 PolarHBondContact O-N 3.12Å; I165-M167 VanDerWaalsContact C-N 3.3Å; I165-M167 PolarHBondContact O-N 2.9Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 3.1Å; M167-K170 PolarHBondContact O-N 3.21Å; M167-Y171 HydrophobicContact CE-CD2 4.25Å; M167-Y171 HydrophobicContact CE-CE2 4.37Å; M167-Y171 WeakPolarHBondContact O-CD2 3.45Å; M167-Y171 PolarHBondContact O-N 2.87Å; M167-Y171 HydrophobicContact SD-CD2 3.99Å; M167-Y171 HydrophobicContact SD-CE2 3.79Å; M167-R215 HydrophobicContact CE-CG 4.31Å; M167-R215 HydrophobicContact CG-CG 4.18Å; M167-E216 HydrophobicContact CE-CG 4.33Å; M167-A339 HydrophobicContact CE-CB 3.59Å; M167-A339 HydrophobicContact SD-CB 4.35Å
168R91Very high91.7Very high106 Ų10682.9 Ų82.940%0.440%0.401SS..Hα-helixtrans-64.5-37.6176.7-71.7-179.7-174.694.61.2112.1A164 I165 P172 Y175 E216A164-R168 WeakPolarHBondContact O-CG 3.23Å; A164-R168 PolarHBondContact O-N 3.41Å; A164-R168 PolarHBondContact O-NH1 2.81Å; A164-R168 VanDerWaalsContact O-NH1 3.16Å; I165-R168 PolarHBondContact O-N 3.13Å; R168-P172 WeakPolarHBondContact O-CA 3.45Å; R168-Y175 HydrophobicContact CB-CD2 4.24Å; R168-Y175 HydrophobicContact CB-CE2 4.38Å; R168-Y175 HydrophobicContact CG-CD1 4.08Å; R168-Y175 HydrophobicContact CG-CD2 3.91Å; R168-Y175 HydrophobicContact CG-CE1 4.11Å; R168-Y175 HydrophobicContact CG-CE2 3.94Å; R168-Y175 HydrophobicContact CG-CG 3.99Å; R168-E216 PolarHBondContact NH2-O 3.4Å
169Q92.2Very high91.5Very high146 Ų14682 Ų8268%0.68240%0.402SS*.Hα-helixtrans-68.3-40.8175.2-71174.4-15.700112.2I165 A166 M167I165-Q169 WeakPolarHBondContact O-CG 3.35Å; I165-Q169 PolarHBondContact O-N 2.81Å; A166-Q169 PolarHBondContact O-N 2.67Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 3.1Å
170K90.5Very high91.3Very high125 Ų12586.5 Ų86.554%0.54342%0.42SS..Hα-helixtrans-76.3-34-178-172.5173.5179.3-176.20113.5A166 M167 P172A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.44Å; A166-K170 PolarHBondContact O-N 3.3Å; M167-K170 PolarHBondContact O-N 3.21Å; K170-P172 WeakPolarHBondContact O-CD 3.33Å
171Y87.8Confident91.2Very high50 Ų5083.8 Ų83.820%0.19641%0.412CS..  trans-124.354.5-175.9-55.1-77.5000113.1M167 S173 S174 Y175 A339M167-Y171 HydrophobicContact CE-CD2 4.25Å; M167-Y171 HydrophobicContact CE-CE2 4.37Å; M167-Y171 WeakPolarHBondContact O-CD2 3.45Å; M167-Y171 PolarHBondContact O-N 2.87Å; M167-Y171 HydrophobicContact SD-CD2 3.99Å; M167-Y171 HydrophobicContact SD-CE2 3.79Å; Y171-S173 VanDerWaalsContact C-N 3.25Å; Y171-S173 PolarHBondContact O-N 2.93Å; Y171-S173 VanDerWaalsContact O-N 3.15Å; Y171-S174 WeakPolarHBondContact O-CB 3.45Å; Y171-S174 PolarHBondContact O-N 2.97Å; Y171-S174 VanDerWaalsContact O-N 3.08Å; Y171-Y175 VanDerWaalsContact O-CD2 3.24Å; Y171-Y175 WeakPolarHBondContact O-CD2 3.31Å; Y171-A339 HydrophobicContact CD1-CB 4.25Å; Y171-A339 HydrophobicContact CD2-CB 3.64Å; Y171-A339 HydrophobicContact CE1-CB 4.06Å; Y171-A339 HydrophobicContact CE2-CB 3.43Å; Y171-A339 VanDerWaalsContact CE2-CB 3.43Å; Y171-A339 HydrophobicContact CG-CB 4.05Å
172P88.6Confident91.1Very high61 Ų6181.5 Ų81.540%0.39641%0.409SS..Hα-helixtrans-61.7-31.2-170.525.1-35000113.3R168 K170 S174 Y175 K176R168-P172 WeakPolarHBondContact O-CA 3.45Å; K170-P172 WeakPolarHBondContact O-CD 3.33Å; P172-S174 VanDerWaalsContact C-N 3.28Å; P172-S174 PolarHBondContact O-N 2.64Å; P172-Y175 PolarHBondContact O-N 3.11Å; P172-K176 VanDerWaalsContact O-CG 3.31Å; P172-K176 WeakPolarHBondContact O-CG 3.48Å; P172-K176 PolarHBondContact O-N 3.17Å
173S87.8Confident91.1Very high70 Ų7081.8 Ų81.849%0.4941%0.411SS..Hα-helixtrans-63.7-31.9178.754.60000113.1Y171 Y175Y171-S173 VanDerWaalsContact C-N 3.25Å; Y171-S173 PolarHBondContact O-N 2.93Å; Y171-S173 VanDerWaalsContact O-N 3.15Å; S173-Y175 VanDerWaalsContact C-N 3.28Å; S173-Y175 PolarHBondContact O-N 3.29Å
174S84.4Confident91.1Very high43 Ų4383.4 Ų83.430%0.30143%0.426SS..Hα-helixtrans-67.9-29.3177.3-60.60000112.5Y171 P172 P221Y171-S174 WeakPolarHBondContact O-CB 3.45Å; Y171-S174 PolarHBondContact O-N 2.97Å; Y171-S174 VanDerWaalsContact O-N 3.08Å; P172-S174 VanDerWaalsContact C-N 3.28Å; P172-S174 PolarHBondContact O-N 2.64Å; S174-P221 WeakPolarHBondContact O-CB 3.17Å
175Y86.3Confident91.2Very high61 Ų6183.7 Ų83.724%0.23943%0.428CS..Hα-helixtrans-100.4-16-177.7-60.7-80000113.7R168 Y171 P172 S173 E216 P221R168-Y175 HydrophobicContact CB-CD2 4.24Å; R168-Y175 HydrophobicContact CB-CE2 4.38Å; R168-Y175 HydrophobicContact CG-CD1 4.08Å; R168-Y175 HydrophobicContact CG-CD2 3.91Å; R168-Y175 HydrophobicContact CG-CE1 4.11Å; R168-Y175 HydrophobicContact CG-CE2 3.94Å; R168-Y175 HydrophobicContact CG-CG 3.99Å; Y171-Y175 VanDerWaalsContact O-CD2 3.24Å; Y171-Y175 WeakPolarHBondContact O-CD2 3.31Å; P172-Y175 PolarHBondContact O-N 3.11Å; S173-Y175 VanDerWaalsContact C-N 3.28Å; S173-Y175 PolarHBondContact O-N 3.29Å; Y175-E216 WeakPolarHBondContact CE1-OE2 3.22Å; Y175-E216 WeakPolarHBondContact OH-CG 3.5Å; Y175-E216 PolarHBondContact OH-OE2 3.35Å; Y175-P221 HydrophobicContact CD1-CG 3.59Å; Y175-P221 HydrophobicContact CE1-CG 3.58Å
176K88.2Confident91.3Very high178 Ų17879.5 Ų79.577%0.77441%0.406SS*.Hα-helixtrans-76.6-23.9172.9-77.5178.9179.7-173.90113.1P172P172-K176 VanDerWaalsContact O-CG 3.31Å; P172-K176 WeakPolarHBondContact O-CG 3.48Å; P172-K176 PolarHBondContact O-N 3.17Å
177R88.2Confident91.5Very high181 Ų18180 Ų8068%0.68340%0.402SS*.SBendtrans-79.5145.5176.1-69.2178.5-179.3162.32.5109.7
178P91.5Very high91.9Very high120 Ų12080.1 Ų80.178%0.77940%0.403SS*.PPolyproline II helixtrans-52.6130169.8-24.733.9000110
179P92.7Very high92.2Very high64 Ų6475 Ų7542%0.41638%0.384SS..PPolyproline II helixtrans-67.9148.5177.831.4-36.3000109.7L181 P221P179-L181 VanDerWaalsContact C-N 3.26Å; P179-L181 WeakPolarHBondContact CB-O 3.04Å; P179-L181 WeakPolarHBondContact CG-O 3.48Å; P179-L181 PolarHBondContact O-N 2.83Å; P179-P221 CarbonylContact C-O 3.57Å; P179-P221 VanDerWaalsContact CA-O 3.3Å; P179-P221 WeakPolarHBondContact CA-O 3.26Å; P179-P221 HydrophobicContact CB-CB 4.18Å
180K93.3Very high92.4Very high111 Ų11168.1 Ų68.148%0.48335%0.352SS..SBendtrans-62.4-35.6176.3-78.7-166.6-168.9162.50112.3P221 H222 T223 H342K180-P221 PolarHBondContact N-O 2.99Å; K180-H222 WeakPolarHBondContact CD-O 3.37Å; K180-H222 WeakPolarHBondContact CE-O 3.47Å; K180-H222 PolarHBondContact NZ-O 2.9Å; K180-T223 WeakPolarHBondContact CB-O 3Å; K180-H342 PolarHBondContact NZ-NE2 3.45Å
181L94.5Very high92.7Very high21 Ų2166.2 Ų66.211%0.1134%0.342CS..SBendtrans-113.8126.7171.6-59.2-179.2000108.1P179 V185 I219 T223 L226P179-L181 VanDerWaalsContact C-N 3.26Å; P179-L181 WeakPolarHBondContact CB-O 3.04Å; P179-L181 WeakPolarHBondContact CG-O 3.48Å; P179-L181 PolarHBondContact O-N 2.83Å; L181-V185 HydrophobicContact CB-CG1 4.22Å; L181-V185 HydrophobicContact CB-CG2 4.21Å; L181-V185 HydrophobicContact CD2-CG1 4.42Å; L181-I219 HydrophobicContact CB-CG2 4.41Å; L181-I219 HydrophobicContact CD1-CG2 4.37Å; L181-T223 HydrophobicContact CD1-CG2 4.08Å; L181-L226 HydrophobicContact CD1-CD2 3.94Å; L181-L226 HydrophobicContact CD1-CG 4.1Å
182N94.2Very high93.2Very high88 Ų8863.9 Ų63.947%0.47133%0.332SS..  trans-76.1162.817264.542.5000110.2S184 V185N182-S184 PolarHBondContact O-N 3.32Å; N182-S184 VanDerWaalsContact O-N 3.11Å; N182-S184 WeakPolarHBondContact OD1-CA 3.36Å; N182-S184 WeakPolarHBondContact OD1-CB 3.12Å; N182-S184 PolarHBondContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.16Å; N182-V185 WeakPolarHBondContact O-CG1 3.06Å; N182-V185 WeakPolarHBondContact O-CG2 3.36Å; N182-V185 PolarHBondContact O-N 3.5Å; N182-V185 PolarHBondContact OD1-N 3.07Å
183D95Very high93.7Very high94 Ų9461.5 Ų61.550%0.50332%0.316SS..THydrogen-bonded Turntrans-63.8-20-179.2-72.8-4.5000113.5V185 I186 L314D183-V185 PolarHBondContact O-N 2.86Å; D183-I186 WeakPolarHBondContact O-CB 3.5Å; D183-I186 VanDerWaalsContact O-CG2 3.22Å; D183-I186 WeakPolarHBondContact O-CG2 3.49Å; D183-I186 PolarHBondContact O-N 3.29Å; D183-I186 VanDerWaalsContact O-N 3.1Å; D183-L314 HydrophobicContact CB-CD1 3.86Å
184S95.2Very high94.1Very high74 Ų7461 Ų6152%0.51731%0.308SS..THydrogen-bonded Turntrans-67-18.1-179.879.40000113.7N182 I186 D187N182-S184 PolarHBondContact O-N 3.32Å; N182-S184 VanDerWaalsContact O-N 3.11Å; N182-S184 WeakPolarHBondContact OD1-CA 3.36Å; N182-S184 WeakPolarHBondContact OD1-CB 3.12Å; N182-S184 PolarHBondContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.16Å; S184-I186 PolarHBondContact O-N 2.98Å; S184-D187 PolarHBondContact O-N 3.05Å; S184-D187 VanDerWaalsContact O-N 3.1Å
185V97Very high94.8Very high8 Ų860.6 Ų60.65%0.04830%0.301CS..Hα-helixtrans-60.6-15.4171.8-53.80000112.6L181 N182 D183 D187 D188 L189 I219 L226 T271L181-V185 HydrophobicContact CB-CG1 4.22Å; L181-V185 HydrophobicContact CB-CG2 4.21Å; L181-V185 HydrophobicContact CD2-CG1 4.42Å; N182-V185 WeakPolarHBondContact O-CG1 3.06Å; N182-V185 WeakPolarHBondContact O-CG2 3.36Å; N182-V185 PolarHBondContact O-N 3.5Å; N182-V185 PolarHBondContact OD1-N 3.07Å; D183-V185 PolarHBondContact O-N 2.86Å; V185-D187 PolarHBondContact O-N 2.03Å; V185-D188 WeakPolarHBondContact O-CB 3.42Å; V185-D188 PolarHBondContact O-N 3.42Å; V185-D188 VanDerWaalsContact O-N 3.09Å; V185-L189 PolarHBondContact O-N 3.06Å; V185-I219 HydrophobicContact CG2-CD1 3.37Å; V185-L226 HydrophobicContact CB-CD1 4.35Å; V185-L226 HydrophobicContact CG2-CD1 3.9Å; V185-T271 HydrophobicContact CB-CG2 3.93Å; V185-T271 HydrophobicContact CG1-CG2 4.29Å; V185-T271 WeakPolarHBondContact CG1-OG1 3.45Å
186I96.7Very high95.3Very high9 Ų957.7 Ų57.75%0.04629%0.289CS..Hα-helixtrans-63.3-32.2174.8-158.464.3000112.3D183 S184 D188 L189 A190 L313 L314 E316 F318D183-I186 WeakPolarHBondContact O-CB 3.5Å; D183-I186 VanDerWaalsContact O-CG2 3.22Å; D183-I186 WeakPolarHBondContact O-CG2 3.49Å; D183-I186 PolarHBondContact O-N 3.29Å; D183-I186 VanDerWaalsContact O-N 3.1Å; S184-I186 PolarHBondContact O-N 2.98Å; I186-D188 VanDerWaalsContact C-N 3.27Å; I186-D188 PolarHBondContact O-N 2.94Å; I186-L189 HydrophobicContact CD1-CB 4.5Å; I186-L189 HydrophobicContact CD1-CD2 4.16Å; I186-L189 PolarHBondContact O-N 2.94Å; I186-A190 WeakPolarHBondContact O-CB 3.29Å; I186-A190 PolarHBondContact O-N 3.23Å; I186-L313 HydrophobicContact CD1-CB 4.23Å; I186-L313 HydrophobicContact CD1-CD2 3.6Å; I186-L313 HydrophobicContact CD1-CG 3.64Å; I186-L313 WeakPolarHBondContact CG1-O 3.3Å; I186-L314 HydrophobicContact CB-CB 4.3Å; I186-L314 HydrophobicContact CB-CD1 4.36Å; I186-L314 HydrophobicContact CG1-CB 4.14Å; I186-L314 HydrophobicContact CG2-CB 4.26Å; I186-E316 HydrophobicContact CG1-CB 3.93Å; I186-E316 HydrophobicContact CG1-CG 3.97Å; I186-E316 HydrophobicContact CG2-CG 4.42Å; I186-F318 HydrophobicContact CD1-CE2 3.55Å; I186-F318 HydrophobicContact CD1-CZ 3.76Å; I186-F318 HydrophobicContact CG1-CE2 4.03Å; I186-F318 HydrophobicContact CG1-CZ 4.22Å
187D96.2Very high95.7Very high59 Ų5951.6 Ų51.632%0.31626%0.264SS..Hα-helixtrans-70.5-26.5175.4-80.1-48.2000111.5R104 S184 V185 Y191 R248R104-D187 IonicContact CZ-OD1 3.97Å; R104-D187 IonicContact NH1-OD1 3.65Å; R104-D187 PolarHBondContact NH1-OD1 2.89Å; R104-D187 IonicContact NH2-OD1 3.55Å; R104-D187 PolarHBondContact NH2-OD1 2.9Å; S184-D187 PolarHBondContact O-N 3.05Å; S184-D187 VanDerWaalsContact O-N 3.1Å; V185-D187 PolarHBondContact O-N 2.03Å; D187-Y191 WeakPolarHBondContact O-CB 3.43Å; D187-Y191 PolarHBondContact O-N 2.85Å; D187-Y191 VanDerWaalsContact O-N 3.13Å; D187-R248 PolarHBondContact O-NH2 2.94Å
188D97.6Very high96.1Very high13 Ų1346 Ų467%0.0726%0.263CS..Hα-helixtrans-72-45.7171.4-74.4-28.7000110.8V185 I186 Y191 F192 R248 A268 N269 T271V185-D188 WeakPolarHBondContact O-CB 3.42Å; V185-D188 PolarHBondContact O-N 3.42Å; V185-D188 VanDerWaalsContact O-N 3.09Å; I186-D188 VanDerWaalsContact C-N 3.27Å; I186-D188 PolarHBondContact O-N 2.94Å; D188-Y191 PolarHBondContact O-N 3.39Å; D188-F192 PolarHBondContact O-N 2.93Å; D188-R248 IonicContact OD1-CZ 2.73Å; D188-R248 IonicContact OD1-NE 3.81Å; D188-R248 PolarHBondContact OD1-NE 2.97Å; D188-R248 IonicContact OD1-NH2 2.67Å; D188-R248 PolarHBondContact OD1-NH2 2.97Å; D188-A268 HydrophobicContact CB-CB 3.66Å; D188-N269 PolarHBondContact OD1-ND2 3.32Å; D188-T271 HydrophobicContact CB-CG2 4.35Å; D188-T271 WeakPolarHBondContact OD2-CB 3.24Å; D188-T271 PolarHBondContact OD2-OG1 2.74Å
189L98.1Very high96.4Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-63.8-42.9176.9-169.364.8000111.9V185 I186 Y191 F192 R193 L205 T209 L226 M228 I273 F318V185-L189 PolarHBondContact O-N 3.06Å; I186-L189 HydrophobicContact CD1-CB 4.5Å; I186-L189 HydrophobicContact CD1-CD2 4.16Å; I186-L189 PolarHBondContact O-N 2.94Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; L189-F192 PolarHBondContact O-N 3.44Å; L189-R193 WeakPolarHBondContact O-CB 3.37Å; L189-R193 PolarHBondContact O-N 3.1Å; L189-L205 HydrophobicContact CD2-CD2 3.87Å; L189-T209 HydrophobicContact CD2-CG2 4.27Å; L189-L226 HydrophobicContact CB-CD1 3.97Å; L189-L226 HydrophobicContact CD1-CB 4.15Å; L189-L226 HydrophobicContact CD1-CD1 4.2Å; L189-L226 HydrophobicContact CD2-CD1 4.18Å; L189-L226 HydrophobicContact CG-CD1 4.34Å; L189-M228 HydrophobicContact CD1-CE 4.01Å; L189-M228 HydrophobicContact CD1-CG 3.76Å; L189-M228 HydrophobicContact CD1-SD 3.66Å; L189-M228 HydrophobicContact CG-SD 4.23Å; L189-I273 HydrophobicContact CD1-CD1 3.98Å; L189-I273 HydrophobicContact CD1-CG1 4.27Å; L189-I273 HydrophobicContact CD1-CG2 3.72Å; L189-F318 HydrophobicContact CB-CE1 4.33Å; L189-F318 HydrophobicContact CB-CZ 4.19Å; L189-F318 HydrophobicContact CD2-CE1 3.91Å; L189-F318 HydrophobicContact CD2-CZ 3.9Å; L189-F318 HydrophobicContact CG-CE1 3.74Å; L189-F318 HydrophobicContact CG-CZ 3.96Å
190A96.6Very high96.6Very high1 Ų145.1 Ų45.11%0.00825%0.248CC..Hα-helixtrans-62.9-39.3175.900000112.1I186 R193 D194 E316 F318I186-A190 WeakPolarHBondContact O-CB 3.29Å; I186-A190 PolarHBondContact O-N 3.23Å; A190-R193 WeakPolarHBondContact O-CB 3.3Å; A190-R193 PolarHBondContact O-N 2.86Å; A190-D194 PolarHBondContact O-N 2.91Å; A190-E316 HydrophobicContact CB-CG 3.89Å; A190-E316 WeakPolarHBondContact CB-OE2 3.45Å; A190-F318 HydrophobicContact CB-CZ 4.16Å
191Y97.4Very high96.8Very high85 Ų8539.8 Ų39.833%0.33323%0.225SC..Hα-helixtrans-62.4-45.7174-173.2-89.8000111.5D187 D188 L189 R193 D194 F195 D246 R248 L249D187-Y191 WeakPolarHBondContact O-CB 3.43Å; D187-Y191 PolarHBondContact O-N 2.85Å; D187-Y191 VanDerWaalsContact O-N 3.13Å; D188-Y191 PolarHBondContact O-N 3.39Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; Y191-R193 VanDerWaalsContact C-N 3.35Å; Y191-R193 PolarHBondContact O-N 2.84Å; Y191-D194 PolarHBondContact O-N 2.86Å; Y191-F195 WeakPolarHBondContact O-CB 3.47Å; Y191-F195 PolarHBondContact O-N 3.41Å; Y191-D246 PolarHBondContact OH-OD2 2.95Å; Y191-R248 HydrophobicContact CD1-CB 4.43Å; Y191-R248 HydrophobicContact CD1-CG 4.37Å; Y191-R248 HydrophobicContact CE1-CB 3.87Å; Y191-R248 HydrophobicContact CE1-CG 4.3Å; Y191-L249 HydrophobicContact CD1-CD1 4.29Å; Y191-L249 HydrophobicContact CD1-CD2 4Å; Y191-L249 HydrophobicContact CD1-CG 4.06Å; Y191-L249 HydrophobicContact CE1-CD1 4.17Å; Y191-L249 HydrophobicContact CE1-CD2 4.36Å; Y191-L249 HydrophobicContact CE1-CG 3.92Å
192F98.5Very high97Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-66.2-37.9177.6-173.8-149.8000112D188 L189 F195 L196 M228 L243 L249 V266 I273 L275D188-F192 PolarHBondContact O-N 2.93Å; L189-F192 PolarHBondContact O-N 3.44Å; F192-F195 HydrophobicContact CD2-CD1 4.09Å; F192-F195 HydrophobicContact CE2-CD1 4.18Å; F192-F195 PolarHBondContact O-N 3.14Å; F192-L196 HydrophobicContact CD2-CD1 4.12Å; F192-L196 HydrophobicContact CD2-CG 3.98Å; F192-L196 HydrophobicContact CE1-CD1 4.19Å; F192-L196 HydrophobicContact CE2-CD1 3.78Å; F192-L196 HydrophobicContact CE2-CD2 3.82Å; F192-L196 HydrophobicContact CE2-CG 3.69Å; F192-L196 HydrophobicContact CG-CD1 4.46Å; F192-L196 HydrophobicContact CZ-CD1 3.82Å; F192-L196 HydrophobicContact CZ-CD2 4.26Å; F192-L196 HydrophobicContact CZ-CG 4.21Å; F192-L196 WeakPolarHBondContact O-CG 3.17Å; F192-L196 PolarHBondContact O-N 3.42Å; F192-M228 HydrophobicContact CB-CE 4.21Å; F192-M228 HydrophobicContact CD1-CE 3.09Å; F192-M228 HydrophobicContact CE1-CE 3.48Å; F192-M228 VanDerWaalsContact CE1-CE 3.48Å; F192-M228 HydrophobicContact CG-CE 3.78Å; F192-M228 HydrophobicContact CZ-CE 4.45Å; F192-L243 HydrophobicContact CE2-CD2 4.1Å; F192-L249 HydrophobicContact CB-CD2 4.21Å; F192-L249 HydrophobicContact CD2-CD1 3.76Å; F192-L249 HydrophobicContact CD2-CD2 4.43Å; F192-L249 HydrophobicContact CE2-CD1 4.44Å; F192-L249 HydrophobicContact CG-CD2 4.49Å; F192-V266 HydrophobicContact CE1-CB 4.3Å; F192-V266 HydrophobicContact CE1-CG2 4.3Å; F192-V266 HydrophobicContact CE2-CG2 4.24Å; F192-V266 HydrophobicContact CZ-CB 4.23Å; F192-V266 HydrophobicContact CZ-CG2 3.8Å; F192-I273 HydrophobicContact CB-CD1 4.06Å; F192-I273 HydrophobicContact CD1-CB 4.1Å; F192-I273 HydrophobicContact CD1-CD1 3.96Å; F192-I273 HydrophobicContact CD1-CG2 3.76Å; F192-I273 HydrophobicContact CE1-CB 4.38Å; F192-I273 HydrophobicContact CE1-CG2 3.99Å; F192-I273 HydrophobicContact CG-CD1 4.44Å; F192-L275 HydrophobicContact CE1-CB 4.13Å; F192-L275 HydrophobicContact CZ-CB 4.19Å; F192-L275 HydrophobicContact CZ-CD2 3.94Å
193R97.8Very high97.2Very high12 Ų1236.3 Ų36.35%0.04521%0.208CC..Hα-helixtrans-53.7-54.1169.5171.5-153.668.2-145.8-7.8111L189 A190 Y191 F195 L196 L197 P203 E316 L317 F318L189-R193 WeakPolarHBondContact O-CB 3.37Å; L189-R193 PolarHBondContact O-N 3.1Å; A190-R193 WeakPolarHBondContact O-CB 3.3Å; A190-R193 PolarHBondContact O-N 2.86Å; Y191-R193 VanDerWaalsContact C-N 3.35Å; Y191-R193 PolarHBondContact O-N 2.84Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-L197 HydrophobicContact CG-CD1 3.92Å; R193-L197 HydrophobicContact CG-CG 4.42Å; R193-L197 VanDerWaalsContact O-CG 3.32Å; R193-L197 WeakPolarHBondContact O-CG 3.08Å; R193-L197 PolarHBondContact O-N 3.04Å; R193-P203 HydrophobicContact CB-CG 4.21Å; R193-P203 HydrophobicContact CG-CG 4Å; R193-E316 IonicContact CZ-OE2 3.57Å; R193-E316 IonicContact NH1-OE2 3.19Å; R193-E316 PolarHBondContact NH1-OE2 3.21Å; R193-E316 IonicContact NH2-OE2 3.01Å; R193-E316 PolarHBondContact NH2-OE2 3.37Å; R193-E316 VanDerWaalsContact NH2-OE2 3.09Å; R193-L317 WeakPolarHBondContact CD-O 3.33Å; R193-L317 PolarHBondContact NH1-O 2.97Å; R193-F318 HydrophobicContact CB-CD1 4.3Å; R193-F318 HydrophobicContact CB-CE1 4.03Å; R193-F318 HydrophobicContact CG-CD1 4.29Å; R193-F318 HydrophobicContact CG-CE1 4.44Å
194D96.9Very high97.3Very high60 Ų6032.2 Ų32.232%0.32119%0.186SC..Hα-helixtrans-66.8-35.3-176-69.1-27.4000112.2R122 A190 Y191 L197 G198R122-D194 IonicContact NH1-OD1 3.6Å; R122-D194 PolarHBondContact NH1-OD1 3.38Å; A190-D194 PolarHBondContact O-N 2.91Å; Y191-D194 PolarHBondContact O-N 2.86Å; D194-L197 PolarHBondContact O-N 2.86Å; D194-G198 PolarHBondContact O-N 2.9Å
195F98.3Very high97.5Very high34 Ų3428.7 Ų28.715%0.14916%0.161CC..Hα-helixtrans-57.7-49.5170.6171.5-87.4000111.6Y191 F192 R193 G198 L199 L239 A242 L243 D246 L249Y191-F195 WeakPolarHBondContact O-CB 3.47Å; Y191-F195 PolarHBondContact O-N 3.41Å; F192-F195 HydrophobicContact CD2-CD1 4.09Å; F192-F195 HydrophobicContact CE2-CD1 4.18Å; F192-F195 PolarHBondContact O-N 3.14Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 2.87Å; F195-G198 PolarHBondContact O-N 3.15Å; F195-L199 HydrophobicContact CD1-CD1 4.48Å; F195-L199 HydrophobicContact CE1-CD1 3.79Å; F195-L199 HydrophobicContact CZ-CD1 3.99Å; F195-L199 PolarHBondContact O-N 2.87Å; F195-L239 HydrophobicContact CE1-CD1 3.83Å; F195-A242 HydrophobicContact CE2-CB 4.29Å; F195-A242 HydrophobicContact CZ-CB 3.7Å; F195-L243 HydrophobicContact CD1-CD2 4.27Å; F195-L243 HydrophobicContact CE1-CD2 3.59Å; F195-L243 HydrophobicContact CE1-CG 3.86Å; F195-L243 HydrophobicContact CZ-CD2 3.84Å; F195-L243 HydrophobicContact CZ-CG 3.93Å; F195-D246 HydrophobicContact CE2-CB 4.28Å; F195-L249 HydrophobicContact CB-CD1 3.94Å; F195-L249 HydrophobicContact CD1-CD1 3.89Å; F195-L249 HydrophobicContact CD2-CD1 3.86Å; F195-L249 HydrophobicContact CE1-CD1 4.39Å; F195-L249 HydrophobicContact CE2-CD1 4.35Å; F195-L249 HydrophobicContact CG-CD1 3.61Å
196L98.5Very high97.6Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-65.1-42179-69.3172.4000111.8F192 R193 G198 L199 N200 I201 P203 M228 L239 L275F192-L196 HydrophobicContact CD2-CD1 4.12Å; F192-L196 HydrophobicContact CD2-CG 3.98Å; F192-L196 HydrophobicContact CE1-CD1 4.19Å; F192-L196 HydrophobicContact CE2-CD1 3.78Å; F192-L196 HydrophobicContact CE2-CD2 3.82Å; F192-L196 HydrophobicContact CE2-CG 3.69Å; F192-L196 HydrophobicContact CG-CD1 4.46Å; F192-L196 HydrophobicContact CZ-CD1 3.82Å; F192-L196 HydrophobicContact CZ-CD2 4.26Å; F192-L196 HydrophobicContact CZ-CG 4.21Å; F192-L196 WeakPolarHBondContact O-CG 3.17Å; F192-L196 PolarHBondContact O-N 3.42Å; R193-L196 PolarHBondContact O-N 3.43Å; L196-G198 VanDerWaalsContact C-N 3.26Å; L196-G198 PolarHBondContact O-N 2.79Å; L196-L199 CarbonylContact O-C 3.57Å; L196-L199 WeakPolarHBondContact O-CA 3.31Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 2.78Å; L196-N200 PolarHBondContact O-N 3.11Å; L196-I201 CarbonylContact C-O 3.47Å; L196-I201 HydrophobicContact CB-CB 4.18Å; L196-I201 HydrophobicContact CB-CG2 4.38Å; L196-I201 HydrophobicContact CD2-CB 4.46Å; L196-I201 HydrophobicContact CD2-CD1 4.2Å; L196-I201 HydrophobicContact CD2-CG2 4.34Å; L196-I201 WeakPolarHBondContact O-CB 3.49Å; L196-I201 PolarHBondContact O-N 2.86Å; L196-I201 VanDerWaalsContact O-O 3.07Å; L196-P203 HydrophobicContact CB-CG 4.09Å; L196-P203 HydrophobicContact CD1-CB 3.76Å; L196-P203 HydrophobicContact CD1-CG 3.93Å; L196-M228 HydrophobicContact CD1-CE 3.93Å; L196-L239 HydrophobicContact CD2-CD1 3.75Å; L196-L275 HydrophobicContact CD1-CD1 4.19Å; L196-L275 HydrophobicContact CD1-CD2 3.99Å; L196-L275 HydrophobicContact CD2-CD2 4.04Å
197L96.1Very high97.6Very high49 Ų4928.4 Ų28.426%0.25716%0.161SC..Hα-helixtrans-59.6-37.6175.1-71.8174000111.7R193 D194 L199 N200 I201 T202R193-L197 HydrophobicContact CG-CD1 3.92Å; R193-L197 HydrophobicContact CG-CG 4.42Å; R193-L197 VanDerWaalsContact O-CG 3.32Å; R193-L197 WeakPolarHBondContact O-CG 3.08Å; R193-L197 PolarHBondContact O-N 3.04Å; D194-L197 PolarHBondContact O-N 2.86Å; L197-L199 PolarHBondContact O-N 3.05Å; L197-N200 WeakPolarHBondContact O-CA 3.43Å; L197-N200 PolarHBondContact O-N 2.84Å; L197-I201 WeakPolarHBondContact CA-O 3.16Å; L197-I201 PolarHBondContact N-O 3.39Å; L197-T202 HydrophobicContact CD2-CG2 4.46Å
198G96.3Very high97.6Very high64 Ų6426.1 Ų26.166%0.6615%0.152SC*.Hα-helixtrans-60.5-22173.500000114.1D194 F195 L196D194-G198 PolarHBondContact O-N 2.9Å; F195-G198 PolarHBondContact O-N 3.15Å; L196-G198 VanDerWaalsContact C-N 3.26Å; L196-G198 PolarHBondContact O-N 2.79Å
199L97.7Very high97.6Very high41 Ų4125.9 Ų25.922%0.21515%0.15CC..THydrogen-bonded Turntrans-96.99174.2-61.3175.3000113.2F195 L196 L197 I201 L239 A242F195-L199 HydrophobicContact CD1-CD1 4.48Å; F195-L199 HydrophobicContact CE1-CD1 3.79Å; F195-L199 HydrophobicContact CZ-CD1 3.99Å; F195-L199 PolarHBondContact O-N 2.87Å; L196-L199 CarbonylContact O-C 3.57Å; L196-L199 WeakPolarHBondContact O-CA 3.31Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 2.78Å; L197-L199 PolarHBondContact O-N 3.05Å; L199-I201 HydrophobicContact CB-CD1 4.09Å; L199-I201 HydrophobicContact CB-CG1 4.29Å; L199-I201 PolarHBondContact O-N 2.81Å; L199-L239 HydrophobicContact CD1-CD1 3.66Å; L199-A242 HydrophobicContact CD1-CB 3.89Å; L199-A242 HydrophobicContact CD2-CB 4.3Å
200N96.7Very high97.6Very high124 Ų12425.9 Ų25.966%0.66315%0.15SC*.THydrogen-bonded Turntrans57.234.8-171.6-58.7-57.9000113.1L196 L197L196-N200 PolarHBondContact O-N 3.11Å; L197-N200 WeakPolarHBondContact O-CA 3.43Å; L197-N200 PolarHBondContact O-N 2.84Å
201I98.2Very high97.7Very high0 Ų026.1 Ų26.10%015%0.151CC..  trans-104.8117.8169-60.2167000105.8L196 L197 L199 P203 A230 L234 K236 L239L196-I201 CarbonylContact C-O 3.47Å; L196-I201 HydrophobicContact CB-CB 4.18Å; L196-I201 HydrophobicContact CB-CG2 4.38Å; L196-I201 HydrophobicContact CD2-CB 4.46Å; L196-I201 HydrophobicContact CD2-CD1 4.2Å; L196-I201 HydrophobicContact CD2-CG2 4.34Å; L196-I201 WeakPolarHBondContact O-CB 3.49Å; L196-I201 PolarHBondContact O-N 2.86Å; L196-I201 VanDerWaalsContact O-O 3.07Å; L197-I201 WeakPolarHBondContact CA-O 3.16Å; L197-I201 PolarHBondContact N-O 3.39Å; L199-I201 HydrophobicContact CB-CD1 4.09Å; L199-I201 HydrophobicContact CB-CG1 4.29Å; L199-I201 PolarHBondContact O-N 2.81Å; I201-P203 WeakPolarHBondContact O-CD 3.09Å; I201-A230 HydrophobicContact CG2-CB 3.68Å; I201-L234 WeakPolarHBondContact CG1-O 3.24Å; I201-K236 HydrophobicContact CD1-CB 4.46Å; I201-K236 HydrophobicContact CD1-CG 4.17Å; I201-K236 HydrophobicContact CG1-CG 4.16Å; I201-L239 HydrophobicContact CD1-CB 4.49Å; I201-L239 HydrophobicContact CD1-CD1 4.12Å; I201-L239 HydrophobicContact CD1-CD2 4.02Å; I201-L239 HydrophobicContact CD1-CG 4.45Å
202T97.3Very high97.6Very high32 Ų3222 Ų2220%0.19614%0.136CC..  trans-91.5101.5178.2-56.80000109.2L197 L308L197-T202 HydrophobicContact CD2-CG2 4.46Å; T202-L308 HydrophobicContact CG2-CD1 3.9Å
203P98.5Very high97.6Very high4 Ų422.1 Ų22.13%0.02614%0.136CC..  trans-79.7157.5173.634.6-36.2000111R193 L196 I201 M228 A229 S319R193-P203 HydrophobicContact CB-CG 4.21Å; R193-P203 HydrophobicContact CG-CG 4Å; L196-P203 HydrophobicContact CB-CG 4.09Å; L196-P203 HydrophobicContact CD1-CB 3.76Å; L196-P203 HydrophobicContact CD1-CG 3.93Å; I201-P203 WeakPolarHBondContact O-CD 3.09Å; P203-M228 HydrophobicContact CB-CB 4.49Å; P203-M228 HydrophobicContact CB-CE 4.28Å; P203-M228 HydrophobicContact CB-SD 3.89Å; P203-M228 HydrophobicContact CG-SD 4.33Å; P203-A229 CarbonylContact C-O 3.51Å; P203-A229 VanDerWaalsContact CA-O 3.27Å; P203-A229 WeakPolarHBondContact CA-O 3.17Å; P203-S319 WeakPolarHBondContact O-CB 3.33Å
204Y98.7Very high97.6Very high8 Ų822.5 Ų22.53%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-139.9155.7171.350.5-89.5000110.7F206 M228 A229 V278 I305 L308 S319 P321Y204-F206 HydrophobicContact CD2-CD2 4.22Å; Y204-F206 AromaticContact CE2-CD2 3.77Å; Y204-F206 HydrophobicContact CE2-CD2 3.77Å; Y204-F206 HydrophobicContact CE2-CE2 4.19Å; Y204-M228 CarbonylContact O-C 3.57Å; Y204-M228 VanDerWaalsContact O-CA 3.24Å; Y204-M228 WeakPolarHBondContact O-CA 3.41Å; Y204-A229 VanDerWaalsContact CD1-O 3.22Å; Y204-A229 WeakPolarHBondContact CD1-O 3.42Å; Y204-A229 HydrophobicContact CD2-CB 4.06Å; Y204-A229 HydrophobicContact CE1-CB 4.42Å; Y204-A229 WeakPolarHBondContact CE1-O 3.31Å; Y204-A229 HydrophobicContact CE2-CB 3.53Å; Y204-A229 PolarHBondContact N-O 3.27Å; Y204-A229 PolarHBondContact O-N 2.76Å; Y204-V278 WeakPolarHBondContact OH-CG2 3.49Å; Y204-I305 HydrophobicContact CE2-CD1 4.21Å; Y204-L308 HydrophobicContact CD1-CD1 3.7Å; Y204-L308 HydrophobicContact CD1-CD2 3.57Å; Y204-L308 HydrophobicContact CD1-CG 4.3Å; Y204-L308 HydrophobicContact CD2-CD2 4.31Å; Y204-L308 HydrophobicContact CE1-CD1 4.31Å; Y204-L308 HydrophobicContact CE1-CD2 3.92Å; Y204-L308 HydrophobicContact CG-CD1 4.41Å; Y204-L308 HydrophobicContact CG-CD2 3.76Å; Y204-S319 CarbonylContact C-O 3.48Å; Y204-S319 WeakPolarHBondContact CA-O 3.35Å; Y204-S319 VanDerWaalsContact CB-C 3.46Å; Y204-S319 WeakPolarHBondContact CB-O 3.29Å; Y204-P321 HydrophobicContact CD2-CG 3.93Å; Y204-P321 HydrophobicContact CE2-CG 4Å
205L98.8Very high97.6Very high0 Ų020.1 Ų20.10%012%0.124CC..EExtended strand (participates in β ladder)trans-62.8139.5176.7-51.9-178.4000109.8L189 T209 L210 W213 L313 F318 S319 V320L189-L205 HydrophobicContact CD2-CD2 3.87Å; L205-T209 HydrophobicContact CB-CG2 4.45Å; L205-T209 HydrophobicContact CD2-CG2 3.97Å; L205-L210 HydrophobicContact CB-CB 4.36Å; L205-L210 HydrophobicContact CB-CD1 4.26Å; L205-W213 HydrophobicContact CD1-CB 4.03Å; L205-W213 HydrophobicContact CD1-CD2 4.48Å; L205-W213 HydrophobicContact CD1-CG 4.08Å; L205-L313 HydrophobicContact CD1-CB 4.35Å; L205-L313 HydrophobicContact CD1-CD2 3.94Å; L205-L313 HydrophobicContact CD2-CD2 4.49Å; L205-F318 HydrophobicContact CD1-CB 4.14Å; L205-F318 HydrophobicContact CD1-CG 4.46Å; L205-F318 HydrophobicContact CD2-CB 3.86Å; L205-F318 HydrophobicContact CD2-CD1 3.82Å; L205-F318 HydrophobicContact CD2-CD2 4.26Å; L205-F318 HydrophobicContact CD2-CE1 4.46Å; L205-F318 HydrophobicContact CD2-CG 3.71Å; L205-F318 HydrophobicContact CG-CB 3.79Å; L205-F318 HydrophobicContact CG-CG 4.18Å; L205-S319 PolarHBondContact N-O 2.79Å; L205-V320 HydrophobicContact CB-CG1 4.08Å; L205-V320 HydrophobicContact CD1-CG1 4.09Å; L205-V320 HydrophobicContact CG-CG1 4.15Å
206F98.6Very high97.4Very high3 Ų318.7 Ų18.71%0.01312%0.118CC..  trans-140176.6-178.6-151.1-119000111.5Y204 G208 T209 L210 D227 A229 F276 V287 Y302 I305 I327Y204-F206 HydrophobicContact CD2-CD2 4.22Å; Y204-F206 AromaticContact CE2-CD2 3.77Å; Y204-F206 HydrophobicContact CE2-CD2 3.77Å; Y204-F206 HydrophobicContact CE2-CE2 4.19Å; F206-G208 PolarHBondContact O-N 3.19Å; F206-T209 WeakPolarHBondContact O-CB 3.16Å; F206-T209 PolarHBondContact O-N 3.13Å; F206-T209 VanDerWaalsContact O-N 3.13Å; F206-L210 PolarHBondContact O-N 3.4Å; F206-D227 PolarHBondContact N-O 3.17Å; F206-D227 VanDerWaalsContact O-CB 3.27Å; F206-D227 WeakPolarHBondContact O-CB 3.47Å; F206-A229 HydrophobicContact CB-CB 3.64Å; F206-A229 HydrophobicContact CD1-CB 3.89Å; F206-A229 HydrophobicContact CD2-CB 3.89Å; F206-A229 HydrophobicContact CG-CB 3.52Å; F206-F276 HydrophobicContact CD1-CD2 4.27Å; F206-V287 HydrophobicContact CE1-CG1 3.92Å; F206-V287 HydrophobicContact CE1-CG2 4.36Å; F206-V287 HydrophobicContact CZ-CG1 4.26Å; F206-Y302 HydrophobicContact CE1-CE1 4.46Å; F206-Y302 HydrophobicContact CE1-CE2 4.01Å; F206-Y302 AromaticContact CE1-CZ 3.78Å; F206-Y302 HydrophobicContact CZ-CD1 4.31Å; F206-Y302 HydrophobicContact CZ-CD2 4.14Å; F206-Y302 AromaticContact CZ-CE1 3.82Å; F206-Y302 HydrophobicContact CZ-CE1 3.82Å; F206-Y302 AromaticContact CZ-CE2 3.63Å; F206-Y302 HydrophobicContact CZ-CE2 3.63Å; F206-Y302 HydrophobicContact CZ-CG 4.46Å; F206-Y302 AromaticContact CZ-CZ 3.47Å; F206-Y302 VanDerWaalsContact CZ-CZ 3.47Å; F206-I305 HydrophobicContact CE2-CD1 3.87Å; F206-I305 HydrophobicContact CZ-CD1 4.48Å; F206-I327 HydrophobicContact CE2-CG2 3.9Å; F206-I327 HydrophobicContact CZ-CG2 4.47Å
207G96.8Very high97.3Very high7 Ų720.2 Ų20.27%0.07213%0.128CC..Hα-helixtrans48.1-134.2171.700000115.4T209 L210 L211G207-T209 PolarHBondContact O-N 2.96Å; G207-L210 PolarHBondContact O-N 3.18Å; G207-L211 PolarHBondContact O-N 3.28Å
208G96Very high97.3Very high12 Ų1218.3 Ų18.312%0.12412%0.12CC..Hα-helixtrans-64.5-26.4-178.700000113F206 G212 I220 D227 Y332F206-G208 PolarHBondContact O-N 3.19Å; G208-G212 PolarHBondContact O-N 3.4Å; G208-I220 WeakPolarHBondContact O-CD1 3.42Å; G208-D227 PolarHBondContact N-OD2 2.93Å; G208-Y332 PolarHBondContact N-OH 3.33Å
209T98.4Very high97.3Very high7 Ų716.1 Ų16.14%0.0439%0.093CC..Hα-helixtrans-73.3-43177.2-57.40000112.2L189 L205 F206 G207 L211 G212 W213 L226 D227 L313L189-T209 HydrophobicContact CD2-CG2 4.27Å; L205-T209 HydrophobicContact CB-CG2 4.45Å; L205-T209 HydrophobicContact CD2-CG2 3.97Å; F206-T209 WeakPolarHBondContact O-CB 3.16Å; F206-T209 PolarHBondContact O-N 3.13Å; F206-T209 VanDerWaalsContact O-N 3.13Å; G207-T209 PolarHBondContact O-N 2.96Å; T209-L211 VanDerWaalsContact C-N 3.34Å; T209-G212 PolarHBondContact O-N 3.07Å; T209-W213 WeakPolarHBondContact O-CB 2.93Å; T209-W213 PolarHBondContact O-N 2.88Å; T209-L226 HydrophobicContact CG2-CD2 4.37Å; T209-L226 VanDerWaalsContact OG1-CA 3.26Å; T209-L226 WeakPolarHBondContact OG1-CA 3.47Å; T209-D227 WeakPolarHBondContact CB-O 3.27Å; T209-D227 PolarHBondContact N-OD2 3.01Å; T209-D227 PolarHBondContact OG1-N 3.39Å; T209-L313 HydrophobicContact CG2-CD2 4.27Å
210L98.6Very high97.1Very high0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-62.2-43.1172.6-177.769.8000110.8L205 F206 G207 W213 Y214 V320 P321 V324 I327 L328L205-L210 HydrophobicContact CB-CB 4.36Å; L205-L210 HydrophobicContact CB-CD1 4.26Å; F206-L210 PolarHBondContact O-N 3.4Å; G207-L210 PolarHBondContact O-N 3.18Å; L210-W213 HydrophobicContact CD1-CE3 3.81Å; L210-W213 HydrophobicContact CD1-CZ3 3.93Å; L210-Y214 WeakPolarHBondContact O-CB 3.36Å; L210-Y214 PolarHBondContact O-N 3.33Å; L210-V320 HydrophobicContact CD1-CB 3.97Å; L210-V320 HydrophobicContact CD1-CG1 3.73Å; L210-P321 HydrophobicContact CD2-CG 4.36Å; L210-V324 HydrophobicContact CD1-CG1 4.13Å; L210-V324 HydrophobicContact CD2-CG1 4.35Å; L210-V324 HydrophobicContact CG-CG1 4.18Å; L210-I327 HydrophobicContact CD2-CB 4.43Å; L210-I327 HydrophobicContact CD2-CG2 3.96Å; L210-L328 HydrophobicContact CD2-CD2 4.18Å; L210-L328 HydrophobicContact CG-CD2 4.25Å
211L97.1Very high96.8Very high6 Ų69.8 Ų9.83%0.0316%0.06CC..Hα-helixtrans-60.8-49.6176.1177.262.8000111.5G207 T209 Y214 R215 I220 L328 Y332 W336G207-L211 PolarHBondContact O-N 3.28Å; T209-L211 VanDerWaalsContact C-N 3.34Å; L211-Y214 PolarHBondContact O-N 3.28Å; L211-R215 HydrophobicContact CD1-CB 4.24Å; L211-R215 WeakPolarHBondContact O-CB 3.44Å; L211-R215 PolarHBondContact O-N 2.8Å; L211-I220 HydrophobicContact CB-CD1 4.31Å; L211-I220 HydrophobicContact CD2-CD1 3.9Å; L211-I220 HydrophobicContact CG-CD1 4.05Å; L211-L328 HydrophobicContact CB-CD2 3.87Å; L211-L328 HydrophobicContact CD1-CD1 4.19Å; L211-L328 HydrophobicContact CD1-CD2 4.15Å; L211-Y332 HydrophobicContact CB-CE2 3.98Å; L211-Y332 HydrophobicContact CD1-CD2 4.39Å; L211-Y332 HydrophobicContact CD1-CE2 4.39Å; L211-Y332 HydrophobicContact CD2-CD1 4.27Å; L211-Y332 HydrophobicContact CD2-CD2 4.12Å; L211-Y332 HydrophobicContact CD2-CE1 3.88Å; L211-Y332 HydrophobicContact CD2-CE2 3.72Å; L211-Y332 HydrophobicContact CD2-CG 4.4Å; L211-Y332 HydrophobicContact CG-CE2 4.24Å; L211-W336 HydrophobicContact CD1-CE3 3.9Å
212G96.3Very high96.4Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-58.3-49.2178.500000112.1G208 T209 E216 C217 G218 I220G208-G212 PolarHBondContact O-N 3.4Å; T209-G212 PolarHBondContact O-N 3.07Å; G212-E216 CarbonylContact O-C 3.54Å; G212-E216 WeakPolarHBondContact O-CA 3.34Å; G212-E216 WeakPolarHBondContact O-CB 3.49Å; G212-E216 PolarHBondContact O-N 3.24Å; G212-C217 PolarHBondContact O-N 3.04Å; G212-G218 CarbonylContact C-O 3.14Å; G212-G218 WeakPolarHBondContact CA-O 3.22Å; G212-G218 PolarHBondContact O-N 3.47Å; G212-G218 VanDerWaalsContact O-O 3.07Å; G212-I220 VanDerWaalsContact CA-CG1 3.48Å
213W98.3Very high96.1Very high1 Ų111.9 Ų11.90%0.0047%0.069CC..Hα-helixtrans-57.7-54.5176.7164.272.6000110.8I157 C159 L205 T209 L210 C217 G218 A311 E312 L313 V320 V324I157-W213 HydrophobicContact CB-CH2 4.17Å; I157-W213 HydrophobicContact CG2-CH2 3.82Å; I157-W213 HydrophobicContact CG2-CZ2 4.38Å; I157-W213 WeakPolarHBondContact O-CZ2 3.13Å; C159-W213 WeakPolarHBondContact CB-O 3.32Å; L205-W213 HydrophobicContact CD1-CB 4.03Å; L205-W213 HydrophobicContact CD1-CD2 4.48Å; L205-W213 HydrophobicContact CD1-CG 4.08Å; T209-W213 WeakPolarHBondContact O-CB 2.93Å; T209-W213 PolarHBondContact O-N 2.88Å; L210-W213 HydrophobicContact CD1-CE3 3.81Å; L210-W213 HydrophobicContact CD1-CZ3 3.93Å; W213-C217 WeakPolarHBondContact O-CA 3.21Å; W213-C217 PolarHBondContact O-N 2.92Å; W213-G218 PolarHBondContact N-O 2.88Å; W213-G218 VanDerWaalsContact N-O 3.08Å; W213-A311 HydrophobicContact CD2-CB 4.19Å; W213-A311 VanDerWaalsContact CE2-CB 3.45Å; W213-A311 HydrophobicContact CH2-CB 3.87Å; W213-A311 HydrophobicContact CZ2-CB 3.28Å; W213-E312 VanDerWaalsContact CD1-O 3.25Å; W213-E312 PolarHBondContact NE1-O 3.24Å; W213-L313 HydrophobicContact CB-CD1 4.03Å; W213-L313 HydrophobicContact CB-CD2 4.48Å; W213-L313 HydrophobicContact CG-CD1 4.44Å; W213-V320 HydrophobicContact CD2-CG1 4.49Å; W213-V320 HydrophobicContact CE3-CG1 4Å; W213-V320 HydrophobicContact CH2-CB 4.47Å; W213-V320 HydrophobicContact CH2-CG1 4.16Å; W213-V320 HydrophobicContact CH2-CG2 3.99Å; W213-V320 HydrophobicContact CZ3-CB 4.22Å; W213-V320 HydrophobicContact CZ3-CG1 3.81Å; W213-V320 HydrophobicContact CZ3-CG2 4.21Å; W213-V324 HydrophobicContact CH2-CG2 4.3Å; W213-V324 HydrophobicContact CZ3-CG1 4.11Å; W213-V324 HydrophobicContact CZ3-CG2 3.91Å
214Y98Very high95.9Very high20 Ų2014.7 Ų14.78%0.0789%0.089CC..Hα-helixtrans-71.1-39.5-170.5-164.9-121.5000112.8I157 R160 L210 L211 V324 N325 L328 W336I157-Y214 HydrophobicContact CG2-CE2 4.1Å; R160-Y214 VanDerWaalsContact CB-O 3.26Å; R160-Y214 WeakPolarHBondContact CB-O 3.44Å; R160-Y214 HydrophobicContact CG-CD1 4.31Å; R160-Y214 HydrophobicContact CG-CD2 4.43Å; R160-Y214 HydrophobicContact CG-CE1 3.88Å; R160-Y214 HydrophobicContact CG-CE2 4.03Å; R160-Y214 PolarHBondContact N-O 2.9Å; L210-Y214 WeakPolarHBondContact O-CB 3.36Å; L210-Y214 PolarHBondContact O-N 3.33Å; L211-Y214 PolarHBondContact O-N 3.28Å; Y214-V324 HydrophobicContact CD1-CG1 3.65Å; Y214-V324 HydrophobicContact CD2-CB 4.47Å; Y214-V324 HydrophobicContact CD2-CG1 3.91Å; Y214-V324 HydrophobicContact CE1-CB 4.48Å; Y214-V324 HydrophobicContact CE1-CG1 4.07Å; Y214-V324 HydrophobicContact CE2-CB 4.44Å; Y214-V324 HydrophobicContact CE2-CG1 4.3Å; Y214-V324 HydrophobicContact CG-CG1 3.56Å; Y214-N325 VanDerWaalsContact CE1-OD1 3.25Å; Y214-N325 WeakPolarHBondContact CE1-OD1 3.47Å; Y214-N325 PolarHBondContact OH-ND2 2.85Å; Y214-L328 HydrophobicContact CD1-CD1 3.68Å; Y214-L328 HydrophobicContact CG-CD1 4.29Å; Y214-W336 AromaticContact CD1-CH2 3.53Å; Y214-W336 HydrophobicContact CD1-CH2 3.53Å; Y214-W336 HydrophobicContact CD1-CZ2 4.39Å; Y214-W336 AromaticContact CD1-CZ3 3.84Å; Y214-W336 HydrophobicContact CD1-CZ3 3.84Å; Y214-W336 AromaticContact CE1-CH2 3.55Å; Y214-W336 HydrophobicContact CE1-CH2 3.55Å; Y214-W336 HydrophobicContact CE1-CZ2 4.13Å; Y214-W336 HydrophobicContact CE1-CZ3 4.33Å
215R95.7Very high95.8Very high10 Ų1015.5 Ų15.54%0.0389%0.094CC..Hα-helixtrans-87.2-36.2-175.8-174.6178.566.6-166.42113.6M163 A164 M167 L211 W336 S337 H338M163-R215 CarbonylContact C-O 3.46Å; A164-R215 VanDerWaalsContact CA-O 3.25Å; A164-R215 WeakPolarHBondContact CA-O 3.4Å; A164-R215 PolarHBondContact N-O 2.89Å; A164-R215 VanDerWaalsContact N-O 3.16Å; M167-R215 HydrophobicContact CE-CG 4.31Å; M167-R215 HydrophobicContact CG-CG 4.18Å; L211-R215 HydrophobicContact CD1-CB 4.24Å; L211-R215 WeakPolarHBondContact O-CB 3.44Å; L211-R215 PolarHBondContact O-N 2.8Å; R215-W336 HydrophobicContact CB-CZ3 4.26Å; R215-W336 PolarHBondContact NH1-O 2.84Å; R215-S337 WeakPolarHBondContact CD-O 3.21Å; R215-H338 PolarHBondContact NH1-O 2.96Å
216E94.5Very high95.8Very high4 Ų415.6 Ų15.62%0.0199%0.094CC..Hα-helixtrans-118.8-2.7-168.1-59.7175.4-14600112.9M167 R168 Y175 G212 G218 P221M167-E216 HydrophobicContact CE-CG 4.33Å; R168-E216 PolarHBondContact NH2-O 3.4Å; Y175-E216 WeakPolarHBondContact CE1-OE2 3.22Å; Y175-E216 WeakPolarHBondContact OH-CG 3.5Å; Y175-E216 PolarHBondContact OH-OE2 3.35Å; G212-E216 CarbonylContact O-C 3.54Å; G212-E216 WeakPolarHBondContact O-CA 3.34Å; G212-E216 WeakPolarHBondContact O-CB 3.49Å; G212-E216 PolarHBondContact O-N 3.24Å; E216-G218 PolarHBondContact O-N 3.16Å; E216-P221 WeakPolarHBondContact OE2-CD 3.3Å
217C96.6Very high95.8Very high33 Ų3316.2 Ų16.222%0.22310%0.098CC..SBendtrans54.236.6-175.3-62.90000112.2C159 A164 G212 W213C159-C217 HydrophobicContact CB-CB 3.93Å; C159-C217 WeakPolarHBondContact CB-SG 3.41Å; C159-C217 WeakPolarHBondContact SG-CB 3.5Å; C159-C217 CovalentContact SG-SG 2.03Å; C159-C217 PolarHBondContact SG-SG 3.31Å; A164-C217 HydrophobicContact CB-CB 4.19Å; G212-C217 PolarHBondContact O-N 3.04Å; W213-C217 WeakPolarHBondContact O-CA 3.21Å; W213-C217 PolarHBondContact O-N 2.92Å
218G96.5Very high95.9Very high8 Ų815.9 Ų15.98%0.0829%0.094CC..SBendtrans-175.9-157.9-173.700000112.4G212 W213 E216G212-G218 CarbonylContact C-O 3.14Å; G212-G218 WeakPolarHBondContact CA-O 3.22Å; G212-G218 PolarHBondContact O-N 3.47Å; G212-G218 VanDerWaalsContact O-O 3.07Å; W213-G218 PolarHBondContact N-O 2.88Å; W213-G218 VanDerWaalsContact N-O 3.08Å; E216-G218 PolarHBondContact O-N 3.16Å
219I95.7Very high96Very high19 Ų1915.3 Ų15.310%0.0979%0.089CC..  trans-96.4138.3175.8-60.9168.8000108.6L181 V185 P221 T223 L226 L314L181-I219 HydrophobicContact CB-CG2 4.41Å; L181-I219 HydrophobicContact CD1-CG2 4.37Å; V185-I219 HydrophobicContact CG2-CD1 3.37Å; I219-P221 WeakPolarHBondContact O-CD 3.25Å; I219-T223 HydrophobicContact CG2-CG2 3.58Å; I219-L226 HydrophobicContact CD1-CD2 4.2Å; I219-L226 HydrophobicContact CG1-CD2 4.35Å; I219-L226 HydrophobicContact CG2-CD2 4.24Å; I219-L314 HydrophobicContact CD1-CD1 3.95Å; I219-L314 HydrophobicContact CG1-CD1 4.11Å
220I93.2Very high96Very high12 Ų1215 Ų156%0.0629%0.086CC..  trans-61.7121.1176.9-58.8179.3000108.5G208 L211 G212 H222 T223G208-I220 WeakPolarHBondContact O-CD1 3.42Å; L211-I220 HydrophobicContact CB-CD1 4.31Å; L211-I220 HydrophobicContact CD2-CD1 3.9Å; L211-I220 HydrophobicContact CG-CD1 4.05Å; G212-I220 VanDerWaalsContact CA-CG1 3.48Å; I220-H222 WeakPolarHBondContact CG2-CE1 3.45Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.25Å; I220-H222 PolarHBondContact O-N 3.25Å; I220-T223 HydrophobicContact CB-CG2 4.37Å; I220-T223 VanDerWaalsContact O-CG2 3.29Å; I220-T223 WeakPolarHBondContact O-CG2 3.46Å; I220-T223 PolarHBondContact O-N 2.92Å
221P91.8Very high96Very high19 Ų1916.2 Ų16.212%0.12310%0.095CC..THydrogen-bonded Turntrans-57.3-23.2-168.5-29.134000115.8S174 Y175 P179 K180 E216 I219S174-P221 WeakPolarHBondContact O-CB 3.17Å; Y175-P221 HydrophobicContact CD1-CG 3.59Å; Y175-P221 HydrophobicContact CE1-CG 3.58Å; P179-P221 CarbonylContact C-O 3.57Å; P179-P221 VanDerWaalsContact CA-O 3.3Å; P179-P221 WeakPolarHBondContact CA-O 3.26Å; P179-P221 HydrophobicContact CB-CB 4.18Å; K180-P221 PolarHBondContact N-O 2.99Å; E216-P221 WeakPolarHBondContact OE2-CD 3.3Å; I219-P221 WeakPolarHBondContact O-CD 3.25Å
222H89Confident96Very high55 Ų5517.5 Ų17.526%0.25510%0.102SC..THydrogen-bonded Turntrans-106.63.1-176.656.1-101000114.5K180 I220 H342K180-H222 WeakPolarHBondContact CD-O 3.37Å; K180-H222 WeakPolarHBondContact CE-O 3.47Å; K180-H222 PolarHBondContact NZ-O 2.9Å; I220-H222 WeakPolarHBondContact CG2-CE1 3.45Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.25Å; I220-H222 PolarHBondContact O-N 3.25Å; H222-H342 HydrophobicContact CB-CB 4.18Å; H222-H342 AromaticContact CD2-CD2 3.56Å; H222-H342 AromaticContact CD2-CG 3.99Å; H222-H342 AromaticContact CG-CD2 3.88Å; H222-H342 PolarHBondContact O-CD2 3.32Å
223T92Very high96.1Very high22 Ų2222 Ų2214%0.13513%0.133CC..  trans-72154.1171.5-161.90000110.8K180 L181 I219 I220 D225K180-T223 WeakPolarHBondContact CB-O 3Å; L181-T223 HydrophobicContact CD1-CG2 4.08Å; I219-T223 HydrophobicContact CG2-CG2 3.58Å; I220-T223 HydrophobicContact CB-CG2 4.37Å; I220-T223 VanDerWaalsContact O-CG2 3.29Å; I220-T223 WeakPolarHBondContact O-CG2 3.46Å; I220-T223 PolarHBondContact O-N 2.92Å; T223-D225 WeakPolarHBondContact CG2-O 3.35Å; T223-D225 PolarHBondContact OG1-O 3.43Å; T223-D225 PolarHBondContact OG1-OD1 2.9Å; T223-D225 VanDerWaalsContact OG1-OD1 3.08Å
224S93.7Very high96.1Very high62 Ų6224.6 Ų24.643%0.43415%0.147SC..  trans-116.5-1.2-178.845.50000113.6
225D96.4Very high96.1Very high26 Ų2625.6 Ų25.614%0.13915%0.15CC..EExtended strand (participates in β ladder)trans-149.6163.5-170.746.9-9.8000109.9T223 R272T223-D225 WeakPolarHBondContact CG2-O 3.35Å; T223-D225 PolarHBondContact OG1-O 3.43Å; T223-D225 PolarHBondContact OG1-OD1 2.9Å; T223-D225 VanDerWaalsContact OG1-OD1 3.08Å; D225-R272 WeakPolarHBondContact CA-O 3.46Å; D225-R272 HydrophobicContact CB-CB 4.26Å; D225-R272 HydrophobicContact CB-CG 4.44Å; D225-R272 IonicContact OD2-CZ 2.66Å; D225-R272 IonicContact OD2-NE 3.29Å; D225-R272 IonicContact OD2-NH2 2.59Å; D225-R272 PolarHBondContact OD2-NH2 3.42Å
226L98.5Very high96.2Very high1 Ų128.8 Ų28.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-118.5153.6173.2-57.1172.9000109.2L181 V185 L189 T209 I219 T271 R272 I273 D274L181-L226 HydrophobicContact CD1-CD2 3.94Å; L181-L226 HydrophobicContact CD1-CG 4.1Å; V185-L226 HydrophobicContact CB-CD1 4.35Å; V185-L226 HydrophobicContact CG2-CD1 3.9Å; L189-L226 HydrophobicContact CB-CD1 3.97Å; L189-L226 HydrophobicContact CD1-CB 4.15Å; L189-L226 HydrophobicContact CD1-CD1 4.2Å; L189-L226 HydrophobicContact CD2-CD1 4.18Å; L189-L226 HydrophobicContact CG-CD1 4.34Å; T209-L226 HydrophobicContact CG2-CD2 4.37Å; T209-L226 VanDerWaalsContact OG1-CA 3.26Å; T209-L226 WeakPolarHBondContact OG1-CA 3.47Å; I219-L226 HydrophobicContact CD1-CD2 4.2Å; I219-L226 HydrophobicContact CG1-CD2 4.35Å; I219-L226 HydrophobicContact CG2-CD2 4.24Å; L226-T271 HydrophobicContact CD1-CG2 3.71Å; L226-T271 HydrophobicContact CG-CG2 4.3Å; L226-R272 PolarHBondContact N-O 3.08Å; L226-I273 HydrophobicContact CB-CG1 4.34Å; L226-I273 HydrophobicContact CB-CG2 4.39Å; L226-I273 CarbonylContact O-C 3.53Å; L226-I273 VanDerWaalsContact O-CA 3.27Å; L226-I273 WeakPolarHBondContact O-CA 3.35Å; L226-D274 PolarHBondContact O-N 2.95Å
227D98.6Very high96.2Very high17 Ų1733.8 Ų33.89%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-129.3125.1-170.8-57.3-74.6000108.8F206 G208 T209 D274 F276F206-D227 PolarHBondContact N-O 3.17Å; F206-D227 VanDerWaalsContact O-CB 3.27Å; F206-D227 WeakPolarHBondContact O-CB 3.47Å; G208-D227 PolarHBondContact N-OD2 2.93Å; T209-D227 WeakPolarHBondContact CB-O 3.27Å; T209-D227 PolarHBondContact N-OD2 3.01Å; T209-D227 PolarHBondContact OG1-N 3.39Å; D227-D274 WeakPolarHBondContact CA-O 3.19Å; D227-F276 HydrophobicContact CB-CE2 4.29Å
228M98.8Very high96.1Very high0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-123.4160.4166.9-68.7-166-58.800109.9L189 F192 L196 P203 Y204 I273 D274 L275 F276L189-M228 HydrophobicContact CD1-CE 4.01Å; L189-M228 HydrophobicContact CD1-CG 3.76Å; L189-M228 HydrophobicContact CD1-SD 3.66Å; L189-M228 HydrophobicContact CG-SD 4.23Å; F192-M228 HydrophobicContact CB-CE 4.21Å; F192-M228 HydrophobicContact CD1-CE 3.09Å; F192-M228 HydrophobicContact CE1-CE 3.48Å; F192-M228 VanDerWaalsContact CE1-CE 3.48Å; F192-M228 HydrophobicContact CG-CE 3.78Å; F192-M228 HydrophobicContact CZ-CE 4.45Å; L196-M228 HydrophobicContact CD1-CE 3.93Å; P203-M228 HydrophobicContact CB-CB 4.49Å; P203-M228 HydrophobicContact CB-CE 4.28Å; P203-M228 HydrophobicContact CB-SD 3.89Å; P203-M228 HydrophobicContact CG-SD 4.33Å; Y204-M228 CarbonylContact O-C 3.57Å; Y204-M228 VanDerWaalsContact O-CA 3.24Å; Y204-M228 WeakPolarHBondContact O-CA 3.41Å; M228-I273 HydrophobicContact CE-CG2 4.14Å; M228-D274 PolarHBondContact N-O 2.82Å; M228-D274 VanDerWaalsContact O-O 3.13Å; M228-L275 HydrophobicContact CB-CD1 4.11Å; M228-L275 WeakPolarHBondContact O-CA 3.18Å; M228-F276 WeakPolarHBondContact O-CD2 3.44Å; M228-F276 PolarHBondContact O-N 3.43Å
229A98.8Very high96.2Very high0 Ų034.8 Ų34.80%020%0.204CC..EExtended strand (participates in β ladder)trans-133157.2169.800000111.1P203 Y204 F206 F276 V278P203-A229 CarbonylContact C-O 3.51Å; P203-A229 VanDerWaalsContact CA-O 3.27Å; P203-A229 WeakPolarHBondContact CA-O 3.17Å; Y204-A229 VanDerWaalsContact CD1-O 3.22Å; Y204-A229 WeakPolarHBondContact CD1-O 3.42Å; Y204-A229 HydrophobicContact CD2-CB 4.06Å; Y204-A229 HydrophobicContact CE1-CB 4.42Å; Y204-A229 WeakPolarHBondContact CE1-O 3.31Å; Y204-A229 HydrophobicContact CE2-CB 3.53Å; Y204-A229 PolarHBondContact N-O 3.27Å; Y204-A229 PolarHBondContact O-N 2.76Å; F206-A229 HydrophobicContact CB-CB 3.64Å; F206-A229 HydrophobicContact CD1-CB 3.89Å; F206-A229 HydrophobicContact CD2-CB 3.89Å; F206-A229 HydrophobicContact CG-CB 3.52Å; A229-F276 CarbonylContact C-O 3.54Å; A229-F276 WeakPolarHBondContact CA-O 3.28Å; A229-F276 HydrophobicContact CB-CB 4.27Å; A229-V278 HydrophobicContact CB-CG2 3.82Å
230A98.6Very high96.2Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-141.2151.7172.100000109.6I201 I232 L275 F276 F277 V278I201-A230 HydrophobicContact CG2-CB 3.68Å; A230-I232 PolarHBondContact O-N 3.01Å; A230-L275 HydrophobicContact CB-CD1 4.2Å; A230-F276 PolarHBondContact N-O 3.27Å; A230-F277 HydrophobicContact CB-CD1 4.4Å; A230-F277 HydrophobicContact CB-CE1 4.26Å; A230-F277 CarbonylContact O-C 3.46Å; A230-F277 WeakPolarHBondContact O-CA 3.43Å; A230-V278 PolarHBondContact O-N 3.21Å
231S97.9Very high96.2Very high25 Ų2540.6 Ų40.618%0.17523%0.231CC..EExtended strand (participates in β ladder)trans-62.9133.5172.1177.80000110.1S233 L234S231-S233 PolarHBondContact O-N 3.07Å; S231-S233 PolarHBondContact OG-N 2.87Å; S231-S233 PolarHBondContact OG-OG 2.88Å; S231-L234 WeakPolarHBondContact O-CB 3.5Å; S231-L234 PolarHBondContact O-N 3.3Å
232I98.2Very high96.5Very high34 Ų3440.8 Ų40.817%0.17423%0.234CC..G310 helixtrans-59.6-27.3174.1-168.165000112.3A230 L234 Y235 P258 L262 F277 V278 Y279A230-I232 PolarHBondContact O-N 3.01Å; I232-L234 PolarHBondContact O-N 3.2Å; I232-L234 VanDerWaalsContact O-N 3.13Å; I232-Y235 HydrophobicContact CD1-CG 4.34Å; I232-Y235 WeakPolarHBondContact O-CB 3.04Å; I232-Y235 PolarHBondContact O-N 2.62Å; I232-P258 WeakPolarHBondContact CD1-O 3.47Å; I232-P258 WeakPolarHBondContact CG1-O 3.27Å; I232-L262 HydrophobicContact CD1-CB 4.37Å; I232-L262 HydrophobicContact CD1-CD2 4.18Å; I232-F277 HydrophobicContact CB-CB 4.16Å; I232-F277 HydrophobicContact CD1-CB 3.63Å; I232-F277 HydrophobicContact CD1-CD1 3.83Å; I232-F277 HydrophobicContact CD1-CG 3.78Å; I232-F277 HydrophobicContact CG1-CB 4.44Å; I232-V278 WeakPolarHBondContact CG2-O 3.26Å; I232-V278 PolarHBondContact N-O 3.01Å; I232-Y279 HydrophobicContact CB-CD1 4.15Å; I232-Y279 HydrophobicContact CB-CE1 4.01Å; I232-Y279 HydrophobicContact CB-CG 4.44Å; I232-Y279 HydrophobicContact CD1-CE1 4.23Å; I232-Y279 HydrophobicContact CG1-CD1 4.2Å; I232-Y279 HydrophobicContact CG1-CE1 3.6Å; I232-Y279 HydrophobicContact CG2-CD1 3.68Å; I232-Y279 HydrophobicContact CG2-CE1 3.98Å; I232-Y279 HydrophobicContact CG2-CG 4.05Å
233S97.3Very high96.8Very high95 Ų9538.2 Ų38.266%0.66422%0.222SC*.G310 helixtrans-62.7-19.5175.270.10000113.3S231S231-S233 PolarHBondContact O-N 3.07Å; S231-S233 PolarHBondContact OG-N 2.87Å; S231-S233 PolarHBondContact OG-OG 2.88Å
234L97.7Very high96.9Very high54 Ų5439 Ų3928%0.28323%0.228SC..G310 helixtrans-92.5-11.3177.2-58.1-179.8000112.5I201 S231 I232 K236I201-L234 WeakPolarHBondContact CG1-O 3.24Å; S231-L234 WeakPolarHBondContact O-CB 3.5Å; S231-L234 PolarHBondContact O-N 3.3Å; I232-L234 PolarHBondContact O-N 3.2Å; I232-L234 VanDerWaalsContact O-N 3.13Å; L234-K236 WeakPolarHBondContact O-CE 3.45Å; L234-K236 PolarHBondContact O-N 3.43Å
235Y98.2Very high96.9Very high41 Ų4142.8 Ų42.816%0.16124%0.237CC..  trans-52.7134.9-179.5173.4-100.4000111.6I232 P237 L239 P258 L262 F277I232-Y235 HydrophobicContact CD1-CG 4.34Å; I232-Y235 WeakPolarHBondContact O-CB 3.04Å; I232-Y235 PolarHBondContact O-N 2.62Å; Y235-P237 HydrophobicContact CE1-CG 4.34Å; Y235-L239 HydrophobicContact CD2-CD2 4.3Å; Y235-L239 HydrophobicContact CE2-CB 4.43Å; Y235-L239 HydrophobicContact CE2-CD2 4.27Å; Y235-P258 HydrophobicContact CD1-CB 3.98Å; Y235-P258 HydrophobicContact CD1-CG 4.18Å; Y235-P258 HydrophobicContact CE1-CB 3.83Å; Y235-P258 HydrophobicContact CE1-CG 3.52Å; Y235-L262 HydrophobicContact CD2-CD2 3.59Å; Y235-L262 HydrophobicContact CE2-CD2 3.51Å; Y235-L262 HydrophobicContact CG-CD2 4.27Å; Y235-F277 AromaticContact CD2-CE1 3.87Å; Y235-F277 HydrophobicContact CD2-CE1 3.87Å; Y235-F277 HydrophobicContact CD2-CE2 4.25Å; Y235-F277 AromaticContact CD2-CZ 3.67Å; Y235-F277 HydrophobicContact CD2-CZ 3.67Å; Y235-F277 HydrophobicContact CE2-CZ 4.47Å; Y235-F277 HydrophobicContact CG-CE1 4.36Å
236K97.4Very high96.9Very high78 Ų7842.5 Ų42.534%0.33924%0.236SC..  trans-113.4127.9175.3-55.9-57.8178.4-172.80108.9I201 L234 S238 L239I201-K236 HydrophobicContact CD1-CB 4.46Å; I201-K236 HydrophobicContact CD1-CG 4.17Å; I201-K236 HydrophobicContact CG1-CG 4.16Å; L234-K236 WeakPolarHBondContact O-CE 3.45Å; L234-K236 PolarHBondContact O-N 3.43Å; K236-S238 PolarHBondContact O-N 3.42Å; K236-S238 VanDerWaalsContact O-N 3.09Å; K236-L239 WeakPolarHBondContact O-CB 3.38Å; K236-L239 PolarHBondContact O-N 2.65Å
237P95Very high96.6Very high108 Ų10851.8 Ų51.870%0.70128%0.276SS*.THydrogen-bonded Turntrans-55.3-27.8173.5-27.835.7000113.5Y235 L239Y235-P237 HydrophobicContact CE1-CG 4.34Å; P237-L239 PolarHBondContact O-N 2.84Å
238S95.9Very high96.4Very high63 Ų6354.5 Ų54.544%0.44129%0.285SS..THydrogen-bonded Turntrans-71.6-1017655.60000114.6K236 I240 H241 A242K236-S238 PolarHBondContact O-N 3.42Å; K236-S238 VanDerWaalsContact O-N 3.09Å; S238-I240 PolarHBondContact O-N 3.07Å; S238-H241 PolarHBondContact O-N 3.47Å; S238-A242 WeakPolarHBondContact O-CB 3.45Å; S238-A242 PolarHBondContact O-N 3.05Å
239L97.5Very high96.3Very high0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-57.8-45.8-175.3175.359.1000112.7F195 L196 L199 I201 Y235 K236 P237 H241 A242 L243 L264 F277F195-L239 HydrophobicContact CE1-CD1 3.83Å; L196-L239 HydrophobicContact CD2-CD1 3.75Å; L199-L239 HydrophobicContact CD1-CD1 3.66Å; I201-L239 HydrophobicContact CD1-CB 4.49Å; I201-L239 HydrophobicContact CD1-CD1 4.12Å; I201-L239 HydrophobicContact CD1-CD2 4.02Å; I201-L239 HydrophobicContact CD1-CG 4.45Å; Y235-L239 HydrophobicContact CD2-CD2 4.3Å; Y235-L239 HydrophobicContact CE2-CB 4.43Å; Y235-L239 HydrophobicContact CE2-CD2 4.27Å; K236-L239 WeakPolarHBondContact O-CB 3.38Å; K236-L239 PolarHBondContact O-N 2.65Å; P237-L239 PolarHBondContact O-N 2.84Å; L239-H241 VanDerWaalsContact C-N 3.32Å; L239-H241 PolarHBondContact O-N 3.09Å; L239-A242 PolarHBondContact O-N 2.87Å; L239-L243 HydrophobicContact CD1-CD1 4.07Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.12Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.14Å; L239-L243 PolarHBondContact O-N 2.76Å; L239-L264 HydrophobicContact CD2-CD1 3.57Å; L239-L264 HydrophobicContact CG-CD1 4.17Å; L239-F277 HydrophobicContact CD2-CE2 4.46Å; L239-F277 HydrophobicContact CD2-CZ 3.79Å
240I95Very high96.2Very high45 Ų4557.5 Ų57.523%0.23130%0.296CS..Hα-helixtrans-62.3-42.3179.7-66.1176.6000110.6S238 L243 S244 L251 F372S238-I240 PolarHBondContact O-N 3.07Å; I240-L243 PolarHBondContact O-N 2.97Å; I240-S244 PolarHBondContact O-N 2.95Å; I240-S244 VanDerWaalsContact O-N 3.08Å; I240-L251 HydrophobicContact CG1-CD2 4.41Å; I240-L251 HydrophobicContact CG2-CD2 3.97Å; I240-F372 HydrophobicContact CG2-CE1 3.92Å; I240-F372 HydrophobicContact CG2-CZ 4.03Å
241H94.8Very high96.1Very high108 Ų10857.5 Ų57.550%0.530%0.296SS..Hα-helixtrans-70.7-32.3177.5-17663.8000113.2S238 L239 S244 K245S238-H241 PolarHBondContact O-N 3.47Å; L239-H241 VanDerWaalsContact C-N 3.32Å; L239-H241 PolarHBondContact O-N 3.09Å; H241-S244 PolarHBondContact O-OG 3.46Å; H241-K245 WeakPolarHBondContact CE1-CE 3.01Å; H241-K245 VanDerWaalsContact NE2-CE 3.25Å; H241-K245 WeakPolarHBondContact NE2-CE 3.41Å; H241-K245 PolarHBondContact NE2-NZ 3.07Å; H241-K245 VanDerWaalsContact NE2-NZ 3.12Å; H241-K245 WeakPolarHBondContact O-CG 3.36Å
242A97Very high96Very high23 Ų2358.4 Ų58.419%0.1930%0.297CS..Hα-helixtrans-68.3-44.2173.900000110.5F195 L199 S238 L239 S244 K245 D246F195-A242 HydrophobicContact CE2-CB 4.29Å; F195-A242 HydrophobicContact CZ-CB 3.7Å; L199-A242 HydrophobicContact CD1-CB 3.89Å; L199-A242 HydrophobicContact CD2-CB 4.3Å; S238-A242 WeakPolarHBondContact O-CB 3.45Å; S238-A242 PolarHBondContact O-N 3.05Å; L239-A242 PolarHBondContact O-N 2.87Å; A242-S244 VanDerWaalsContact C-N 3.28Å; A242-S244 PolarHBondContact O-N 3.22Å; A242-K245 PolarHBondContact O-N 3.27Å; A242-D246 PolarHBondContact O-N 2.89Å
243L96.3Very high95.8Very high1 Ų159.5 Ų59.51%0.00530%0.299CS..Hα-helixtrans-60.8-37.1176.6-77.4168000111.9F192 F195 L239 I240 K245 D246 L249 L251 L264 V266F192-L243 HydrophobicContact CE2-CD2 4.1Å; F195-L243 HydrophobicContact CD1-CD2 4.27Å; F195-L243 HydrophobicContact CE1-CD2 3.59Å; F195-L243 HydrophobicContact CE1-CG 3.86Å; F195-L243 HydrophobicContact CZ-CD2 3.84Å; F195-L243 HydrophobicContact CZ-CG 3.93Å; L239-L243 HydrophobicContact CD1-CD1 4.07Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.12Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.14Å; L239-L243 PolarHBondContact O-N 2.76Å; I240-L243 PolarHBondContact O-N 2.97Å; L243-K245 PolarHBondContact O-N 2.92Å; L243-D246 PolarHBondContact O-N 2.91Å; L243-L249 HydrophobicContact CD2-CB 4.14Å; L243-L249 HydrophobicContact CD2-CD1 3.92Å; L243-L251 HydrophobicContact CB-CB 4.44Å; L243-L251 HydrophobicContact CD1-CD1 4.2Å; L243-L264 HydrophobicContact CD1-CD1 4.32Å; L243-V266 HydrophobicContact CD1-CG2 4.07Å; L243-V266 HydrophobicContact CD2-CG1 4.25Å; L243-V266 HydrophobicContact CD2-CG2 4.08Å
244S93.2Very high95.8Very high37 Ų3755.2 Ų55.226%0.25927%0.27SS..Hα-helixtrans-71.4-16.5179.670.60000114.9I240 H241 A242I240-S244 PolarHBondContact O-N 2.95Å; I240-S244 VanDerWaalsContact O-N 3.08Å; H241-S244 PolarHBondContact O-OG 3.46Å; A242-S244 VanDerWaalsContact C-N 3.28Å; A242-S244 PolarHBondContact O-N 3.22Å
245K94.4Very high95.8Very high142 Ų14252.8 Ų52.862%0.61726%0.257SS*.Hα-helixtrans-95.5-14.4177.3-71.3179.5171.8-176.90113.2H241 A242 L243H241-K245 WeakPolarHBondContact CE1-CE 3.01Å; H241-K245 VanDerWaalsContact NE2-CE 3.25Å; H241-K245 WeakPolarHBondContact NE2-CE 3.41Å; H241-K245 PolarHBondContact NE2-NZ 3.07Å; H241-K245 VanDerWaalsContact NE2-NZ 3.12Å; H241-K245 WeakPolarHBondContact O-CG 3.36Å; A242-K245 PolarHBondContact O-N 3.27Å; L243-K245 PolarHBondContact O-N 2.92Å
246D95.4Very high95.7Very high21 Ų2151.1 Ų51.111%0.11225%0.252CS..  trans-69.1149.3178.7-161.8-81.7000110.5Y191 F195 A242 L243 R248 L249 H376Y191-D246 PolarHBondContact OH-OD2 2.95Å; F195-D246 HydrophobicContact CE2-CB 4.28Å; A242-D246 PolarHBondContact O-N 2.89Å; L243-D246 PolarHBondContact O-N 2.91Å; D246-R248 WeakPolarHBondContact OD1-CA 3.43Å; D246-R248 PolarHBondContact OD1-N 3.43Å; D246-L249 HydrophobicContact CB-CB 3.96Å; D246-L249 HydrophobicContact CB-CG 4.44Å; D246-L249 PolarHBondContact OD1-N 3.39Å; D246-H376 PolarHBondContact O-CE1 3.4Å
247K92.3Very high95.6Very high195 Ų19550.5 Ų50.585%0.84825%0.25SC*.SBendtrans-97-19.2-178-65.2-176.8-177.9178.30113
248R95.2Very high95.7Very high74 Ų7448.1 Ų48.128%0.27923%0.234SC..SBendtrans-107.4-28.3-177.3-176175.9177.1-174.30.8111.7D187 D188 Y191 D246 N269D187-R248 PolarHBondContact O-NH2 2.94Å; D188-R248 IonicContact OD1-CZ 2.73Å; D188-R248 IonicContact OD1-NE 3.81Å; D188-R248 PolarHBondContact OD1-NE 2.97Å; D188-R248 IonicContact OD1-NH2 2.67Å; D188-R248 PolarHBondContact OD1-NH2 2.97Å; Y191-R248 HydrophobicContact CD1-CB 4.43Å; Y191-R248 HydrophobicContact CD1-CG 4.37Å; Y191-R248 HydrophobicContact CE1-CB 3.87Å; Y191-R248 HydrophobicContact CE1-CG 4.3Å; D246-R248 WeakPolarHBondContact OD1-CA 3.43Å; D246-R248 PolarHBondContact OD1-N 3.43Å; R248-N269 PolarHBondContact O-N 3.17Å
249L96.7Very high95.6Very high1 Ų151 Ų511%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-96.4134.7178.9-56.5177.8000111.1Y191 F192 F195 L243 D246 V266 Y267 A268Y191-L249 HydrophobicContact CD1-CD1 4.29Å; Y191-L249 HydrophobicContact CD1-CD2 4Å; Y191-L249 HydrophobicContact CD1-CG 4.06Å; Y191-L249 HydrophobicContact CE1-CD1 4.17Å; Y191-L249 HydrophobicContact CE1-CD2 4.36Å; Y191-L249 HydrophobicContact CE1-CG 3.92Å; F192-L249 HydrophobicContact CB-CD2 4.21Å; F192-L249 HydrophobicContact CD2-CD1 3.76Å; F192-L249 HydrophobicContact CD2-CD2 4.43Å; F192-L249 HydrophobicContact CE2-CD1 4.44Å; F192-L249 HydrophobicContact CG-CD2 4.49Å; F195-L249 HydrophobicContact CB-CD1 3.94Å; F195-L249 HydrophobicContact CD1-CD1 3.89Å; F195-L249 HydrophobicContact CD2-CD1 3.86Å; F195-L249 HydrophobicContact CE1-CD1 4.39Å; F195-L249 HydrophobicContact CE2-CD1 4.35Å; F195-L249 HydrophobicContact CG-CD1 3.61Å; L243-L249 HydrophobicContact CD2-CB 4.14Å; L243-L249 HydrophobicContact CD2-CD1 3.92Å; D246-L249 HydrophobicContact CB-CB 3.96Å; D246-L249 HydrophobicContact CB-CG 4.44Å; D246-L249 PolarHBondContact OD1-N 3.39Å; L249-V266 HydrophobicContact CB-CG1 3.86Å; L249-V266 HydrophobicContact CD2-CG1 3.99Å; L249-V266 HydrophobicContact CG-CG1 4.4Å; L249-Y267 CarbonylContact C-O 3.44Å; L249-Y267 WeakPolarHBondContact CA-O 3.5Å; L249-A268 HydrophobicContact CD2-CB 3.64Å
250R95.4Very high95.6Very high63 Ų6352.1 Ų52.124%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-126114.5172.7-179.7177.462.480.30.3109.5H252 V266 Y267R250-H252 PolarHBondContact O-N 3.35Å; R250-V266 CarbonylContact O-C 3.54Å; R250-V266 WeakPolarHBondContact O-CA 3.43Å; R250-Y267 PolarHBondContact N-O 3.08Å; R250-Y267 PolarHBondContact O-N 3.32Å
251L96.7Very high95.6Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-62.3124.4168.9-176.360.4000108.9I240 L243 W253 L264 V266 F372I240-L251 HydrophobicContact CG1-CD2 4.41Å; I240-L251 HydrophobicContact CG2-CD2 3.97Å; L243-L251 HydrophobicContact CB-CB 4.44Å; L243-L251 HydrophobicContact CD1-CD1 4.2Å; L251-W253 WeakPolarHBondContact CD1-O 3.49Å; L251-L264 HydrophobicContact CD1-CB 4.17Å; L251-L264 HydrophobicContact CD1-CD2 4.35Å; L251-V266 HydrophobicContact CD1-CG2 4.15Å; L251-F372 HydrophobicContact CB-CB 4.44Å; L251-F372 HydrophobicContact CB-CG 4.42Å; L251-F372 HydrophobicContact CD2-CD1 3.95Å; L251-F372 HydrophobicContact CD2-CD2 3.53Å; L251-F372 HydrophobicContact CD2-CE1 3.89Å; L251-F372 HydrophobicContact CD2-CE2 3.48Å; L251-F372 VanDerWaalsContact CD2-CE2 3.48Å; L251-F372 HydrophobicContact CD2-CG 3.78Å; L251-F372 HydrophobicContact CD2-CZ 3.67Å; L251-F372 HydrophobicContact CG-CB 4.33Å; L251-F372 HydrophobicContact CG-CD2 3.62Å; L251-F372 HydrophobicContact CG-CE2 4.03Å; L251-F372 HydrophobicContact CG-CG 3.91Å; L251-F372 VanDerWaalsContact O-CB 3.3Å; L251-F372 WeakPolarHBondContact O-CB 3.16Å
252H95.4Very high95.8Very high43 Ų4345.1 Ų45.120%0.19922%0.217CC..EExtended strand (participates in β ladder)trans-90.2-52.2177.5-179.944.4000111.2R250 T265 Y267 F372R250-H252 PolarHBondContact O-N 3.35Å; H252-T265 HydrophobicContact CB-CG2 4.07Å; H252-T265 WeakPolarHBondContact CB-O 3.43Å; H252-T265 PolarHBondContact N-O 3.09Å; H252-Y267 HydrophobicContact CB-CD2 3.88Å; H252-Y267 HydrophobicContact CB-CE2 3.84Å; H252-Y267 AromaticContact CG-CE2 3.81Å; H252-F372 PolarHBondContact O-N 3.46Å
253W95.8Very high95.8Very high57 Ų5745 Ų4522%0.21621%0.212CC..EExtended strand (participates in β ladder)trans-151.1160.4175.255.941.6000111L251 L255 T265 Q370L251-W253 WeakPolarHBondContact CD1-O 3.49Å; W253-L255 HydrophobicContact CB-CD2 4.33Å; W253-L255 HydrophobicContact CD2-CD2 4.29Å; W253-L255 HydrophobicContact CG-CD2 3.98Å; W253-L255 HydrophobicContact CG-CG 4.25Å; W253-T265 VanDerWaalsContact CD1-CB 3.45Å; W253-T265 PolarHBondContact NE1-OG1 2.88Å; W253-T265 PolarHBondContact O-N 2.92Å; W253-T265 VanDerWaalsContact O-N 3.16Å; W253-Q370 CarbonylContact C-O 3.35Å; W253-Q370 WeakPolarHBondContact CA-O 3.24Å; W253-Q370 VanDerWaalsContact CB-O 3.26Å; W253-Q370 WeakPolarHBondContact CB-O 3.26Å
254A96.5Very high95.9Very high5 Ų544.9 Ų44.94%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-118.8126.7162.300000108.2L264 Q370 F372A254-L264 HydrophobicContact CB-CD2 3.4Å; A254-Q370 HydrophobicContact CB-CB 4.43Å; A254-Q370 PolarHBondContact N-O 3.25Å; A254-Q370 PolarHBondContact O-N 2.96Å; A254-F372 HydrophobicContact CB-CE2 3.8Å; A254-F372 HydrophobicContact CB-CZ 4.47Å
255L96.8Very high96.1Very high4 Ų443.1 Ų43.12%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-110.9143.3178.7-50.1-176.4000108.6W253 L262 E263 M290 V368 F369W253-L255 HydrophobicContact CB-CD2 4.33Å; W253-L255 HydrophobicContact CD2-CD2 4.29Å; W253-L255 HydrophobicContact CG-CD2 3.98Å; W253-L255 HydrophobicContact CG-CG 4.25Å; L255-L262 CarbonylContact O-C 3.59Å; L255-L262 VanDerWaalsContact O-CA 3.3Å; L255-L262 WeakPolarHBondContact O-CA 3.16Å; L255-E263 HydrophobicContact CB-CB 4.24Å; L255-E263 PolarHBondContact N-O 3.06Å; L255-E263 PolarHBondContact O-N 3.17Å; L255-M290 HydrophobicContact CB-CE 3.8Å; L255-M290 HydrophobicContact CB-CG 4.29Å; L255-M290 HydrophobicContact CB-SD 4Å; L255-M290 HydrophobicContact CD1-CG 4.05Å; L255-M290 HydrophobicContact CD2-SD 4.02Å; L255-M290 HydrophobicContact CG-SD 4.42Å; L255-V368 CarbonylContact C-O 3.54Å; L255-V368 VanDerWaalsContact CA-O 3.24Å; L255-V368 WeakPolarHBondContact CA-O 3.12Å; L255-F369 HydrophobicContact CD2-CD2 3.41Å; L255-F369 VanDerWaalsContact CD2-CD2 3.41Å; L255-F369 HydrophobicContact CD2-CE2 3.57Å
256G96.7Very high96.3Very high5 Ų536.4 Ų36.45%0.05217%0.17CC..EExtended strand (participates in β ladder)trans72-155.3-177.700000113.1S261 V368G256-S261 WeakPolarHBondContact CA-O 3.2Å; G256-V368 PolarHBondContact N-O 2.86Å; G256-V368 WeakPolarHBondContact O-CA 3.49Å
257K95.9Very high96.4Very high66 Ų6637.9 Ų37.929%0.28718%0.175SC..EExtended strand (participates in β ladder)trans-149.8158.3-179.151.3-178.3179.2-156.30109.8N259 D260 Y279 E364 V368K257-N259 WeakPolarHBondContact CD-OD1 3.2Å; K257-N259 VanDerWaalsContact CE-OD1 3.32Å; K257-N259 WeakPolarHBondContact CE-OD1 3.46Å; K257-N259 WeakPolarHBondContact CG-OD1 3.43Å; K257-N259 PolarHBondContact O-N 2.61Å; K257-D260 HydrophobicContact CG-CB 4Å; K257-D260 PolarHBondContact N-O 3.46Å; K257-D260 CarbonylContact O-C 3.51Å; K257-D260 PolarHBondContact O-N 2.77Å; K257-Y279 PolarHBondContact O-OH 3.19Å; K257-E364 IonicContact NZ-OE1 2.66Å; K257-E364 PolarHBondContact NZ-OE1 2.82Å; K257-V368 HydrophobicContact CD-CG1 4.3Å; K257-V368 HydrophobicContact CG-CG1 4.34Å
258P96Very high96.6Very high57 Ų5728.6 Ų28.637%0.3713%0.134SC..THydrogen-bonded Turntrans-53.3-36.3-173.7-30.336.3000114.9I232 Y235 D260 L262 Y279I232-P258 WeakPolarHBondContact CD1-O 3.47Å; I232-P258 WeakPolarHBondContact CG1-O 3.27Å; Y235-P258 HydrophobicContact CD1-CB 3.98Å; Y235-P258 HydrophobicContact CD1-CG 4.18Å; Y235-P258 HydrophobicContact CE1-CB 3.83Å; Y235-P258 HydrophobicContact CE1-CG 3.52Å; P258-D260 VanDerWaalsContact C-N 3.33Å; P258-L262 HydrophobicContact CG-CD2 4.38Å; P258-Y279 VanDerWaalsContact O-CE1 3.27Å; P258-Y279 WeakPolarHBondContact O-CE1 3.4Å; P258-Y279 PolarHBondContact O-OH 3.1Å
259N95.7Very high96.3Very high123 Ų12329.9 Ų29.966%0.65815%0.147SC*.THydrogen-bonded Turntrans-84.1-4.3177.663.9-5.8000114.4K257K257-N259 WeakPolarHBondContact CD-OD1 3.2Å; K257-N259 VanDerWaalsContact CE-OD1 3.32Å; K257-N259 WeakPolarHBondContact CE-OD1 3.46Å; K257-N259 WeakPolarHBondContact CG-OD1 3.43Å; K257-N259 PolarHBondContact O-N 2.61Å
260D96.2Very high96Very high25 Ų2535.4 Ų35.413%0.13419%0.186CC..EExtended strand (participates in β ladder)trans-161.8111.2-177.1-177.321.3000112.8K257 P258 L262 Y279 K297 R299K257-D260 HydrophobicContact CG-CB 4Å; K257-D260 PolarHBondContact N-O 3.46Å; K257-D260 CarbonylContact O-C 3.51Å; K257-D260 PolarHBondContact O-N 2.77Å; P258-D260 VanDerWaalsContact C-N 3.33Å; D260-L262 PolarHBondContact O-N 2.81Å; D260-Y279 PolarHBondContact N-OH 3.23Å; D260-K297 WeakPolarHBondContact OD1-CE 3.27Å; D260-K297 IonicContact OD1-NZ 3.15Å; D260-K297 PolarHBondContact OD1-NZ 3.37Å; D260-K297 IonicContact OD2-NZ 3.62Å; D260-K297 PolarHBondContact OD2-NZ 3.01Å; D260-R299 IonicContact OD1-NH2 2.69Å
261S95.9Very high96Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans63.833.7165.4-53.90000115.2G256 E263 Y279 K297G256-S261 WeakPolarHBondContact CA-O 3.2Å; S261-E263 PolarHBondContact O-N 3.06Å; S261-Y279 PolarHBondContact N-OH 2.86Å; S261-K297 WeakPolarHBondContact OG-CE 3.32Å
262L98.1Very high96.1Very high6 Ų636 Ų363%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-66.1128.3177.7-173.964.5000111.8I232 Y235 L255 P258 D260 L264 F277 Y279I232-L262 HydrophobicContact CD1-CB 4.37Å; I232-L262 HydrophobicContact CD1-CD2 4.18Å; Y235-L262 HydrophobicContact CD2-CD2 3.59Å; Y235-L262 HydrophobicContact CE2-CD2 3.51Å; Y235-L262 HydrophobicContact CG-CD2 4.27Å; L255-L262 CarbonylContact O-C 3.59Å; L255-L262 VanDerWaalsContact O-CA 3.3Å; L255-L262 WeakPolarHBondContact O-CA 3.16Å; P258-L262 HydrophobicContact CG-CD2 4.38Å; D260-L262 PolarHBondContact O-N 2.81Å; L262-L264 HydrophobicContact CD1-CD2 4.1Å; L262-F277 HydrophobicContact CB-CB 4.24Å; L262-F277 HydrophobicContact CB-CD2 3.93Å; L262-F277 HydrophobicContact CB-CG 4.34Å; L262-F277 HydrophobicContact CD2-CD2 3.51Å; L262-F277 HydrophobicContact CD2-CE2 3.61Å; L262-F277 HydrophobicContact CD2-CG 4.1Å; L262-F277 HydrophobicContact CD2-CZ 4.28Å; L262-F277 HydrophobicContact CG-CD2 3.55Å; L262-F277 HydrophobicContact CG-CE2 3.94Å; L262-F277 HydrophobicContact CG-CG 4.35Å; L262-F277 WeakPolarHBondContact O-CB 3.29Å; L262-F277 PolarHBondContact O-N 3.05Å; L262-F277 VanDerWaalsContact O-N 3.07Å; L262-Y279 WeakPolarHBondContact CB-OH 3.22Å; L262-Y279 PolarHBondContact N-OH 3.37Å
263E97.9Very high96.2Very high19 Ų1934 Ų349%0.08918%0.179CC..EExtended strand (participates in β ladder)trans-140.7136.6172.6177.1-164.614100108.4L255 S261 L275 F276L255-E263 HydrophobicContact CB-CB 4.24Å; L255-E263 PolarHBondContact N-O 3.06Å; L255-E263 PolarHBondContact O-N 3.17Å; S261-E263 PolarHBondContact O-N 3.06Å; E263-L275 WeakPolarHBondContact CA-O 3.18Å; E263-F276 HydrophobicContact CB-CD1 4.38Å; E263-F276 VanDerWaalsContact CD-CE1 3.48Å; E263-F276 HydrophobicContact CG-CD1 3.83Å; E263-F276 HydrophobicContact CG-CE1 3.82Å; E263-F276 WeakPolarHBondContact OE2-CE1 3.35Å
264L98Very high96.3Very high0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans-121.3132176.6-56-179.7000109.3L239 L243 L251 A254 L262 L275 F277L239-L264 HydrophobicContact CD2-CD1 3.57Å; L239-L264 HydrophobicContact CG-CD1 4.17Å; L243-L264 HydrophobicContact CD1-CD1 4.32Å; L251-L264 HydrophobicContact CD1-CB 4.17Å; L251-L264 HydrophobicContact CD1-CD2 4.35Å; A254-L264 HydrophobicContact CB-CD2 3.4Å; L262-L264 HydrophobicContact CD1-CD2 4.1Å; L264-L275 HydrophobicContact CB-CB 4.41Å; L264-L275 HydrophobicContact CD1-CD2 4.49Å; L264-L275 PolarHBondContact N-O 3.1Å; L264-L275 PolarHBondContact O-N 3.13Å; L264-F277 HydrophobicContact CD1-CE2 4.04Å; L264-F277 HydrophobicContact CG-CE2 4.12Å
265T97.8Very high96.4Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-106.1126.2169.2-63.70000109.2H252 W253 R272 I273 D274H252-T265 HydrophobicContact CB-CG2 4.07Å; H252-T265 WeakPolarHBondContact CB-O 3.43Å; H252-T265 PolarHBondContact N-O 3.09Å; W253-T265 VanDerWaalsContact CD1-CB 3.45Å; W253-T265 PolarHBondContact NE1-OG1 2.88Å; W253-T265 PolarHBondContact O-N 2.92Å; W253-T265 VanDerWaalsContact O-N 3.16Å; T265-R272 HydrophobicContact CG2-CG 3.51Å; T265-I273 WeakPolarHBondContact CA-O 3.38Å; T265-D274 VanDerWaalsContact CB-OD1 3.27Å; T265-D274 WeakPolarHBondContact CB-OD1 3.45Å; T265-D274 WeakPolarHBondContact CG2-OD1 3.4Å; T265-D274 PolarHBondContact OG1-OD1 3.42Å
266V97.9Very high96.5Very high0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-120.7139.9-179.4-1790000108.9F192 L243 L249 R250 L251 I273F192-V266 HydrophobicContact CE1-CB 4.3Å; F192-V266 HydrophobicContact CE1-CG2 4.3Å; F192-V266 HydrophobicContact CE2-CG2 4.24Å; F192-V266 HydrophobicContact CZ-CB 4.23Å; F192-V266 HydrophobicContact CZ-CG2 3.8Å; L243-V266 HydrophobicContact CD1-CG2 4.07Å; L243-V266 HydrophobicContact CD2-CG1 4.25Å; L243-V266 HydrophobicContact CD2-CG2 4.08Å; L249-V266 HydrophobicContact CB-CG1 3.86Å; L249-V266 HydrophobicContact CD2-CG1 3.99Å; L249-V266 HydrophobicContact CG-CG1 4.4Å; R250-V266 CarbonylContact O-C 3.54Å; R250-V266 WeakPolarHBondContact O-CA 3.43Å; L251-V266 HydrophobicContact CD1-CG2 4.15Å; V266-I273 PolarHBondContact N-O 2.79Å; V266-I273 PolarHBondContact O-N 3.47Å
267Y97.2Very high96.6Very high52 Ų5232.6 Ų32.620%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-96.5124.6164.7-78.2-91.1000109.5L249 R250 H252 T271 R272L249-Y267 CarbonylContact C-O 3.44Å; L249-Y267 WeakPolarHBondContact CA-O 3.5Å; R250-Y267 PolarHBondContact N-O 3.08Å; R250-Y267 PolarHBondContact O-N 3.32Å; H252-Y267 HydrophobicContact CB-CD2 3.88Å; H252-Y267 HydrophobicContact CB-CE2 3.84Å; H252-Y267 AromaticContact CG-CE2 3.81Å; Y267-T271 VanDerWaalsContact CA-O 3.32Å; Y267-T271 WeakPolarHBondContact CA-O 3.43Å; Y267-R272 HydrophobicContact CD1-CB 4.3Å; Y267-R272 HydrophobicContact CE1-CB 3.77Å; Y267-R272 HydrophobicContact CE1-CG 4.3Å; Y267-R272 HydrophobicContact CE2-CG 4.37Å
268A96.1Very high96.7Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-103108.2162.700000106.6D188 L249 S270 T271 I273D188-A268 HydrophobicContact CB-CB 3.66Å; L249-A268 HydrophobicContact CD2-CB 3.64Å; A268-S270 PolarHBondContact O-N 2.66Å; A268-S270 VanDerWaalsContact O-N 3.16Å; A268-T271 PolarHBondContact N-O 2.91Å; A268-T271 WeakPolarHBondContact O-CB 3.41Å; A268-T271 PolarHBondContact O-N 3.25Å; A268-I273 HydrophobicContact CB-CD1 4.01Å
269N90.2Very high96.9Very high102 Ų10227.6 Ų27.655%0.54515%0.145SC..THydrogen-bonded Turntrans52.7-117.6-163.5-60.6-46.5000111.5D188 R248D188-N269 PolarHBondContact OD1-ND2 3.32Å; R248-N269 PolarHBondContact O-N 3.17Å
270S89.2Confident96.9Very high116 Ų11625.6 Ų25.681%0.81113%0.134SC*.THydrogen-bonded Turntrans-96.4-4.7176.1-57.90000113.4A268 R272A268-S270 PolarHBondContact O-N 2.66Å; A268-S270 VanDerWaalsContact O-N 3.16Å; S270-R272 PolarHBondContact O-N 2.96Å
271T96.1Very high96.6Very high6 Ų629.9 Ų29.94%0.03716%0.157CC..EExtended strand (participates in β ladder)trans-80.8117.3-178.3-55.90000109.8V185 D188 L226 Y267 A268 I273V185-T271 HydrophobicContact CB-CG2 3.93Å; V185-T271 HydrophobicContact CG1-CG2 4.29Å; V185-T271 WeakPolarHBondContact CG1-OG1 3.45Å; D188-T271 HydrophobicContact CB-CG2 4.35Å; D188-T271 WeakPolarHBondContact OD2-CB 3.24Å; D188-T271 PolarHBondContact OD2-OG1 2.74Å; L226-T271 HydrophobicContact CD1-CG2 3.71Å; L226-T271 HydrophobicContact CG-CG2 4.3Å; Y267-T271 VanDerWaalsContact CA-O 3.32Å; Y267-T271 WeakPolarHBondContact CA-O 3.43Å; A268-T271 PolarHBondContact N-O 2.91Å; A268-T271 WeakPolarHBondContact O-CB 3.41Å; A268-T271 PolarHBondContact O-N 3.25Å; T271-I273 HydrophobicContact CG2-CD1 4.47Å; T271-I273 HydrophobicContact CG2-CG1 4.02Å
272R97.9Very high96.5Very high71 Ų7132.3 Ų32.327%0.26818%0.182SC..EExtended strand (participates in β ladder)trans-81127172.4-171.6174.977.2-170.50.1109.6D225 L226 T265 Y267 S270 D274D225-R272 WeakPolarHBondContact CA-O 3.46Å; D225-R272 HydrophobicContact CB-CB 4.26Å; D225-R272 HydrophobicContact CB-CG 4.44Å; D225-R272 IonicContact OD2-CZ 2.66Å; D225-R272 IonicContact OD2-NE 3.29Å; D225-R272 IonicContact OD2-NH2 2.59Å; D225-R272 PolarHBondContact OD2-NH2 3.42Å; L226-R272 PolarHBondContact N-O 3.08Å; T265-R272 HydrophobicContact CG2-CG 3.51Å; Y267-R272 HydrophobicContact CD1-CB 4.3Å; Y267-R272 HydrophobicContact CE1-CB 3.77Å; Y267-R272 HydrophobicContact CE1-CG 4.3Å; Y267-R272 HydrophobicContact CE2-CG 4.37Å; S270-R272 PolarHBondContact O-N 2.96Å; R272-D274 IonicContact NE-OD2 3.37Å
273I98.6Very high96.3Very high0 Ų038.4 Ų38.40%021%0.214CC..EExtended strand (participates in β ladder)trans-127.3122.3177.7-49167.8000109.1L189 F192 L226 M228 T265 V266 A268 T271L189-I273 HydrophobicContact CD1-CD1 3.98Å; L189-I273 HydrophobicContact CD1-CG1 4.27Å; L189-I273 HydrophobicContact CD1-CG2 3.72Å; F192-I273 HydrophobicContact CB-CD1 4.06Å; F192-I273 HydrophobicContact CD1-CB 4.1Å; F192-I273 HydrophobicContact CD1-CD1 3.96Å; F192-I273 HydrophobicContact CD1-CG2 3.76Å; F192-I273 HydrophobicContact CE1-CB 4.38Å; F192-I273 HydrophobicContact CE1-CG2 3.99Å; F192-I273 HydrophobicContact CG-CD1 4.44Å; L226-I273 HydrophobicContact CB-CG1 4.34Å; L226-I273 HydrophobicContact CB-CG2 4.39Å; L226-I273 CarbonylContact O-C 3.53Å; L226-I273 VanDerWaalsContact O-CA 3.27Å; L226-I273 WeakPolarHBondContact O-CA 3.35Å; M228-I273 HydrophobicContact CE-CG2 4.14Å; T265-I273 WeakPolarHBondContact CA-O 3.38Å; V266-I273 PolarHBondContact N-O 2.79Å; V266-I273 PolarHBondContact O-N 3.47Å; A268-I273 HydrophobicContact CB-CD1 4.01Å; T271-I273 HydrophobicContact CG2-CD1 4.47Å; T271-I273 HydrophobicContact CG2-CG1 4.02Å
274D98.5Very high96.2Very high13 Ų1341.7 Ų41.77%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-95.9124.7176.4-62.1-32.2000109.1L226 D227 M228 T265 R272 F276L226-D274 PolarHBondContact O-N 2.95Å; D227-D274 WeakPolarHBondContact CA-O 3.19Å; M228-D274 PolarHBondContact N-O 2.82Å; M228-D274 VanDerWaalsContact O-O 3.13Å; T265-D274 VanDerWaalsContact CB-OD1 3.27Å; T265-D274 WeakPolarHBondContact CB-OD1 3.45Å; T265-D274 WeakPolarHBondContact CG2-OD1 3.4Å; T265-D274 PolarHBondContact OG1-OD1 3.42Å; R272-D274 IonicContact NE-OD2 3.37Å; D274-F276 HydrophobicContact CB-CE2 3.75Å; D274-F276 HydrophobicContact CB-CZ 3.97Å
275L98.7Very high96.2Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-109.2105.1176.7176.765.6000109.2F192 L196 M228 A230 E263 L264 F277F192-L275 HydrophobicContact CE1-CB 4.13Å; F192-L275 HydrophobicContact CZ-CB 4.19Å; F192-L275 HydrophobicContact CZ-CD2 3.94Å; L196-L275 HydrophobicContact CD1-CD1 4.19Å; L196-L275 HydrophobicContact CD1-CD2 3.99Å; L196-L275 HydrophobicContact CD2-CD2 4.04Å; M228-L275 HydrophobicContact CB-CD1 4.11Å; M228-L275 WeakPolarHBondContact O-CA 3.18Å; A230-L275 HydrophobicContact CB-CD1 4.2Å; E263-L275 WeakPolarHBondContact CA-O 3.18Å; L264-L275 HydrophobicContact CB-CB 4.41Å; L264-L275 HydrophobicContact CD1-CD2 4.49Å; L264-L275 PolarHBondContact N-O 3.1Å; L264-L275 PolarHBondContact O-N 3.13Å; L275-F277 HydrophobicContact CD2-CE2 4.02Å; L275-F277 HydrophobicContact CD2-CZ 3.93Å; L275-F277 HydrophobicContact CG-CE2 4.21Å; L275-F277 HydrophobicContact CG-CZ 4.43Å
276F98.6Very high96.3Very high28 Ų2843 Ų4312%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-86.3138.2174.8-58.7-85.9000110.8F206 D227 M228 A229 A230 E263 D274 V287F206-F276 HydrophobicContact CD1-CD2 4.27Å; D227-F276 HydrophobicContact CB-CE2 4.29Å; M228-F276 WeakPolarHBondContact O-CD2 3.44Å; M228-F276 PolarHBondContact O-N 3.43Å; A229-F276 CarbonylContact C-O 3.54Å; A229-F276 WeakPolarHBondContact CA-O 3.28Å; A229-F276 HydrophobicContact CB-CB 4.27Å; A230-F276 PolarHBondContact N-O 3.27Å; E263-F276 HydrophobicContact CB-CD1 4.38Å; E263-F276 VanDerWaalsContact CD-CE1 3.48Å; E263-F276 HydrophobicContact CG-CD1 3.83Å; E263-F276 HydrophobicContact CG-CE1 3.82Å; E263-F276 WeakPolarHBondContact OE2-CE1 3.35Å; D274-F276 HydrophobicContact CB-CE2 3.75Å; D274-F276 HydrophobicContact CB-CZ 3.97Å; F276-V287 HydrophobicContact CB-CB 4.26Å; F276-V287 HydrophobicContact CB-CG1 4.08Å; F276-V287 HydrophobicContact CD1-CG2 4.33Å
277F98.6Very high96.3Very high1 Ų143.1 Ų43.10%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-95.1127.4167.5-72.7-88.2000111.1A230 I232 Y235 L239 L262 L264 L275 Y279A230-F277 HydrophobicContact CB-CD1 4.4Å; A230-F277 HydrophobicContact CB-CE1 4.26Å; A230-F277 CarbonylContact O-C 3.46Å; A230-F277 WeakPolarHBondContact O-CA 3.43Å; I232-F277 HydrophobicContact CB-CB 4.16Å; I232-F277 HydrophobicContact CD1-CB 3.63Å; I232-F277 HydrophobicContact CD1-CD1 3.83Å; I232-F277 HydrophobicContact CD1-CG 3.78Å; I232-F277 HydrophobicContact CG1-CB 4.44Å; Y235-F277 AromaticContact CD2-CE1 3.87Å; Y235-F277 HydrophobicContact CD2-CE1 3.87Å; Y235-F277 HydrophobicContact CD2-CE2 4.25Å; Y235-F277 AromaticContact CD2-CZ 3.67Å; Y235-F277 HydrophobicContact CD2-CZ 3.67Å; Y235-F277 HydrophobicContact CE2-CZ 4.47Å; Y235-F277 HydrophobicContact CG-CE1 4.36Å; L239-F277 HydrophobicContact CD2-CE2 4.46Å; L239-F277 HydrophobicContact CD2-CZ 3.79Å; L262-F277 HydrophobicContact CB-CB 4.24Å; L262-F277 HydrophobicContact CB-CD2 3.93Å; L262-F277 HydrophobicContact CB-CG 4.34Å; L262-F277 HydrophobicContact CD2-CD2 3.51Å; L262-F277 HydrophobicContact CD2-CE2 3.61Å; L262-F277 HydrophobicContact CD2-CG 4.1Å; L262-F277 HydrophobicContact CD2-CZ 4.28Å; L262-F277 HydrophobicContact CG-CD2 3.55Å; L262-F277 HydrophobicContact CG-CE2 3.94Å; L262-F277 HydrophobicContact CG-CG 4.35Å; L262-F277 WeakPolarHBondContact O-CB 3.29Å; L262-F277 PolarHBondContact O-N 3.05Å; L262-F277 VanDerWaalsContact O-N 3.07Å; L264-F277 HydrophobicContact CD1-CE2 4.04Å; L264-F277 HydrophobicContact CG-CE2 4.12Å; L275-F277 HydrophobicContact CD2-CE2 4.02Å; L275-F277 HydrophobicContact CD2-CZ 3.93Å; L275-F277 HydrophobicContact CG-CE2 4.21Å; L275-F277 HydrophobicContact CG-CZ 4.43Å; F277-Y279 HydrophobicContact CB-CE2 4.25Å; F277-Y279 VanDerWaalsContact O-CD2 3.24Å; F277-Y279 WeakPolarHBondContact O-CD2 3.47Å; F277-Y279 VanDerWaalsContact O-CE2 3.26Å; F277-Y279 WeakPolarHBondContact O-CE2 3.44Å
278V98.6Very high96.3Very high1 Ų140.6 Ų40.61%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-92.7127.8-179.7-174.80000110.4Y204 A229 A230 I232 V287 I305Y204-V278 WeakPolarHBondContact OH-CG2 3.49Å; A229-V278 HydrophobicContact CB-CG2 3.82Å; A230-V278 PolarHBondContact O-N 3.21Å; I232-V278 WeakPolarHBondContact CG2-O 3.26Å; I232-V278 PolarHBondContact N-O 3.01Å; V278-V287 HydrophobicContact CB-CG1 4.36Å; V278-V287 HydrophobicContact CG2-CG1 3.68Å; V278-I305 HydrophobicContact CG1-CD1 4.33Å
279Y98.3Very high96.3Very high17 Ų1740.6 Ų40.67%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-105.4123.3177.9-63-101000109I232 K257 P258 D260 S261 L262 F277 S285 W286I232-Y279 HydrophobicContact CB-CD1 4.15Å; I232-Y279 HydrophobicContact CB-CE1 4.01Å; I232-Y279 HydrophobicContact CB-CG 4.44Å; I232-Y279 HydrophobicContact CD1-CE1 4.23Å; I232-Y279 HydrophobicContact CG1-CD1 4.2Å; I232-Y279 HydrophobicContact CG1-CE1 3.6Å; I232-Y279 HydrophobicContact CG2-CD1 3.68Å; I232-Y279 HydrophobicContact CG2-CE1 3.98Å; I232-Y279 HydrophobicContact CG2-CG 4.05Å; K257-Y279 PolarHBondContact O-OH 3.19Å; P258-Y279 VanDerWaalsContact O-CE1 3.27Å; P258-Y279 WeakPolarHBondContact O-CE1 3.4Å; P258-Y279 PolarHBondContact O-OH 3.1Å; D260-Y279 PolarHBondContact N-OH 3.23Å; S261-Y279 PolarHBondContact N-OH 2.86Å; L262-Y279 WeakPolarHBondContact CB-OH 3.22Å; L262-Y279 PolarHBondContact N-OH 3.37Å; F277-Y279 HydrophobicContact CB-CE2 4.25Å; F277-Y279 VanDerWaalsContact O-CD2 3.24Å; F277-Y279 WeakPolarHBondContact O-CD2 3.47Å; F277-Y279 VanDerWaalsContact O-CE2 3.26Å; F277-Y279 WeakPolarHBondContact O-CE2 3.44Å; Y279-S285 CarbonylContact O-C 3.52Å; Y279-S285 WeakPolarHBondContact O-CA 3.47Å; Y279-W286 VanDerWaalsContact CB-CZ2 3.49Å; Y279-W286 AromaticContact CD1-CH2 3.92Å; Y279-W286 HydrophobicContact CD1-CH2 3.92Å; Y279-W286 AromaticContact CD1-CZ2 3.75Å; Y279-W286 HydrophobicContact CD1-CZ2 3.75Å; Y279-W286 HydrophobicContact CD2-CD2 4.22Å; Y279-W286 AromaticContact CD2-CE3 3.94Å; Y279-W286 HydrophobicContact CD2-CE3 3.94Å; Y279-W286 AromaticContact CD2-CH2 3.63Å; Y279-W286 HydrophobicContact CD2-CH2 3.63Å; Y279-W286 AromaticContact CD2-CZ2 3.93Å; Y279-W286 HydrophobicContact CD2-CZ2 3.93Å; Y279-W286 AromaticContact CD2-CZ3 3.64Å; Y279-W286 HydrophobicContact CD2-CZ3 3.64Å; Y279-W286 HydrophobicContact CE1-CH2 4.26Å; Y279-W286 HydrophobicContact CE1-CZ2 4.49Å; Y279-W286 HydrophobicContact CE2-CH2 4.01Å; Y279-W286 HydrophobicContact CE2-CZ3 4.03Å; Y279-W286 HydrophobicContact CG-CD2 4.18Å; Y279-W286 AromaticContact CG-CE2 3.74Å; Y279-W286 HydrophobicContact CG-CE3 4.32Å; Y279-W286 AromaticContact CG-CH2 3.62Å; Y279-W286 HydrophobicContact CG-CH2 3.62Å; Y279-W286 AromaticContact CG-CZ2 3.45Å; Y279-W286 HydrophobicContact CG-CZ2 3.45Å; Y279-W286 VanDerWaalsContact CG-CZ2 3.45Å; Y279-W286 HydrophobicContact CG-CZ3 4.06Å; Y279-W286 PolarHBondContact N-O 3.28Å; Y279-W286 PolarHBondContact O-N 2.85Å
280N96.1Very high96.5Very high81 Ų8136 Ų3643%0.43320%0.204SC..EExtended strand (participates in β ladder)trans-90.1128.7175.2-71.3-24.3000110.1S285N280-S285 PolarHBondContact OD1-OG 2.82Å
281N91.3Very high96.8Very high115 Ų11531.2 Ų31.262%0.61517%0.169SC*.EExtended strand (participates in β ladder)trans-131.5102.7174.3-176.210.1000109.7N283 N284N281-N283 PolarHBondContact O-N 3.4Å; N281-N283 VanDerWaalsContact O-N 3.08Å; N281-N284 CarbonylContact C-O 3.52Å; N281-N284 PolarHBondContact N-O 2.81Å; N281-N284 PolarHBondContact O-N 2.8Å
282G92.3Very high96.6Very high50 Ų5033 Ų3352%0.51518%0.18SC..THydrogen-bonded Turntrans58-112.6-178.100000112.4K304G282-K304 WeakPolarHBondContact O-CD 3.3Å; G282-K304 WeakPolarHBondContact O-CE 3.47Å; G282-K304 PolarHBondContact O-NZ 3.19Å
283N94Very high96.4Very high134 Ų13434.9 Ų34.972%0.71721%0.205SC*.THydrogen-bonded Turntrans-966.8179.9-73.5-9.2000114.1N281 K304N281-N283 PolarHBondContact O-N 3.4Å; N281-N283 VanDerWaalsContact O-N 3.08Å; N283-K304 WeakPolarHBondContact O-CB 3.27Å; N283-K304 PolarHBondContact O-N 2.93Å
284N96.9Very high96.2Very high89 Ų8938.7 Ų38.748%0.47622%0.223SC..EExtended strand (participates in β ladder)trans-124.9158.2179.6-61.7-54.7000110.9N281 Y302N281-N284 CarbonylContact C-O 3.52Å; N281-N284 PolarHBondContact N-O 2.81Å; N281-N284 PolarHBondContact O-N 2.8Å; N284-Y302 WeakPolarHBondContact CA-O 3.44Å
285S98.2Very high96.1Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-116.6155.6167.4-64.30000108.6Y279 N280 Y302 K304 I305Y279-S285 CarbonylContact O-C 3.52Å; Y279-S285 WeakPolarHBondContact O-CA 3.47Å; N280-S285 PolarHBondContact OD1-OG 2.82Å; S285-Y302 PolarHBondContact N-O 2.81Å; S285-Y302 PolarHBondContact O-N 2.8Å; S285-Y302 VanDerWaalsContact O-O 3.11Å; S285-K304 WeakPolarHBondContact OG-CA 3.42Å; S285-I305 PolarHBondContact OG-N 2.9Å
286W98.2Very high95.9Very high27 Ų2746.1 Ų46.110%0.10225%0.25CC..EExtended strand (participates in β ladder)trans-148.8152.5173.663.8-88.9000111.8Y279 R299 W300 L301Y279-W286 VanDerWaalsContact CB-CZ2 3.49Å; Y279-W286 AromaticContact CD1-CH2 3.92Å; Y279-W286 HydrophobicContact CD1-CH2 3.92Å; Y279-W286 AromaticContact CD1-CZ2 3.75Å; Y279-W286 HydrophobicContact CD1-CZ2 3.75Å; Y279-W286 HydrophobicContact CD2-CD2 4.22Å; Y279-W286 AromaticContact CD2-CE3 3.94Å; Y279-W286 HydrophobicContact CD2-CE3 3.94Å; Y279-W286 AromaticContact CD2-CH2 3.63Å; Y279-W286 HydrophobicContact CD2-CH2 3.63Å; Y279-W286 AromaticContact CD2-CZ2 3.93Å; Y279-W286 HydrophobicContact CD2-CZ2 3.93Å; Y279-W286 AromaticContact CD2-CZ3 3.64Å; Y279-W286 HydrophobicContact CD2-CZ3 3.64Å; Y279-W286 HydrophobicContact CE1-CH2 4.26Å; Y279-W286 HydrophobicContact CE1-CZ2 4.49Å; Y279-W286 HydrophobicContact CE2-CH2 4.01Å; Y279-W286 HydrophobicContact CE2-CZ3 4.03Å; Y279-W286 HydrophobicContact CG-CD2 4.18Å; Y279-W286 AromaticContact CG-CE2 3.74Å; Y279-W286 HydrophobicContact CG-CE3 4.32Å; Y279-W286 AromaticContact CG-CH2 3.62Å; Y279-W286 HydrophobicContact CG-CH2 3.62Å; Y279-W286 AromaticContact CG-CZ2 3.45Å; Y279-W286 HydrophobicContact CG-CZ2 3.45Å; Y279-W286 VanDerWaalsContact CG-CZ2 3.45Å; Y279-W286 HydrophobicContact CG-CZ3 4.06Å; Y279-W286 PolarHBondContact N-O 3.28Å; Y279-W286 PolarHBondContact O-N 2.85Å; W286-R299 HydrophobicContact CB-CG 4.07Å; W286-R299 HydrophobicContact CD2-CG 4.28Å; W286-R299 HydrophobicContact CE3-CG 3.91Å; W286-R299 VanDerWaalsContact CE3-NE 3.32Å; W286-R299 HydrophobicContact CG-CG 4.38Å; W286-W300 WeakPolarHBondContact CA-O 3.42Å; W286-W300 VanDerWaalsContact CB-O 3.27Å; W286-W300 WeakPolarHBondContact CB-O 3.33Å; W286-L301 HydrophobicContact CB-CD2 3.73Å; W286-L301 HydrophobicContact CG-CD2 4.46Å
287V98.3Very high95.9Very high2 Ų245.3 Ų45.31%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-117.8149.7166.2-52.50000109F206 F276 V278 R299 W300 Y302F206-V287 HydrophobicContact CE1-CG1 3.92Å; F206-V287 HydrophobicContact CE1-CG2 4.36Å; F206-V287 HydrophobicContact CZ-CG1 4.26Å; F276-V287 HydrophobicContact CB-CB 4.26Å; F276-V287 HydrophobicContact CB-CG1 4.08Å; F276-V287 HydrophobicContact CD1-CG2 4.33Å; V278-V287 HydrophobicContact CB-CG1 4.36Å; V278-V287 HydrophobicContact CG2-CG1 3.68Å; V287-R299 WeakPolarHBondContact O-CA 3.33Å; V287-W300 HydrophobicContact CG2-CB 4.11Å; V287-W300 HydrophobicContact CG2-CD2 4.49Å; V287-W300 HydrophobicContact CG2-CE3 3.91Å; V287-W300 PolarHBondContact N-O 3.06Å; V287-W300 VanDerWaalsContact N-O 3.11Å; V287-W300 PolarHBondContact O-N 2.93Å; V287-Y302 HydrophobicContact CG1-CE2 4.29Å; V287-Y302 HydrophobicContact CG2-CE2 3.99Å
288G97.2Very high95.8Very high0 Ų045.2 Ų45.20%025%0.246CC..EExtended strand (participates in β ladder)trans-96.6169.8170.800000111.3L298G288-L298 WeakPolarHBondContact CA-O 3.19Å
289G95.8Very high95.8Very high0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-169.2-173.7168.100000108.3L298G289-L298 PolarHBondContact N-O 2.9Å; G289-L298 PolarHBondContact O-N 3.41Å
290M95.4Very high95.8Very high4 Ų447.8 Ų47.82%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-154.6161.5179.758.9-176.86800112.2L255 P292 R296 Y360 W365 V368 F369L255-M290 HydrophobicContact CB-CE 3.8Å; L255-M290 HydrophobicContact CB-CG 4.29Å; L255-M290 HydrophobicContact CB-SD 4Å; L255-M290 HydrophobicContact CD1-CG 4.05Å; L255-M290 HydrophobicContact CD2-SD 4.02Å; L255-M290 HydrophobicContact CG-SD 4.42Å; M290-P292 HydrophobicContact CG-CG 4.44Å; M290-P292 WeakPolarHBondContact O-CD 3.34Å; M290-R296 CarbonylContact C-O 3.46Å; M290-R296 WeakPolarHBondContact CA-O 3.27Å; M290-R296 WeakPolarHBondContact CB-O 3.32Å; M290-Y360 HydrophobicContact CB-CE2 4.12Å; M290-Y360 HydrophobicContact CE-CE2 3.67Å; M290-Y360 HydrophobicContact SD-CE2 4.31Å; M290-W365 HydrophobicContact SD-CH2 3.8Å; M290-W365 HydrophobicContact SD-CZ3 3.58Å; M290-W365 VanDerWaalsContact SD-CZ3 3.58Å; M290-V368 HydrophobicContact CE-CB 4.37Å; M290-V368 HydrophobicContact CE-CG2 4.26Å; M290-F369 HydrophobicContact SD-CD2 4.14Å
291I94.8Very high95.8Very high16 Ų1647 Ų478%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-103.199.6168.3-52.1178.7000107.1S293 Q294 R295 R296 L298 T348I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 3.02Å; I291-Q294 HydrophobicContact CB-CB 4.18Å; I291-Q294 HydrophobicContact CB-CG 4.48Å; I291-Q294 HydrophobicContact CG2-CB 4.01Å; I291-Q294 HydrophobicContact CG2-CG 3.82Å; I291-Q294 CarbonylContact O-C 3.53Å; I291-Q294 PolarHBondContact O-N 3.04Å; I291-R295 PolarHBondContact O-N 3.46Å; I291-R296 PolarHBondContact N-O 3.34Å; I291-R296 PolarHBondContact O-N 2.75Å; I291-L298 HydrophobicContact CD1-CD1 4.2Å; I291-L298 HydrophobicContact CD1-CD2 4.26Å; I291-L298 HydrophobicContact CG1-CD1 3.65Å; I291-L298 HydrophobicContact CG1-CD2 4.36Å; I291-L298 HydrophobicContact CG1-CG 4.15Å; I291-T348 HydrophobicContact CD1-CG2 3.88Å; I291-T348 HydrophobicContact CG1-CG2 3.86Å
292P92.6Very high96.2Very high43 Ų4342 Ų4228%0.27922%0.223SC..G310 helixtrans-59.6-39.3-171.3-27.936.3000114.3M290 Q294 R295 W365 F369M290-P292 HydrophobicContact CG-CG 4.44Å; M290-P292 WeakPolarHBondContact O-CD 3.34Å; P292-Q294 PolarHBondContact O-N 3.32Å; P292-Q294 VanDerWaalsContact O-N 3.15Å; P292-R295 PolarHBondContact O-N 3.19Å; P292-R295 VanDerWaalsContact O-N 3.15Å; P292-W365 HydrophobicContact CB-CH2 3.96Å; P292-W365 HydrophobicContact CB-CZ2 4.25Å; P292-F369 HydrophobicContact CB-CD2 4.29Å; P292-F369 HydrophobicContact CB-CE2 3.69Å; P292-F369 HydrophobicContact CB-CZ 4.2Å; P292-F369 HydrophobicContact CG-CD2 4.42Å; P292-F369 HydrophobicContact CG-CE2 3.8Å
293S93Very high96.4Very high111 Ų11141.5 Ų41.578%0.77621%0.211SC*.G310 helixtrans-63.1-21177.657.50000113.9I291I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 3.02Å
294Q94.6Very high96.6Very high81 Ų8139.1 Ų39.138%0.37919%0.194SC..G310 helixtrans-110.6-3.8179.9-60.41751000112.4I291 P292 R296I291-Q294 HydrophobicContact CB-CB 4.18Å; I291-Q294 HydrophobicContact CB-CG 4.48Å; I291-Q294 HydrophobicContact CG2-CB 4.01Å; I291-Q294 HydrophobicContact CG2-CG 3.82Å; I291-Q294 CarbonylContact O-C 3.53Å; I291-Q294 PolarHBondContact O-N 3.04Å; P292-Q294 PolarHBondContact O-N 3.32Å; P292-Q294 VanDerWaalsContact O-N 3.15Å; Q294-R296 HydrophobicContact CB-CB 3.97Å; Q294-R296 PolarHBondContact O-N 3.49Å; Q294-R296 VanDerWaalsContact OE1-CZ 3.25Å; Q294-R296 VanDerWaalsContact OE1-NE 3.12Å
295R95.8Very high96.6Very high95 Ų9535.4 Ų35.436%0.35817%0.174SC..THydrogen-bonded Turntrans45.932.7-168.6-55-174.2-176.9173.83.8112.7I291 P292 K359 Y360 D362 W365I291-R295 PolarHBondContact O-N 3.46Å; P292-R295 PolarHBondContact O-N 3.19Å; P292-R295 VanDerWaalsContact O-N 3.15Å; R295-K359 CarbonylContact O-C 3.53Å; R295-K359 VanDerWaalsContact O-CA 3.29Å; R295-K359 WeakPolarHBondContact O-CA 3.25Å; R295-Y360 WeakPolarHBondContact O-CD2 3.39Å; R295-Y360 PolarHBondContact O-N 3.41Å; R295-D362 IonicContact CZ-OD1 3.57Å; R295-D362 IonicContact NH1-OD1 3.72Å; R295-D362 PolarHBondContact NH1-OD1 3.13Å; R295-W365 HydrophobicContact CB-CD2 4.12Å; R295-W365 HydrophobicContact CB-CE3 3.77Å; R295-W365 HydrophobicContact CB-CZ3 4.03Å; R295-W365 HydrophobicContact CG-CD2 3.66Å; R295-W365 HydrophobicContact CG-CE3 3.81Å; R295-W365 HydrophobicContact CG-CG 4.22Å; R295-W365 HydrophobicContact CG-CH2 4.28Å; R295-W365 HydrophobicContact CG-CZ2 4.09Å; R295-W365 HydrophobicContact CG-CZ3 4.12Å
296R96.2Very high96.3Very high74 Ų7440.1 Ų40.128%0.27921%0.207SC..EExtended strand (participates in β ladder)trans-99.7129.9-172.4178.9155.757.4163.92109.9M290 I291 Q294 L357 K359M290-R296 CarbonylContact C-O 3.46Å; M290-R296 WeakPolarHBondContact CA-O 3.27Å; M290-R296 WeakPolarHBondContact CB-O 3.32Å; I291-R296 PolarHBondContact N-O 3.34Å; I291-R296 PolarHBondContact O-N 2.75Å; Q294-R296 HydrophobicContact CB-CB 3.97Å; Q294-R296 PolarHBondContact O-N 3.49Å; Q294-R296 VanDerWaalsContact OE1-CZ 3.25Å; Q294-R296 VanDerWaalsContact OE1-NE 3.12Å; R296-L357 WeakPolarHBondContact CG-O 3.44Å; R296-K359 HydrophobicContact CB-CG 4.38Å
297K97Very high96.2Very high10 Ų1043.7 Ų43.74%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-76.9145.2176.9-174.6176.8-177.3-178.90111D260 S261 L357 E358 Y360D260-K297 WeakPolarHBondContact OD1-CE 3.27Å; D260-K297 IonicContact OD1-NZ 3.15Å; D260-K297 PolarHBondContact OD1-NZ 3.37Å; D260-K297 IonicContact OD2-NZ 3.62Å; D260-K297 PolarHBondContact OD2-NZ 3.01Å; S261-K297 WeakPolarHBondContact OG-CE 3.32Å; K297-L357 HydrophobicContact CB-CB 3.99Å; K297-L357 HydrophobicContact CD-CB 4.33Å; K297-L357 HydrophobicContact CD-CD1 4.06Å; K297-L357 HydrophobicContact CG-CB 4.14Å; K297-L357 HydrophobicContact CG-CD1 4.11Å; K297-L357 PolarHBondContact O-N 3.12Å; K297-E358 WeakPolarHBondContact CB-O 3.45Å; K297-E358 PolarHBondContact N-O 2.9Å; K297-Y360 HydrophobicContact CB-CE2 3.78Å; K297-Y360 HydrophobicContact CD-CE1 4.23Å; K297-Y360 HydrophobicContact CG-CE2 4.27Å; K297-Y360 WeakPolarHBondContact CG-OH 3.45Å
298L97.5Very high96.1Very high0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-127154175.5-59.5176.2000110G288 G289 I291 W300 W347 T348 V354 Q355 H356G288-L298 WeakPolarHBondContact CA-O 3.19Å; G289-L298 PolarHBondContact N-O 2.9Å; G289-L298 PolarHBondContact O-N 3.41Å; I291-L298 HydrophobicContact CD1-CD1 4.2Å; I291-L298 HydrophobicContact CD1-CD2 4.26Å; I291-L298 HydrophobicContact CG1-CD1 3.65Å; I291-L298 HydrophobicContact CG1-CD2 4.36Å; I291-L298 HydrophobicContact CG1-CG 4.15Å; L298-W300 HydrophobicContact CB-CH2 3.5Å; L298-W300 VanDerWaalsContact CB-CH2 3.5Å; L298-W300 HydrophobicContact CB-CZ2 4.29Å; L298-W300 HydrophobicContact CB-CZ3 3.64Å; L298-W300 HydrophobicContact CD1-CH2 3.55Å; L298-W300 HydrophobicContact CD1-CZ2 4.05Å; L298-W300 HydrophobicContact CD1-CZ3 4.48Å; L298-W300 HydrophobicContact CG-CH2 4.18Å; L298-W347 HydrophobicContact CD1-CE3 4.39Å; L298-W347 HydrophobicContact CD1-CH2 4.07Å; L298-W347 HydrophobicContact CD1-CZ3 3.48Å; L298-W347 VanDerWaalsContact CD1-CZ3 3.48Å; L298-T348 HydrophobicContact CD1-CG2 3.86Å; L298-V354 HydrophobicContact CD2-CG2 4.36Å; L298-Q355 VanDerWaalsContact CA-O 3.32Å; L298-Q355 WeakPolarHBondContact CA-O 3.3Å; L298-H356 HydrophobicContact CD2-CB 4.45Å; L298-H356 VanDerWaalsContact CD2-ND1 3.27Å; L298-H356 WeakPolarHBondContact CD2-ND1 3.41Å
299R97.5Very high96.1Very high59 Ų5945.2 Ų45.222%0.22323%0.229CC..EExtended strand (participates in β ladder)trans-143.2136173.1179.4173.6-72.2161.8-2.9110.2D260 W286 V287 L301 V354 Q355 L357D260-R299 IonicContact OD1-NH2 2.69Å; W286-R299 HydrophobicContact CB-CG 4.07Å; W286-R299 HydrophobicContact CD2-CG 4.28Å; W286-R299 HydrophobicContact CE3-CG 3.91Å; W286-R299 VanDerWaalsContact CE3-NE 3.32Å; W286-R299 HydrophobicContact CG-CG 4.38Å; V287-R299 WeakPolarHBondContact O-CA 3.33Å; R299-L301 HydrophobicContact CG-CD2 3.99Å; R299-V354 CarbonylContact O-C 3.57Å; R299-Q355 HydrophobicContact CB-CB 4.45Å; R299-Q355 PolarHBondContact N-O 3.05Å; R299-Q355 VanDerWaalsContact N-O 3.07Å; R299-Q355 PolarHBondContact O-N 2.97Å; R299-L357 HydrophobicContact CB-CD1 3.78Å; R299-L357 HydrophobicContact CB-CG 4.41Å
300W98.2Very high96.2Very high12 Ų1246.4 Ų46.45%0.04523%0.234CC..EExtended strand (participates in β ladder)trans-109.9126.7169.3-64.9-105.9000108.5W286 V287 L298 Y302 W347 H351 N353 V354W286-W300 WeakPolarHBondContact CA-O 3.42Å; W286-W300 VanDerWaalsContact CB-O 3.27Å; W286-W300 WeakPolarHBondContact CB-O 3.33Å; V287-W300 HydrophobicContact CG2-CB 4.11Å; V287-W300 HydrophobicContact CG2-CD2 4.49Å; V287-W300 HydrophobicContact CG2-CE3 3.91Å; V287-W300 PolarHBondContact N-O 3.06Å; V287-W300 VanDerWaalsContact N-O 3.11Å; V287-W300 PolarHBondContact O-N 2.93Å; L298-W300 HydrophobicContact CB-CH2 3.5Å; L298-W300 VanDerWaalsContact CB-CH2 3.5Å; L298-W300 HydrophobicContact CB-CZ2 4.29Å; L298-W300 HydrophobicContact CB-CZ3 3.64Å; L298-W300 HydrophobicContact CD1-CH2 3.55Å; L298-W300 HydrophobicContact CD1-CZ2 4.05Å; L298-W300 HydrophobicContact CD1-CZ3 4.48Å; L298-W300 HydrophobicContact CG-CH2 4.18Å; W300-Y302 HydrophobicContact CB-CE2 3.57Å; W300-W347 AromaticContact CH2-CE3 3.91Å; W300-W347 HydrophobicContact CH2-CE3 3.91Å; W300-W347 AromaticContact CH2-CZ3 3.72Å; W300-W347 HydrophobicContact CH2-CZ3 3.72Å; W300-W347 AromaticContact CZ2-CE3 3.72Å; W300-W347 HydrophobicContact CZ2-CE3 3.72Å; W300-W347 AromaticContact CZ2-CZ3 3.98Å; W300-W347 HydrophobicContact CZ2-CZ3 3.98Å; W300-H351 AromaticContact CD1-CG 3.89Å; W300-H351 AromaticContact CD1-ND1 3.36Å; W300-H351 AromaticContact CE2-ND1 3.87Å; W300-H351 AromaticContact NE1-CG 3.54Å; W300-H351 AromaticContact NE1-ND1 2.93Å; W300-H351 PolarHBondContact NE1-ND1 3.27Å; W300-N353 VanDerWaalsContact CD1-OD1 3.26Å; W300-V354 HydrophobicContact CD2-CG2 4.23Å; W300-V354 VanDerWaalsContact CE2-CG2 3.47Å; W300-V354 HydrophobicContact CH2-CG2 4.36Å; W300-V354 HydrophobicContact CZ2-CB 4.38Å; W300-V354 HydrophobicContact CZ2-CG2 3.53Å
301L97.6Very high96.3Very high65 Ų6546.2 Ų46.234%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-95.3137.9177.6-61.1-177.1000110.4W286 R299 N353 Q355W286-L301 HydrophobicContact CB-CD2 3.73Å; W286-L301 HydrophobicContact CG-CD2 4.46Å; R299-L301 HydrophobicContact CG-CD2 3.99Å; L301-N353 PolarHBondContact N-O 3.31Å; L301-N353 VanDerWaalsContact O-CB 3.3Å; L301-N353 WeakPolarHBondContact O-CB 3.24Å; L301-N353 PolarHBondContact O-ND2 2.85Å; L301-Q355 VanDerWaalsContact CD1-NE2 3.31Å
302Y98.3Very high96.4Very high9 Ų947.9 Ų47.94%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-130.3151.4-179.3-62.2-83.7000110.8F206 N284 S285 V287 W300 I327 A330 D331 N353F206-Y302 HydrophobicContact CE1-CE1 4.46Å; F206-Y302 HydrophobicContact CE1-CE2 4.01Å; F206-Y302 AromaticContact CE1-CZ 3.78Å; F206-Y302 HydrophobicContact CZ-CD1 4.31Å; F206-Y302 HydrophobicContact CZ-CD2 4.14Å; F206-Y302 AromaticContact CZ-CE1 3.82Å; F206-Y302 HydrophobicContact CZ-CE1 3.82Å; F206-Y302 AromaticContact CZ-CE2 3.63Å; F206-Y302 HydrophobicContact CZ-CE2 3.63Å; F206-Y302 HydrophobicContact CZ-CG 4.46Å; F206-Y302 AromaticContact CZ-CZ 3.47Å; F206-Y302 VanDerWaalsContact CZ-CZ 3.47Å; N284-Y302 WeakPolarHBondContact CA-O 3.44Å; S285-Y302 PolarHBondContact N-O 2.81Å; S285-Y302 PolarHBondContact O-N 2.8Å; S285-Y302 VanDerWaalsContact O-O 3.11Å; V287-Y302 HydrophobicContact CG1-CE2 4.29Å; V287-Y302 HydrophobicContact CG2-CE2 3.99Å; W300-Y302 HydrophobicContact CB-CE2 3.57Å; Y302-I327 HydrophobicContact CD1-CD1 4.18Å; Y302-I327 HydrophobicContact CD1-CG2 3.87Å; Y302-I327 HydrophobicContact CE1-CG2 3.98Å; Y302-I327 HydrophobicContact CG-CD1 4.48Å; Y302-A330 HydrophobicContact CD1-CB 3.99Å; Y302-A330 HydrophobicContact CE1-CB 4.48Å; Y302-D331 WeakPolarHBondContact CE1-OD1 3.43Å; Y302-D331 WeakPolarHBondContact CE1-OD2 3.42Å; Y302-D331 PolarHBondContact OH-OD1 2.81Å; Y302-D331 PolarHBondContact OH-OD2 3.45Å; Y302-N353 WeakPolarHBondContact CE1-ND2 3.27Å
303P97.6Very high96.6Very high40 Ų4045.9 Ų45.926%0.2623%0.227SC..EExtended strand (participates in β ladder)trans-50.6148.5155.9-2739000110.5I305 E326P303-I305 PolarHBondContact O-N 2.92Å; P303-E326 HydrophobicContact CB-CB 4.22Å; P303-E326 HydrophobicContact CG-CB 4.04Å
304K97.8Very high96.7Very high84 Ų8443.4 Ų43.437%0.36521%0.205SC..  trans-57123.3-174.7-169.4171.5-173.7163.10111.8G282 N283 S285 S306 N323G282-K304 WeakPolarHBondContact O-CD 3.3Å; G282-K304 WeakPolarHBondContact O-CE 3.47Å; G282-K304 PolarHBondContact O-NZ 3.19Å; N283-K304 WeakPolarHBondContact O-CB 3.27Å; N283-K304 PolarHBondContact O-N 2.93Å; S285-K304 WeakPolarHBondContact OG-CA 3.42Å; K304-S306 PolarHBondContact O-N 3.38Å; K304-N323 PolarHBondContact O-ND2 2.83Å
305I97.2Very high96.6Very high11 Ų1140.6 Ų40.66%0.05620%0.197CC..  trans-85.787.5168.9-56.9173.1000107.2Y204 F206 V278 S285 P303 L308 P321 I327Y204-I305 HydrophobicContact CE2-CD1 4.21Å; F206-I305 HydrophobicContact CE2-CD1 3.87Å; F206-I305 HydrophobicContact CZ-CD1 4.48Å; V278-I305 HydrophobicContact CG1-CD1 4.33Å; S285-I305 PolarHBondContact OG-N 2.9Å; P303-I305 PolarHBondContact O-N 2.92Å; I305-L308 HydrophobicContact CG2-CD2 4.11Å; I305-P321 HydrophobicContact CD1-CG 4.33Å; I305-P321 HydrophobicContact CG2-CB 4.12Å; I305-P321 HydrophobicContact CG2-CG 4.38Å; I305-I327 HydrophobicContact CD1-CD1 3.99Å; I305-I327 HydrophobicContact CG1-CD1 3.63Å; I305-I327 HydrophobicContact CG1-CG1 4.38Å
306S92.1Very high96.5Very high100 Ų10036.3 Ų36.370%0.69918%0.182SC*.  trans-91.8-24.6-176.958.20000113.6K304K304-S306 PolarHBondContact O-N 3.38Å
307R95.4Very high96.5Very high102 Ų10233.1 Ų33.139%0.38517%0.17SC..  trans-144.4144.5-175.1-171177.7170.8-129.21.5111.2E155 C322E155-R307 IonicContact OE1-NH1 2.98Å; E155-R307 IonicContact OE2-CZ 2.94Å; E155-R307 IonicContact OE2-NH1 2.66Å; E155-R307 PolarHBondContact OE2-NH1 2.94Å; E155-R307 IonicContact OE2-NH2 3.16Å; E155-R307 PolarHBondContact OE2-NH2 2.91Å; R307-C322 PolarHBondContact O-N 2.91Å; R307-C322 VanDerWaalsContact O-N 3.12Å
308L97.3Very high96.5Very high33 Ų3332.9 Ų32.917%0.17317%0.169CC..EExtended strand (participates in β ladder)trans-105.1145.3173-57.9179.9000110.5T202 Y204 I305 V320 C322T202-L308 HydrophobicContact CG2-CD1 3.9Å; Y204-L308 HydrophobicContact CD1-CD1 3.7Å; Y204-L308 HydrophobicContact CD1-CD2 3.57Å; Y204-L308 HydrophobicContact CD1-CG 4.3Å; Y204-L308 HydrophobicContact CD2-CD2 4.31Å; Y204-L308 HydrophobicContact CE1-CD1 4.31Å; Y204-L308 HydrophobicContact CE1-CD2 3.92Å; Y204-L308 HydrophobicContact CG-CD1 4.41Å; Y204-L308 HydrophobicContact CG-CD2 3.76Å; I305-L308 HydrophobicContact CG2-CD2 4.11Å; L308-V320 CarbonylContact C-O 3.55Å; L308-V320 VanDerWaalsContact CA-O 3.29Å; L308-V320 WeakPolarHBondContact CA-O 3.19Å; L308-C322 PolarHBondContact O-SG 3Å
309C97.7Very high96.6Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-118.3170.3174-77.50000108.5E155 I157 S319 V320 C322E155-C309 CarbonylContact O-C 3.47Å; E155-C309 VanDerWaalsContact O-CA 3.32Å; E155-C309 WeakPolarHBondContact O-CA 3.25Å; E155-C309 VanDerWaalsContact O-CB 3.27Å; E155-C309 WeakPolarHBondContact O-CB 3.38Å; I157-C309 HydrophobicContact CD1-CB 3.56Å; I157-C309 HydrophobicContact CG1-CB 3.87Å; C309-S319 CarbonylContact O-C 3.56Å; C309-S319 WeakPolarHBondContact O-CA 3.43Å; C309-V320 HydrophobicContact CB-CG2 4.16Å; C309-V320 PolarHBondContact N-O 2.9Å; C309-V320 PolarHBondContact O-N 2.96Å; C309-C322 HydrophobicContact CB-CB 4.12Å; C309-C322 WeakPolarHBondContact CB-SG 3.45Å; C309-C322 PolarHBondContact N-SG 3.41Å; C309-C322 WeakPolarHBondContact SG-CB 3.41Å; C309-C322 CovalentContact SG-SG 2.05Å; C309-C322 PolarHBondContact SG-SG 2.9Å
310K97.4Very high96.6Very high25 Ų2530.4 Ų30.411%0.10916%0.161CC..EExtended strand (participates in β ladder)trans-99149176-60.3-56-174.6-159.80111.4A120 E153 E155 F156 I157 L317 F318 S319A120-K310 HydrophobicContact CB-CB 4.08Å; E153-K310 WeakPolarHBondContact O-CE 3.44Å; E153-K310 WeakPolarHBondContact O-CG 3.17Å; E155-K310 PolarHBondContact O-N 2.73Å; F156-K310 WeakPolarHBondContact CA-O 3.5Å; F156-K310 HydrophobicContact CD2-CB 4.32Å; I157-K310 PolarHBondContact N-O 3.43Å; K310-L317 HydrophobicContact CB-CD1 4.11Å; K310-L317 HydrophobicContact CB-CD2 4.41Å; K310-L317 HydrophobicContact CB-CG 4.35Å; K310-L317 HydrophobicContact CD-CD2 4.34Å; K310-L317 HydrophobicContact CG-CD2 4.36Å; K310-F318 CarbonylContact C-O 3.52Å; K310-F318 WeakPolarHBondContact CA-O 3.41Å; K310-S319 PolarHBondContact NZ-OG 3.38Å; K310-S319 VanDerWaalsContact NZ-OG 3.11Å
311A97.3Very high96.6Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-144.9138.9-178.200000109.9W213 L317 F318 V320W213-A311 HydrophobicContact CD2-CB 4.19Å; W213-A311 VanDerWaalsContact CE2-CB 3.45Å; W213-A311 HydrophobicContact CH2-CB 3.87Å; W213-A311 HydrophobicContact CZ2-CB 3.28Å; A311-L317 WeakPolarHBondContact O-CA 3.31Å; A311-F318 PolarHBondContact N-O 3.43Å; A311-F318 PolarHBondContact O-N 2.9Å; A311-V320 HydrophobicContact CB-CB 4.37Å; A311-V320 HydrophobicContact CB-CG1 3.53Å; A311-V320 HydrophobicContact CB-CG2 3.9Å
312E95.8Very high96.6Very high51 Ų5128.5 Ų28.524%0.23816%0.155CC..EExtended strand (participates in β ladder)trans-92.3123.6169.6-170.7-174.4111.700109H105 F156 W213 E316H105-E312 IonicContact CE1-OE2 3.57Å; H105-E312 PolarHBondContact CE1-OE2 3.24Å; H105-E312 IonicContact NE2-OE2 2.87Å; H105-E312 PolarHBondContact NE2-OE2 2.7Å; F156-E312 HydrophobicContact CE2-CB 3.97Å; F156-E312 HydrophobicContact CZ-CB 4.08Å; W213-E312 VanDerWaalsContact CD1-O 3.25Å; W213-E312 PolarHBondContact NE1-O 3.24Å; E312-E316 CarbonylContact C-O 3.58Å; E312-E316 WeakPolarHBondContact CA-O 3.34Å
313L97Very high96.6Very high2 Ų229.5 Ų29.51%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-122.6114.1170.3176.860.5000108.1I186 L205 T209 W213 G315 E316 F318I186-L313 HydrophobicContact CD1-CB 4.23Å; I186-L313 HydrophobicContact CD1-CD2 3.6Å; I186-L313 HydrophobicContact CD1-CG 3.64Å; I186-L313 WeakPolarHBondContact CG1-O 3.3Å; L205-L313 HydrophobicContact CD1-CB 4.35Å; L205-L313 HydrophobicContact CD1-CD2 3.94Å; L205-L313 HydrophobicContact CD2-CD2 4.49Å; T209-L313 HydrophobicContact CG2-CD2 4.27Å; W213-L313 HydrophobicContact CB-CD1 4.03Å; W213-L313 HydrophobicContact CB-CD2 4.48Å; W213-L313 HydrophobicContact CG-CD1 4.44Å; L313-G315 PolarHBondContact O-N 2.82Å; L313-E316 PolarHBondContact N-O 3.19Å; L313-E316 PolarHBondContact O-N 3.34Å; L313-F318 HydrophobicContact CB-CD2 3.99Å; L313-F318 HydrophobicContact CB-CE2 4.16Å
314L94.7Very high96.6Very high59 Ų5927.7 Ų27.731%0.30915%0.149SC..THydrogen-bonded Turntrans50.540.9177.9-55.9172.6000113.3D183 I186 I219 E316D183-L314 HydrophobicContact CB-CD1 3.86Å; I186-L314 HydrophobicContact CB-CB 4.3Å; I186-L314 HydrophobicContact CB-CD1 4.36Å; I186-L314 HydrophobicContact CG1-CB 4.14Å; I186-L314 HydrophobicContact CG2-CB 4.26Å; I219-L314 HydrophobicContact CD1-CD1 3.95Å; I219-L314 HydrophobicContact CG1-CD1 4.11Å; L314-E316 VanDerWaalsContact C-N 3.34Å
315G92.9Very high96.6Very high21 Ų2127.2 Ų27.222%0.21615%0.15CC..THydrogen-bonded Turntrans85.5-4.5178.300000115.8L313L313-G315 PolarHBondContact O-N 2.82Å
316E95Very high96.6Very high6 Ų631.6 Ų31.63%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-101.9142.4175.8-77.4-60.3127.200112R104 I186 A190 R193 E312 L313 L314 F318R104-E316 WeakPolarHBondContact CD-OE1 3.5Å; R104-E316 IonicContact CZ-OE1 3.93Å; R104-E316 IonicContact NE-OE1 2.77Å; R104-E316 PolarHBondContact NE-OE1 3.15Å; R104-E316 IonicContact NH1-OE1 2.61Å; R104-E316 PolarHBondContact NH1-OE1 3.46Å; R104-E316 IonicContact NH1-OE2 2.7Å; I186-E316 HydrophobicContact CG1-CB 3.93Å; I186-E316 HydrophobicContact CG1-CG 3.97Å; I186-E316 HydrophobicContact CG2-CG 4.42Å; A190-E316 HydrophobicContact CB-CG 3.89Å; A190-E316 WeakPolarHBondContact CB-OE2 3.45Å; R193-E316 IonicContact CZ-OE2 3.57Å; R193-E316 IonicContact NH1-OE2 3.19Å; R193-E316 PolarHBondContact NH1-OE2 3.21Å; R193-E316 IonicContact NH2-OE2 3.01Å; R193-E316 PolarHBondContact NH2-OE2 3.37Å; R193-E316 VanDerWaalsContact NH2-OE2 3.09Å; E312-E316 CarbonylContact C-O 3.58Å; E312-E316 WeakPolarHBondContact CA-O 3.34Å; L313-E316 PolarHBondContact N-O 3.19Å; L313-E316 PolarHBondContact O-N 3.34Å; L314-E316 VanDerWaalsContact C-N 3.34Å; E316-F318 HydrophobicContact CB-CD2 4.19Å; E316-F318 HydrophobicContact CB-CE2 3.37Å; E316-F318 HydrophobicContact CB-CZ 3.93Å; E316-F318 HydrophobicContact CG-CE2 4.48Å
317L95.8Very high96.9Very high7 Ų726.8 Ų26.84%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-92.5125.1178.7-161.373.2000110.9H105 A120 R122 F156 R193 K310 A311H105-L317 HydrophobicContact CB-CB 4.37Å; H105-L317 HydrophobicContact CB-CD2 4.12Å; A120-L317 HydrophobicContact CB-CD1 3.59Å; A120-L317 HydrophobicContact CB-CD2 4.02Å; A120-L317 HydrophobicContact CB-CG 4.47Å; R122-L317 HydrophobicContact CB-CD2 4.11Å; F156-L317 HydrophobicContact CD2-CD1 4.4Å; F156-L317 HydrophobicContact CE2-CD1 4.3Å; R193-L317 WeakPolarHBondContact CD-O 3.33Å; R193-L317 PolarHBondContact NH1-O 2.97Å; K310-L317 HydrophobicContact CB-CD1 4.11Å; K310-L317 HydrophobicContact CB-CD2 4.41Å; K310-L317 HydrophobicContact CB-CG 4.35Å; K310-L317 HydrophobicContact CD-CD2 4.34Å; K310-L317 HydrophobicContact CG-CD2 4.36Å; A311-L317 WeakPolarHBondContact O-CA 3.31Å
318F97.2Very high97Very high4 Ų422 Ų222%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-123.4165.2175-64.2-88000110.6I186 L189 A190 R193 L205 K310 A311 L313 E316I186-F318 HydrophobicContact CD1-CE2 3.55Å; I186-F318 HydrophobicContact CD1-CZ 3.76Å; I186-F318 HydrophobicContact CG1-CE2 4.03Å; I186-F318 HydrophobicContact CG1-CZ 4.22Å; L189-F318 HydrophobicContact CB-CE1 4.33Å; L189-F318 HydrophobicContact CB-CZ 4.19Å; L189-F318 HydrophobicContact CD2-CE1 3.91Å; L189-F318 HydrophobicContact CD2-CZ 3.9Å; L189-F318 HydrophobicContact CG-CE1 3.74Å; L189-F318 HydrophobicContact CG-CZ 3.96Å; A190-F318 HydrophobicContact CB-CZ 4.16Å; R193-F318 HydrophobicContact CB-CD1 4.3Å; R193-F318 HydrophobicContact CB-CE1 4.03Å; R193-F318 HydrophobicContact CG-CD1 4.29Å; R193-F318 HydrophobicContact CG-CE1 4.44Å; L205-F318 HydrophobicContact CD1-CB 4.14Å; L205-F318 HydrophobicContact CD1-CG 4.46Å; L205-F318 HydrophobicContact CD2-CB 3.86Å; L205-F318 HydrophobicContact CD2-CD1 3.82Å; L205-F318 HydrophobicContact CD2-CD2 4.26Å; L205-F318 HydrophobicContact CD2-CE1 4.46Å; L205-F318 HydrophobicContact CD2-CG 3.71Å; L205-F318 HydrophobicContact CG-CB 3.79Å; L205-F318 HydrophobicContact CG-CG 4.18Å; K310-F318 CarbonylContact C-O 3.52Å; K310-F318 WeakPolarHBondContact CA-O 3.41Å; A311-F318 PolarHBondContact N-O 3.43Å; A311-F318 PolarHBondContact O-N 2.9Å; L313-F318 HydrophobicContact CB-CD2 3.99Å; L313-F318 HydrophobicContact CB-CE2 4.16Å; E316-F318 HydrophobicContact CB-CD2 4.19Å; E316-F318 HydrophobicContact CB-CE2 3.37Å; E316-F318 HydrophobicContact CB-CZ 3.93Å; E316-F318 HydrophobicContact CG-CE2 4.48Å
319S98Very high97Very high8 Ų823.6 Ų23.66%0.05613%0.128CC..EExtended strand (participates in β ladder)trans-87.3153.2164.7-54.80000109.8P203 Y204 L205 C309 K310P203-S319 WeakPolarHBondContact O-CB 3.33Å; Y204-S319 CarbonylContact C-O 3.48Å; Y204-S319 WeakPolarHBondContact CA-O 3.35Å; Y204-S319 VanDerWaalsContact CB-C 3.46Å; Y204-S319 WeakPolarHBondContact CB-O 3.29Å; L205-S319 PolarHBondContact N-O 2.79Å; C309-S319 CarbonylContact O-C 3.56Å; C309-S319 WeakPolarHBondContact O-CA 3.43Å; K310-S319 PolarHBondContact NZ-OG 3.38Å; K310-S319 VanDerWaalsContact NZ-OG 3.11Å
320V98.7Very high96.9Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-140.4156.5172.7-67.80000109.3I157 L205 L210 W213 L308 C309 A311 C322 V324I157-V320 HydrophobicContact CD1-CG2 4.5Å; L205-V320 HydrophobicContact CB-CG1 4.08Å; L205-V320 HydrophobicContact CD1-CG1 4.09Å; L205-V320 HydrophobicContact CG-CG1 4.15Å; L210-V320 HydrophobicContact CD1-CB 3.97Å; L210-V320 HydrophobicContact CD1-CG1 3.73Å; W213-V320 HydrophobicContact CD2-CG1 4.49Å; W213-V320 HydrophobicContact CE3-CG1 4Å; W213-V320 HydrophobicContact CH2-CB 4.47Å; W213-V320 HydrophobicContact CH2-CG1 4.16Å; W213-V320 HydrophobicContact CH2-CG2 3.99Å; W213-V320 HydrophobicContact CZ3-CB 4.22Å; W213-V320 HydrophobicContact CZ3-CG1 3.81Å; W213-V320 HydrophobicContact CZ3-CG2 4.21Å; L308-V320 CarbonylContact C-O 3.55Å; L308-V320 VanDerWaalsContact CA-O 3.29Å; L308-V320 WeakPolarHBondContact CA-O 3.19Å; C309-V320 HydrophobicContact CB-CG2 4.16Å; C309-V320 PolarHBondContact N-O 2.9Å; C309-V320 PolarHBondContact O-N 2.96Å; A311-V320 HydrophobicContact CB-CB 4.37Å; A311-V320 HydrophobicContact CB-CG1 3.53Å; A311-V320 HydrophobicContact CB-CG2 3.9Å; V320-C322 PolarHBondContact O-N 3.31Å; V320-V324 HydrophobicContact CG2-CG2 4.4Å
321P98.2Very high96.9Very high0 Ų023.3 Ų23.30%013%0.13CC..EExtended strand (participates in β ladder)trans-57.6133.2166-21.534.2000109.8Y204 L210 I305 N323 V324 I327Y204-P321 HydrophobicContact CD2-CG 3.93Å; Y204-P321 HydrophobicContact CE2-CG 4Å; L210-P321 HydrophobicContact CD2-CG 4.36Å; I305-P321 HydrophobicContact CD1-CG 4.33Å; I305-P321 HydrophobicContact CG2-CB 4.12Å; I305-P321 HydrophobicContact CG2-CG 4.38Å; P321-N323 PolarHBondContact O-N 2.88Å; P321-V324 WeakPolarHBondContact O-CG2 3.36Å; P321-V324 PolarHBondContact O-N 3.11Å; P321-I327 HydrophobicContact CB-CG1 3.95Å; P321-I327 HydrophobicContact CG-CG1 4.23Å
322C97.5Very high96.7Very high37 Ų3724.4 Ų24.425%0.2513%0.134CC..THydrogen-bonded Turntrans-64.3-29.1177.1-66.30000112.2I157 R307 L308 C309 V320 V324I157-C322 HydrophobicContact CD1-CB 4.5Å; R307-C322 PolarHBondContact O-N 2.91Å; R307-C322 VanDerWaalsContact O-N 3.12Å; L308-C322 PolarHBondContact O-SG 3Å; C309-C322 HydrophobicContact CB-CB 4.12Å; C309-C322 WeakPolarHBondContact CB-SG 3.45Å; C309-C322 PolarHBondContact N-SG 3.41Å; C309-C322 WeakPolarHBondContact SG-CB 3.41Å; C309-C322 CovalentContact SG-SG 2.05Å; C309-C322 PolarHBondContact SG-SG 2.9Å; V320-C322 PolarHBondContact O-N 3.31Å; C322-V324 VanDerWaalsContact C-N 3.28Å; C322-V324 PolarHBondContact O-N 3.13Å
323N97.4Very high96.6Very high29 Ų2922.6 Ų22.616%0.15513%0.129CC..THydrogen-bonded Turntrans-89.345.417763.4-30.7000112.9K304 P321 N325 E326 I327K304-N323 PolarHBondContact O-ND2 2.83Å; P321-N323 PolarHBondContact O-N 2.88Å; N323-N325 VanDerWaalsContact C-N 3.27Å; N323-N325 PolarHBondContact O-N 3.27Å; N323-N325 VanDerWaalsContact O-N 3.12Å; N323-E326 HydrophobicContact CB-CB 4.25Å; N323-E326 HydrophobicContact CB-CG 4.31Å; N323-E326 PolarHBondContact ND2-OE2 2.96Å; N323-E326 WeakPolarHBondContact O-CB 3.32Å; N323-E326 PolarHBondContact O-N 3.08Å; N323-I327 PolarHBondContact O-N 2.66Å
324V98.1Very high96.4Very high3 Ų328.3 Ų28.32%0.01816%0.163CC..Hα-helixtrans-46-47.2-175.6-174.20000113.1I157 L210 W213 Y214 V320 P321 C322 E326 I327 L328I157-V324 HydrophobicContact CD1-CG2 4.33Å; L210-V324 HydrophobicContact CD1-CG1 4.13Å; L210-V324 HydrophobicContact CD2-CG1 4.35Å; L210-V324 HydrophobicContact CG-CG1 4.18Å; W213-V324 HydrophobicContact CH2-CG2 4.3Å; W213-V324 HydrophobicContact CZ3-CG1 4.11Å; W213-V324 HydrophobicContact CZ3-CG2 3.91Å; Y214-V324 HydrophobicContact CD1-CG1 3.65Å; Y214-V324 HydrophobicContact CD2-CB 4.47Å; Y214-V324 HydrophobicContact CD2-CG1 3.91Å; Y214-V324 HydrophobicContact CE1-CB 4.48Å; Y214-V324 HydrophobicContact CE1-CG1 4.07Å; Y214-V324 HydrophobicContact CE2-CB 4.44Å; Y214-V324 HydrophobicContact CE2-CG1 4.3Å; Y214-V324 HydrophobicContact CG-CG1 3.56Å; V320-V324 HydrophobicContact CG2-CG2 4.4Å; P321-V324 WeakPolarHBondContact O-CG2 3.36Å; P321-V324 PolarHBondContact O-N 3.11Å; C322-V324 VanDerWaalsContact C-N 3.28Å; C322-V324 PolarHBondContact O-N 3.13Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.21Å; V324-I327 PolarHBondContact O-N 2.97Å; V324-L328 HydrophobicContact CG1-CD1 3.83Å; V324-L328 HydrophobicContact CG1-CG 4.15Å; V324-L328 WeakPolarHBondContact O-CG 3.42Å; V324-L328 PolarHBondContact O-N 3.03Å
325N97.1Very high96.1Very high74 Ų7432.3 Ų32.340%0.39618%0.178SC..Hα-helixtrans-58.8-40.7-178.7-75.7-44.6000113Y214 N323 N329 W336Y214-N325 VanDerWaalsContact CE1-OD1 3.25Å; Y214-N325 WeakPolarHBondContact CE1-OD1 3.47Å; Y214-N325 PolarHBondContact OH-ND2 2.85Å; N323-N325 VanDerWaalsContact C-N 3.27Å; N323-N325 PolarHBondContact O-N 3.27Å; N323-N325 VanDerWaalsContact O-N 3.12Å; N325-N329 WeakPolarHBondContact O-CB 3.36Å; N325-N329 PolarHBondContact O-N 3.02Å; N325-W336 WeakPolarHBondContact OD1-CZ2 3.37Å
326E97.6Very high96.1Very high102 Ų10232.4 Ų32.448%0.47717%0.172SC..Hα-helixtrans-69.3-39.7-179.6-67.7172.3-150.200111.1P303 N323 V324 N329 A330P303-E326 HydrophobicContact CB-CB 4.22Å; P303-E326 HydrophobicContact CG-CB 4.04Å; N323-E326 HydrophobicContact CB-CB 4.25Å; N323-E326 HydrophobicContact CB-CG 4.31Å; N323-E326 PolarHBondContact ND2-OE2 2.96Å; N323-E326 WeakPolarHBondContact O-CB 3.32Å; N323-E326 PolarHBondContact O-N 3.08Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.21Å; E326-N329 PolarHBondContact O-N 3.35Å; E326-A330 WeakPolarHBondContact O-CB 3.45Å; E326-A330 PolarHBondContact O-N 2.56Å
327I98.2Very high95.7Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-65.1-49.4176.8-56.9-52.3000110.6F206 L210 Y302 I305 P321 N323 V324 N329 A330 D331F206-I327 HydrophobicContact CE2-CG2 3.9Å; F206-I327 HydrophobicContact CZ-CG2 4.47Å; L210-I327 HydrophobicContact CD2-CB 4.43Å; L210-I327 HydrophobicContact CD2-CG2 3.96Å; Y302-I327 HydrophobicContact CD1-CD1 4.18Å; Y302-I327 HydrophobicContact CD1-CG2 3.87Å; Y302-I327 HydrophobicContact CE1-CG2 3.98Å; Y302-I327 HydrophobicContact CG-CD1 4.48Å; I305-I327 HydrophobicContact CD1-CD1 3.99Å; I305-I327 HydrophobicContact CG1-CD1 3.63Å; I305-I327 HydrophobicContact CG1-CG1 4.38Å; P321-I327 HydrophobicContact CB-CG1 3.95Å; P321-I327 HydrophobicContact CG-CG1 4.23Å; N323-I327 PolarHBondContact O-N 2.66Å; V324-I327 PolarHBondContact O-N 2.97Å; I327-N329 VanDerWaalsContact C-N 3.32Å; I327-N329 PolarHBondContact O-N 3.09Å; I327-A330 WeakPolarHBondContact O-CB 3.33Å; I327-A330 PolarHBondContact O-N 3.29Å; I327-A330 VanDerWaalsContact O-N 3.14Å; I327-D331 PolarHBondContact O-N 2.71Å; I327-D331 VanDerWaalsContact O-N 3.1Å
328L97.7Very high95.2Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-65.8-35177.9-65.3-179.2000112.4L210 L211 Y214 V324 A330 D331 Y332 W336L210-L328 HydrophobicContact CD2-CD2 4.18Å; L210-L328 HydrophobicContact CG-CD2 4.25Å; L211-L328 HydrophobicContact CB-CD2 3.87Å; L211-L328 HydrophobicContact CD1-CD1 4.19Å; L211-L328 HydrophobicContact CD1-CD2 4.15Å; Y214-L328 HydrophobicContact CD1-CD1 3.68Å; Y214-L328 HydrophobicContact CG-CD1 4.29Å; V324-L328 HydrophobicContact CG1-CD1 3.83Å; V324-L328 HydrophobicContact CG1-CG 4.15Å; V324-L328 WeakPolarHBondContact O-CG 3.42Å; V324-L328 PolarHBondContact O-N 3.03Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-D331 PolarHBondContact O-N 2.84Å; L328-Y332 HydrophobicContact CD2-CD2 4.19Å; L328-Y332 HydrophobicContact CD2-CE2 3.93Å; L328-Y332 WeakPolarHBondContact O-CD2 3.33Å; L328-Y332 PolarHBondContact O-N 2.7Å; L328-W336 HydrophobicContact CB-CB 4.26Å; L328-W336 HydrophobicContact CB-CD2 3.88Å; L328-W336 HydrophobicContact CB-CE3 4.2Å; L328-W336 HydrophobicContact CB-CG 3.9Å; L328-W336 HydrophobicContact CD1-CD2 4.12Å; L328-W336 HydrophobicContact CD1-CE3 3.65Å; L328-W336 HydrophobicContact CD1-CH2 4.28Å; L328-W336 HydrophobicContact CD1-CZ3 3.74Å
329N97Very high94.1Very high68 Ų6838.2 Ų38.236%0.36421%0.206SC..Hα-helixtrans-66.9-34.3173.7-176.562.2000112.1N325 E326 I327 G333 V334N325-N329 WeakPolarHBondContact O-CB 3.36Å; N325-N329 PolarHBondContact O-N 3.02Å; E326-N329 PolarHBondContact O-N 3.35Å; I327-N329 VanDerWaalsContact C-N 3.32Å; I327-N329 PolarHBondContact O-N 3.09Å; N329-G333 WeakPolarHBondContact O-CA 3.47Å; N329-G333 PolarHBondContact O-N 3.06Å; N329-G333 PolarHBondContact OD1-O 2.66Å; N329-V334 VanDerWaalsContact OD1-CA 3.23Å; N329-V334 WeakPolarHBondContact OD1-CA 3.14Å; N329-V334 WeakPolarHBondContact OD1-CG1 3.43Å; N329-V334 PolarHBondContact OD1-N 2.89Å
330A97.3Very high92.6Very high18 Ų1841.1 Ų41.115%0.14922%0.22CC..Hα-helixtrans-65.7-45.2174.100000111.6Y302 E326 I327 L328 N353Y302-A330 HydrophobicContact CD1-CB 3.99Å; Y302-A330 HydrophobicContact CE1-CB 4.48Å; E326-A330 WeakPolarHBondContact O-CB 3.45Å; E326-A330 PolarHBondContact O-N 2.56Å; I327-A330 WeakPolarHBondContact O-CB 3.33Å; I327-A330 PolarHBondContact O-N 3.29Å; I327-A330 VanDerWaalsContact O-N 3.14Å; L328-A330 VanDerWaalsContact C-N 3.33Å; A330-N353 VanDerWaalsContact O-CB 3.29Å; A330-N353 WeakPolarHBondContact O-CB 3.27Å; A330-N353 PolarHBondContact O-N 2.85Å; A330-N353 PolarHBondContact O-OD1 2.55Å
331D95.6Very high90.9Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-69.8-52.6179.4-78.2-26.7000112.5Y302 I327 L328 H351 R352 N353Y302-D331 WeakPolarHBondContact CE1-OD1 3.43Å; Y302-D331 WeakPolarHBondContact CE1-OD2 3.42Å; Y302-D331 PolarHBondContact OH-OD1 2.81Å; Y302-D331 PolarHBondContact OH-OD2 3.45Å; I327-D331 PolarHBondContact O-N 2.71Å; I327-D331 VanDerWaalsContact O-N 3.1Å; L328-D331 PolarHBondContact O-N 2.84Å; D331-H351 CarbonylContact O-C 3.52Å; D331-H351 WeakPolarHBondContact O-CA 3.29Å; D331-R352 PolarHBondContact O-N 3.02Å; D331-N353 PolarHBondContact OD1-ND2 3.16Å; D331-N353 VanDerWaalsContact OD1-ND2 3.15Å; D331-N353 PolarHBondContact OD1-OD1 3.22Å
332Y94.4Very high89.2Confident24 Ų2452.4 Ų52.49%0.09427%0.273CS..Hα-helixtrans-112.2-5-165.1-52.6-79.8000113.5G208 L211 L328 W336 F345 H351G208-Y332 PolarHBondContact N-OH 3.33Å; L211-Y332 HydrophobicContact CB-CE2 3.98Å; L211-Y332 HydrophobicContact CD1-CD2 4.39Å; L211-Y332 HydrophobicContact CD1-CE2 4.39Å; L211-Y332 HydrophobicContact CD2-CD1 4.27Å; L211-Y332 HydrophobicContact CD2-CD2 4.12Å; L211-Y332 HydrophobicContact CD2-CE1 3.88Å; L211-Y332 HydrophobicContact CD2-CE2 3.72Å; L211-Y332 HydrophobicContact CD2-CG 4.4Å; L211-Y332 HydrophobicContact CG-CE2 4.24Å; L328-Y332 HydrophobicContact CD2-CD2 4.19Å; L328-Y332 HydrophobicContact CD2-CE2 3.93Å; L328-Y332 WeakPolarHBondContact O-CD2 3.33Å; L328-Y332 PolarHBondContact O-N 2.7Å; Y332-W336 HydrophobicContact CD2-CB 4.32Å; Y332-W336 HydrophobicContact CG-CB 4.33Å; Y332-F345 AromaticContact CD1-CE2 3.94Å; Y332-F345 HydrophobicContact CD1-CE2 3.94Å; Y332-F345 HydrophobicContact CD1-CZ 4.33Å; Y332-F345 AromaticContact CE1-CE2 3.74Å; Y332-F345 HydrophobicContact CE1-CE2 3.74Å; Y332-F345 AromaticContact CE1-CZ 3.69Å; Y332-F345 HydrophobicContact CE1-CZ 3.69Å; Y332-H351 AromaticContact CE1-CD2 3.84Å; Y332-H351 AromaticContact CE1-NE2 3.55Å; Y332-H351 AromaticContact CZ-NE2 3.76Å
333G93.3Very high87.6Confident13 Ų1361.3 Ų61.313%0.13430%0.301CS..  trans76.7-175.2-17600000113.6N329 K335 W336N329-G333 WeakPolarHBondContact O-CA 3.47Å; N329-G333 PolarHBondContact O-N 3.06Å; N329-G333 PolarHBondContact OD1-O 2.66Å; G333-K335 PolarHBondContact O-N 2.81Å; G333-W336 WeakPolarHBondContact O-CB 3.4Å; G333-W336 VanDerWaalsContact O-CD1 3.29Å; G333-W336 PolarHBondContact O-N 3.16Å
334V92Very high86.7Confident121 Ų12163.9 Ų63.973%0.73332%0.318SS*.THydrogen-bonded Turntrans-60.7-16.1-174.6-60.40000114.5N329N329-V334 VanDerWaalsContact OD1-CA 3.23Å; N329-V334 WeakPolarHBondContact OD1-CA 3.14Å; N329-V334 WeakPolarHBondContact OD1-CG1 3.43Å; N329-V334 PolarHBondContact OD1-N 2.89Å
335K89.8Confident86.1Confident143 Ų14366.7 Ų66.762%0.62233%0.331SS*.THydrogen-bonded Turntrans-100.519177.5-63.4-174179.11790113G333 S337 H338G333-K335 PolarHBondContact O-N 2.81Å; K335-S337 PolarHBondContact O-N 3.38Å; K335-H338 WeakPolarHBondContact O-CB 3.39Å; K335-H338 PolarHBondContact O-N 2.78Å
336W91.8Very high85.7Confident24 Ų2469.1 Ų69.19%0.09134%0.338CS..THydrogen-bonded Turntrans-53-28.6178.367.8-103.1000113.1M163 L211 Y214 R215 N325 L328 Y332 G333 H338M163-W336 HydrophobicContact CE-CH2 4.2Å; M163-W336 HydrophobicContact SD-CH2 3.9Å; M163-W336 HydrophobicContact SD-CZ3 4.3Å; L211-W336 HydrophobicContact CD1-CE3 3.9Å; Y214-W336 AromaticContact CD1-CH2 3.53Å; Y214-W336 HydrophobicContact CD1-CH2 3.53Å; Y214-W336 HydrophobicContact CD1-CZ2 4.39Å; Y214-W336 AromaticContact CD1-CZ3 3.84Å; Y214-W336 HydrophobicContact CD1-CZ3 3.84Å; Y214-W336 AromaticContact CE1-CH2 3.55Å; Y214-W336 HydrophobicContact CE1-CH2 3.55Å; Y214-W336 HydrophobicContact CE1-CZ2 4.13Å; Y214-W336 HydrophobicContact CE1-CZ3 4.33Å; R215-W336 HydrophobicContact CB-CZ3 4.26Å; R215-W336 PolarHBondContact NH1-O 2.84Å; N325-W336 WeakPolarHBondContact OD1-CZ2 3.37Å; L328-W336 HydrophobicContact CB-CB 4.26Å; L328-W336 HydrophobicContact CB-CD2 3.88Å; L328-W336 HydrophobicContact CB-CE3 4.2Å; L328-W336 HydrophobicContact CB-CG 3.9Å; L328-W336 HydrophobicContact CD1-CD2 4.12Å; L328-W336 HydrophobicContact CD1-CE3 3.65Å; L328-W336 HydrophobicContact CD1-CH2 4.28Å; L328-W336 HydrophobicContact CD1-CZ3 3.74Å; Y332-W336 HydrophobicContact CD2-CB 4.32Å; Y332-W336 HydrophobicContact CG-CB 4.33Å; G333-W336 WeakPolarHBondContact O-CB 3.4Å; G333-W336 VanDerWaalsContact O-CD1 3.29Å; G333-W336 PolarHBondContact O-N 3.16Å; W336-H338 PolarHBondContact O-N 2.85Å
337S87.5Confident85.1Confident32 Ų3270.1 Ų70.122%0.22434%0.337CS..THydrogen-bonded Turntrans-71.5-9.3177.5590000114.3R215 K335R215-S337 WeakPolarHBondContact CD-O 3.21Å; K335-S337 PolarHBondContact O-N 3.38Å
338H84.1Confident84.7Confident84 Ų8471.1 Ų71.139%0.38934%0.343SS..SBendtrans-94.4141.2175.2-63.7-179.1000110.8R215 K335 W336 I340R215-H338 PolarHBondContact NH1-O 2.96Å; K335-H338 WeakPolarHBondContact O-CB 3.39Å; K335-H338 PolarHBondContact O-N 2.78Å; W336-H338 PolarHBondContact O-N 2.85Å; H338-I340 PolarHBondContact O-N 2.74Å
339A74.2Confident84.3Confident22 Ų2278.9 Ų78.918%0.18238%0.377CS..PPolyproline II helixtrans-63.2130.6168.700000109.6M167 Y171M167-A339 HydrophobicContact CE-CB 3.59Å; M167-A339 HydrophobicContact SD-CB 4.35Å; Y171-A339 HydrophobicContact CD1-CB 4.25Å; Y171-A339 HydrophobicContact CD2-CB 3.64Å; Y171-A339 HydrophobicContact CE1-CB 4.06Å; Y171-A339 HydrophobicContact CE2-CB 3.43Å; Y171-A339 VanDerWaalsContact CE2-CB 3.43Å; Y171-A339 HydrophobicContact CG-CB 4.05Å
340I67.8Low84Confident69 Ų6977.4 Ų77.435%0.35437%0.372SS..PPolyproline II helixtrans-91.7131.8163.4-59.2172.4000106H338 H342 T344 F345H338-I340 PolarHBondContact O-N 2.74Å; I340-H342 PolarHBondContact O-N 2.95Å; I340-H342 VanDerWaalsContact O-N 3.17Å; I340-T344 WeakPolarHBondContact CG2-OG1 3.34Å; I340-F345 HydrophobicContact CD1-CD2 3.95Å; I340-F345 HydrophobicContact CD1-CE2 4.38Å; I340-F345 HydrophobicContact CG2-CB 4.16Å; I340-F345 HydrophobicContact CG2-CD2 4.49Å
341E63.5Low83.8Confident150 Ų15077.6 Ų77.670%0.70137%0.37SS*.PPolyproline II helixtrans-61.6121.2174-68.1-172.7178.700109.6R343 T344E341-R343 PolarHBondContact O-N 2.83Å; E341-T344 PolarHBondContact O-N 3.08Å; E341-T344 PolarHBondContact O-OG1 3.18Å
342H61.8Low83.7Confident88 Ų8887.1 Ų87.141%0.40741%0.406SS..G310 helixtrans-39.4-41.1-175.2166.4-82.2000114.4K180 H222 I340 T344 F345K180-H342 PolarHBondContact NZ-NE2 3.45Å; H222-H342 HydrophobicContact CB-CB 4.18Å; H222-H342 AromaticContact CD2-CD2 3.56Å; H222-H342 AromaticContact CD2-CG 3.99Å; H222-H342 AromaticContact CG-CD2 3.88Å; H222-H342 PolarHBondContact O-CD2 3.32Å; I340-H342 PolarHBondContact O-N 2.95Å; I340-H342 VanDerWaalsContact O-N 3.17Å; H342-T344 PolarHBondContact O-N 3.31Å; H342-T344 VanDerWaalsContact O-N 3.13Å; H342-F345 PolarHBondContact O-N 3.38Å
343R64Low83.7Confident223 Ų22387 Ų8784%0.84241%0.407SS*.G310 helixtrans-65.9-15-175.3-66.2-174.5176.2-168.1-1.7114E341E341-R343 PolarHBondContact O-N 2.83Å
344T78.4Confident83.9Confident83 Ų8387.7 Ų87.751%0.50941%0.408SS..G310 helixtrans-106.7-7.4-176.464.10000113.3I340 E341 H342I340-T344 WeakPolarHBondContact CG2-OG1 3.34Å; E341-T344 PolarHBondContact O-N 3.08Å; E341-T344 PolarHBondContact O-OG1 3.18Å; H342-T344 PolarHBondContact O-N 3.31Å; H342-T344 VanDerWaalsContact O-N 3.13Å
345F84.9Confident84.2Confident63 Ų6385.6 Ų85.628%0.27639%0.39SS..  trans-93.3119.4-176.6-172.6-94000111.5Y332 I340 H342 W347 H351Y332-F345 AromaticContact CD1-CE2 3.94Å; Y332-F345 HydrophobicContact CD1-CE2 3.94Å; Y332-F345 HydrophobicContact CD1-CZ 4.33Å; Y332-F345 AromaticContact CE1-CE2 3.74Å; Y332-F345 HydrophobicContact CE1-CE2 3.74Å; Y332-F345 AromaticContact CE1-CZ 3.69Å; Y332-F345 HydrophobicContact CE1-CZ 3.69Å; I340-F345 HydrophobicContact CD1-CD2 3.95Å; I340-F345 HydrophobicContact CD1-CE2 4.38Å; I340-F345 HydrophobicContact CG2-CB 4.16Å; I340-F345 HydrophobicContact CG2-CD2 4.49Å; H342-F345 PolarHBondContact O-N 3.38Å; F345-W347 HydrophobicContact CE1-CB 4.24Å; F345-H351 AromaticContact CZ-CD2 3.59Å; F345-H351 AromaticContact CZ-NE2 3.44Å; F345-H351 WeakPolarHBondContact CZ-NE2 3.46Å
346F88.1Confident84.5Confident124 Ų12482.7 Ų82.754%0.54438%0.379SS..  trans-126.7111.9173.3-64.2-84.8000108.5T348 K349 S350F346-T348 PolarHBondContact O-N 3.33Å; F346-K349 HydrophobicContact CB-CB 4.33Å; F346-K349 PolarHBondContact O-N 3.31Å; F346-S350 PolarHBondContact N-OG 3.23Å; F346-S350 VanDerWaalsContact O-CB 3.29Å; F346-S350 WeakPolarHBondContact O-CB 3.47Å; F346-S350 PolarHBondContact O-N 3.17Å; F346-S350 PolarHBondContact O-OG 3.14Å
347W86.6Confident84.7Confident123 Ų12383.5 Ų83.547%0.46639%0.385SS..Hα-helixtrans-53.2-31.1-175.959.3-95.4000114.2L298 W300 F345 K349L298-W347 HydrophobicContact CD1-CE3 4.39Å; L298-W347 HydrophobicContact CD1-CH2 4.07Å; L298-W347 HydrophobicContact CD1-CZ3 3.48Å; L298-W347 VanDerWaalsContact CD1-CZ3 3.48Å; W300-W347 AromaticContact CH2-CE3 3.91Å; W300-W347 HydrophobicContact CH2-CE3 3.91Å; W300-W347 AromaticContact CH2-CZ3 3.72Å; W300-W347 HydrophobicContact CH2-CZ3 3.72Å; W300-W347 AromaticContact CZ2-CE3 3.72Å; W300-W347 HydrophobicContact CZ2-CE3 3.72Å; W300-W347 AromaticContact CZ2-CZ3 3.98Å; W300-W347 HydrophobicContact CZ2-CZ3 3.98Å; F345-W347 HydrophobicContact CE1-CB 4.24Å; W347-K349 VanDerWaalsContact C-N 3.3Å; W347-K349 PolarHBondContact O-N 2.81Å
348T88.4Confident85.1Confident21 Ų2187.7 Ų87.713%0.12940%0.401CS..Hα-helixtrans-72.8-13.917650.60000115.1I291 L298 F346 H356I291-T348 HydrophobicContact CD1-CG2 3.88Å; I291-T348 HydrophobicContact CG1-CG2 3.86Å; L298-T348 HydrophobicContact CD1-CG2 3.86Å; F346-T348 PolarHBondContact O-N 3.33Å; T348-H356 PolarHBondContact O-NE2 2.95Å
349K89.1Confident85.6Confident164 Ų16490.8 Ų90.871%0.71341%0.413SS*.Hα-helixtrans-133-32.4-171.6-64.1-178.3178.7-179.40113.8F346 W347F346-K349 HydrophobicContact CB-CB 4.33Å; F346-K349 PolarHBondContact O-N 3.31Å; W347-K349 VanDerWaalsContact C-N 3.3Å; W347-K349 PolarHBondContact O-N 2.81Å
350S91Very high86.6Confident36 Ų3690.4 Ų90.425%0.25241%0.407SS..Hα-helixtrans-85.5-25.1-173.1-59.80000112.6F346F346-S350 PolarHBondContact N-OG 3.23Å; F346-S350 VanDerWaalsContact O-CB 3.29Å; F346-S350 WeakPolarHBondContact O-CB 3.47Å; F346-S350 PolarHBondContact O-N 3.17Å; F346-S350 PolarHBondContact O-OG 3.14Å
351H93.5Very high87.9Confident22 Ų2289.8 Ų89.810%0.10241%0.409CS..  trans-66134.6172-75172.4000110.4W300 D331 Y332 F345 V354W300-H351 AromaticContact CD1-CG 3.89Å; W300-H351 AromaticContact CD1-ND1 3.36Å; W300-H351 AromaticContact CE2-ND1 3.87Å; W300-H351 AromaticContact NE1-CG 3.54Å; W300-H351 AromaticContact NE1-ND1 2.93Å; W300-H351 PolarHBondContact NE1-ND1 3.27Å; D331-H351 CarbonylContact O-C 3.52Å; D331-H351 WeakPolarHBondContact O-CA 3.29Å; Y332-H351 AromaticContact CE1-CD2 3.84Å; Y332-H351 AromaticContact CE1-NE2 3.55Å; Y332-H351 AromaticContact CZ-NE2 3.76Å; F345-H351 AromaticContact CZ-CD2 3.59Å; F345-H351 AromaticContact CZ-NE2 3.44Å; F345-H351 WeakPolarHBondContact CZ-NE2 3.46Å; H351-V354 HydrophobicContact CB-CB 4.18Å; H351-V354 HydrophobicContact CB-CG1 4.48Å; H351-V354 VanDerWaalsContact O-CG1 3.28Å; H351-V354 WeakPolarHBondContact O-CG1 3.43Å
352R93Very high89.4Confident201 Ų20188 Ų8876%0.75840%0.404SS*.THydrogen-bonded Turntrans-77.6-24.9-174.4-65-63.4-173.8174-1.5113.5D331D331-R352 PolarHBondContact O-N 3.02Å
353N96Very high90.9Very high22 Ų2288.8 Ų88.812%0.11842%0.415CS..THydrogen-bonded Turntrans-100.55.7-178.160.1-17.3000113.6W300 L301 Y302 A330 D331W300-N353 VanDerWaalsContact CD1-OD1 3.26Å; L301-N353 PolarHBondContact N-O 3.31Å; L301-N353 VanDerWaalsContact O-CB 3.3Å; L301-N353 WeakPolarHBondContact O-CB 3.24Å; L301-N353 PolarHBondContact O-ND2 2.85Å; Y302-N353 WeakPolarHBondContact CE1-ND2 3.27Å; A330-N353 VanDerWaalsContact O-CB 3.29Å; A330-N353 WeakPolarHBondContact O-CB 3.27Å; A330-N353 PolarHBondContact O-N 2.85Å; A330-N353 PolarHBondContact O-OD1 2.55Å; D331-N353 PolarHBondContact OD1-ND2 3.16Å; D331-N353 VanDerWaalsContact OD1-ND2 3.15Å; D331-N353 PolarHBondContact OD1-OD1 3.22Å
354V96.9Very high92.3Very high26 Ų2680.7 Ų80.716%0.15839%0.387CS..EExtended strand (participates in β ladder)trans-72.7130.8178.971.30000111.2L298 R299 W300 H351L298-V354 HydrophobicContact CD2-CG2 4.36Å; R299-V354 CarbonylContact O-C 3.57Å; W300-V354 HydrophobicContact CD2-CG2 4.23Å; W300-V354 VanDerWaalsContact CE2-CG2 3.47Å; W300-V354 HydrophobicContact CH2-CG2 4.36Å; W300-V354 HydrophobicContact CZ2-CB 4.38Å; W300-V354 HydrophobicContact CZ2-CG2 3.53Å; H351-V354 HydrophobicContact CB-CB 4.18Å; H351-V354 HydrophobicContact CB-CG1 4.48Å; H351-V354 VanDerWaalsContact O-CG1 3.28Å; H351-V354 WeakPolarHBondContact O-CG1 3.43Å
355Q97Very high93.1Very high77 Ų7778.2 Ų78.236%0.3637%0.368SS..EExtended strand (participates in β ladder)trans-113.2127.3173.8-61.9-176.2-30.100109.3L298 R299 L301 L357L298-Q355 VanDerWaalsContact CA-O 3.32Å; L298-Q355 WeakPolarHBondContact CA-O 3.3Å; R299-Q355 HydrophobicContact CB-CB 4.45Å; R299-Q355 PolarHBondContact N-O 3.05Å; R299-Q355 VanDerWaalsContact N-O 3.07Å; R299-Q355 PolarHBondContact O-N 2.97Å; L301-Q355 VanDerWaalsContact CD1-NE2 3.31Å; Q355-L357 HydrophobicContact CB-CD2 4.25Å
356H96.6Very high93.5Very high83 Ų8383.4 Ų83.438%0.38439%0.391SS..EExtended strand (participates in β ladder)trans-85.2111.9168.6-70.8-86.3000109.2L298 T348L298-H356 HydrophobicContact CD2-CB 4.45Å; L298-H356 VanDerWaalsContact CD2-ND1 3.27Å; L298-H356 WeakPolarHBondContact CD2-ND1 3.41Å; T348-H356 PolarHBondContact O-NE2 2.95Å
357L96.5Very high93.7Very high40 Ų4086.5 Ų86.521%0.20940%0.399CS..EExtended strand (participates in β ladder)trans-97.8-174.3179.8-59.7-176.6000110.5R296 K297 R299 Q355R296-L357 WeakPolarHBondContact CG-O 3.44Å; K297-L357 HydrophobicContact CB-CB 3.99Å; K297-L357 HydrophobicContact CD-CB 4.33Å; K297-L357 HydrophobicContact CD-CD1 4.06Å; K297-L357 HydrophobicContact CG-CB 4.14Å; K297-L357 HydrophobicContact CG-CD1 4.11Å; K297-L357 PolarHBondContact O-N 3.12Å; R299-L357 HydrophobicContact CB-CD1 3.78Å; R299-L357 HydrophobicContact CB-CG 4.41Å; Q355-L357 HydrophobicContact CB-CD2 4.25Å
358E95Very high94.2Very high121 Ų12180.7 Ų80.757%0.56538%0.377SS*.EExtended strand (participates in β ladder)trans-57.4161177.865-76.6172.900113.4K297K297-E358 WeakPolarHBondContact CB-O 3.45Å; K297-E358 PolarHBondContact N-O 2.9Å
359K96.3Very high94.5Very high149 Ų14982.1 Ų82.165%0.64838%0.382SS*.EExtended strand (participates in β ladder)trans-80.6143.2170.7-66.8-177.9-179.5177.30109.8R295 R296R295-K359 CarbonylContact O-C 3.53Å; R295-K359 VanDerWaalsContact O-CA 3.29Å; R295-K359 WeakPolarHBondContact O-CA 3.25Å; R296-K359 HydrophobicContact CB-CG 4.38Å
360Y95.1Very high94.8Very high13 Ų1378.3 Ų78.35%0.05137%0.366CS..PPolyproline II helixtrans-65.1137.1168.6-66.8-70.5000110.2M290 R295 K297 E364 W365 V368M290-Y360 HydrophobicContact CB-CE2 4.12Å; M290-Y360 HydrophobicContact CE-CE2 3.67Å; M290-Y360 HydrophobicContact SD-CE2 4.31Å; R295-Y360 WeakPolarHBondContact O-CD2 3.39Å; R295-Y360 PolarHBondContact O-N 3.41Å; K297-Y360 HydrophobicContact CB-CE2 3.78Å; K297-Y360 HydrophobicContact CD-CE1 4.23Å; K297-Y360 HydrophobicContact CG-CE2 4.27Å; K297-Y360 WeakPolarHBondContact CG-OH 3.45Å; Y360-E364 HydrophobicContact CD1-CB 4.49Å; Y360-E364 HydrophobicContact CD1-CG 3.74Å; Y360-E364 HydrophobicContact CE1-CG 4.39Å; Y360-W365 AromaticContact CD2-CE3 3.9Å; Y360-W365 HydrophobicContact CD2-CE3 3.9Å; Y360-W365 AromaticContact CD2-CZ3 3.95Å; Y360-W365 HydrophobicContact CD2-CZ3 3.95Å; Y360-W365 HydrophobicContact CG-CE3 4.24Å; Y360-V368 HydrophobicContact CD1-CG1 4.5Å; Y360-V368 HydrophobicContact CD1-CG2 3.83Å; Y360-V368 HydrophobicContact CD2-CG2 4.09Å; Y360-V368 HydrophobicContact CE1-CB 4.43Å; Y360-V368 HydrophobicContact CE1-CG1 4.2Å; Y360-V368 HydrophobicContact CE1-CG2 3.94Å; Y360-V368 HydrophobicContact CE2-CG2 4.21Å; Y360-V368 HydrophobicContact CG-CG2 3.88Å
361S95.4Very high95Very high57 Ų5779.7 Ų79.740%0.39937%0.373SS..PPolyproline II helixtrans-65161.2169.467.90000110.7T363 E364 W365S361-T363 PolarHBondContact O-N 3.48Å; S361-T363 PolarHBondContact OG-OG1 2.93Å; S361-T363 VanDerWaalsContact OG-OG1 3.14Å; S361-E364 PolarHBondContact O-N 3.16Å; S361-E364 VanDerWaalsContact OG-CB 3.27Å; S361-E364 WeakPolarHBondContact OG-CB 3.14Å; S361-E364 PolarHBondContact OG-N 2.82Å; S361-W365 VanDerWaalsContact O-CB 3.3Å; S361-W365 WeakPolarHBondContact O-CB 3.3Å; S361-W365 PolarHBondContact O-N 3.15Å
362D93.3Very high94.9Very high112 Ų11280.2 Ų80.260%0.59938%0.375SS*.Hα-helixtrans-58.1-37177.4-70.7-40.3000112.9R295R295-D362 IonicContact CZ-OD1 3.57Å; R295-D362 IonicContact NH1-OD1 3.72Å; R295-D362 PolarHBondContact NH1-OD1 3.13Å
363T93.5Very high94.3Very high105 Ų10577.6 Ų77.664%0.64438%0.375SS*.Hα-helixtrans-72.2-39.3179.753.80000111.6S361S361-T363 PolarHBondContact O-N 3.48Å; S361-T363 PolarHBondContact OG-OG1 2.93Å; S361-T363 VanDerWaalsContact OG-OG1 3.14Å
364E94.6Very high92.7Very high53 Ų5380.8 Ų80.825%0.24839%0.392CS..Hα-helixtrans-71.8-40.3176.4-173.3166.2-151.500111.8K257 Y360 S361 K366 R367 V368K257-E364 IonicContact NZ-OE1 2.66Å; K257-E364 PolarHBondContact NZ-OE1 2.82Å; Y360-E364 HydrophobicContact CD1-CB 4.49Å; Y360-E364 HydrophobicContact CD1-CG 3.74Å; Y360-E364 HydrophobicContact CE1-CG 4.39Å; S361-E364 PolarHBondContact O-N 3.16Å; S361-E364 VanDerWaalsContact OG-CB 3.27Å; S361-E364 WeakPolarHBondContact OG-CB 3.14Å; S361-E364 PolarHBondContact OG-N 2.82Å; E364-K366 VanDerWaalsContact C-N 3.27Å; E364-K366 PolarHBondContact O-N 3.35Å; E364-R367 WeakPolarHBondContact O-CA 3.35Å; E364-R367 WeakPolarHBondContact O-CB 3.26Å; E364-R367 PolarHBondContact O-N 2.94Å; E364-V368 HydrophobicContact CG-CG1 3.78Å; E364-V368 HydrophobicContact CG-CG2 4.44Å; E364-V368 WeakPolarHBondContact O-CG2 3.3Å; E364-V368 PolarHBondContact O-N 2.98Å
365W94.7Very high90.8Very high30 Ų3083 Ų8311%0.11440%0.401CS..Hα-helixtrans-52-44.7-179-176.1-110000112.5M290 P292 R295 Y360 S361 R367 V368 F369M290-W365 HydrophobicContact SD-CH2 3.8Å; M290-W365 HydrophobicContact SD-CZ3 3.58Å; M290-W365 VanDerWaalsContact SD-CZ3 3.58Å; P292-W365 HydrophobicContact CB-CH2 3.96Å; P292-W365 HydrophobicContact CB-CZ2 4.25Å; R295-W365 HydrophobicContact CB-CD2 4.12Å; R295-W365 HydrophobicContact CB-CE3 3.77Å; R295-W365 HydrophobicContact CB-CZ3 4.03Å; R295-W365 HydrophobicContact CG-CD2 3.66Å; R295-W365 HydrophobicContact CG-CE3 3.81Å; R295-W365 HydrophobicContact CG-CG 4.22Å; R295-W365 HydrophobicContact CG-CH2 4.28Å; R295-W365 HydrophobicContact CG-CZ2 4.09Å; R295-W365 HydrophobicContact CG-CZ3 4.12Å; Y360-W365 AromaticContact CD2-CE3 3.9Å; Y360-W365 HydrophobicContact CD2-CE3 3.9Å; Y360-W365 AromaticContact CD2-CZ3 3.95Å; Y360-W365 HydrophobicContact CD2-CZ3 3.95Å; Y360-W365 HydrophobicContact CG-CE3 4.24Å; S361-W365 VanDerWaalsContact O-CB 3.3Å; S361-W365 WeakPolarHBondContact O-CB 3.3Å; S361-W365 PolarHBondContact O-N 3.15Å; W365-R367 PolarHBondContact O-N 3.15Å; W365-R367 VanDerWaalsContact O-N 3.16Å; W365-V368 HydrophobicContact CE3-CG2 4.14Å; W365-V368 PolarHBondContact O-N 3.26Å; W365-F369 HydrophobicContact CD2-CB 3.96Å; W365-F369 AromaticContact CE2-CG 3.81Å; W365-F369 HydrophobicContact CE3-CB 4.14Å; W365-F369 HydrophobicContact CH2-CB 3.65Å; W365-F369 HydrophobicContact CH2-CD1 4.42Å; W365-F369 AromaticContact CH2-CD2 3.44Å; W365-F369 HydrophobicContact CH2-CD2 3.44Å; W365-F369 VanDerWaalsContact CH2-CD2 3.44Å; W365-F369 HydrophobicContact CH2-CE2 4.22Å; W365-F369 AromaticContact CH2-CG 3.58Å; W365-F369 HydrophobicContact CH2-CG 3.58Å; W365-F369 HydrophobicContact CZ2-CB 3.5Å; W365-F369 VanDerWaalsContact CZ2-CB 3.5Å; W365-F369 AromaticContact CZ2-CD1 3.68Å; W365-F369 HydrophobicContact CZ2-CD1 3.68Å; W365-F369 AromaticContact CZ2-CD2 3.53Å; W365-F369 HydrophobicContact CZ2-CD2 3.53Å; W365-F369 HydrophobicContact CZ2-CE1 4.28Å; W365-F369 HydrophobicContact CZ2-CE2 4.18Å; W365-F369 AromaticContact CZ2-CG 3.26Å; W365-F369 HydrophobicContact CZ2-CG 3.26Å; W365-F369 HydrophobicContact CZ3-CB 4.01Å; W365-F369 HydrophobicContact CZ3-CD2 4.4Å; W365-F369 HydrophobicContact CZ3-CG 4.41Å; W365-F369 WeakPolarHBondContact O-CB 3.45Å; W365-F369 PolarHBondContact O-N 3.29Å
366K92.3Very high88.7Confident172 Ų17284.2 Ų84.275%0.74841%0.407SS*.Hα-helixtrans-61.1-23.7177.4-67.2180-177-179.60113.7E364E364-K366 VanDerWaalsContact C-N 3.27Å; E364-K366 PolarHBondContact O-N 3.35Å
367R93.1Very high86.4Confident189 Ų18987.9 Ų87.971%0.71342%0.422SS*.Hα-helixtrans-93-35.2-179.4-60.9179.3-179.5179.9-0.2112E364 W365 Q370E364-R367 WeakPolarHBondContact O-CA 3.35Å; E364-R367 WeakPolarHBondContact O-CB 3.26Å; E364-R367 PolarHBondContact O-N 2.94Å; W365-R367 PolarHBondContact O-N 3.15Å; W365-R367 VanDerWaalsContact O-N 3.16Å; R367-Q370 PolarHBondContact O-NE2 2.59Å
368V96.3Very high83.8Confident1 Ų194.6 Ų94.61%0.00645%0.451CS..Hα-helixtrans-95-10.5-174.6-56.90000114.2L255 G256 K257 M290 Y360 E364 W365L255-V368 CarbonylContact C-O 3.54Å; L255-V368 VanDerWaalsContact CA-O 3.24Å; L255-V368 WeakPolarHBondContact CA-O 3.12Å; G256-V368 PolarHBondContact N-O 2.86Å; G256-V368 WeakPolarHBondContact O-CA 3.49Å; K257-V368 HydrophobicContact CD-CG1 4.3Å; K257-V368 HydrophobicContact CG-CG1 4.34Å; M290-V368 HydrophobicContact CE-CB 4.37Å; M290-V368 HydrophobicContact CE-CG2 4.26Å; Y360-V368 HydrophobicContact CD1-CG1 4.5Å; Y360-V368 HydrophobicContact CD1-CG2 3.83Å; Y360-V368 HydrophobicContact CD2-CG2 4.09Å; Y360-V368 HydrophobicContact CE1-CB 4.43Å; Y360-V368 HydrophobicContact CE1-CG1 4.2Å; Y360-V368 HydrophobicContact CE1-CG2 3.94Å; Y360-V368 HydrophobicContact CE2-CG2 4.21Å; Y360-V368 HydrophobicContact CG-CG2 3.88Å; E364-V368 HydrophobicContact CG-CG1 3.78Å; E364-V368 HydrophobicContact CG-CG2 4.44Å; E364-V368 WeakPolarHBondContact O-CG2 3.3Å; E364-V368 PolarHBondContact O-N 2.98Å; W365-V368 HydrophobicContact CE3-CG2 4.14Å; W365-V368 PolarHBondContact O-N 3.26Å
369F96.4Very high81Confident51 Ų5197.4 Ų97.422%0.22446%0.462CS..EExtended strand (participates in β ladder)trans-122.599.6176.7-173.9-97.2000109.7L255 M290 P292 W365 V371L255-F369 HydrophobicContact CD2-CD2 3.41Å; L255-F369 VanDerWaalsContact CD2-CD2 3.41Å; L255-F369 HydrophobicContact CD2-CE2 3.57Å; M290-F369 HydrophobicContact SD-CD2 4.14Å; P292-F369 HydrophobicContact CB-CD2 4.29Å; P292-F369 HydrophobicContact CB-CE2 3.69Å; P292-F369 HydrophobicContact CB-CZ 4.2Å; P292-F369 HydrophobicContact CG-CD2 4.42Å; P292-F369 HydrophobicContact CG-CE2 3.8Å; W365-F369 HydrophobicContact CD2-CB 3.96Å; W365-F369 AromaticContact CE2-CG 3.81Å; W365-F369 HydrophobicContact CE3-CB 4.14Å; W365-F369 HydrophobicContact CH2-CB 3.65Å; W365-F369 HydrophobicContact CH2-CD1 4.42Å; W365-F369 AromaticContact CH2-CD2 3.44Å; W365-F369 HydrophobicContact CH2-CD2 3.44Å; W365-F369 VanDerWaalsContact CH2-CD2 3.44Å; W365-F369 HydrophobicContact CH2-CE2 4.22Å; W365-F369 AromaticContact CH2-CG 3.58Å; W365-F369 HydrophobicContact CH2-CG 3.58Å; W365-F369 HydrophobicContact CZ2-CB 3.5Å; W365-F369 VanDerWaalsContact CZ2-CB 3.5Å; W365-F369 AromaticContact CZ2-CD1 3.68Å; W365-F369 HydrophobicContact CZ2-CD1 3.68Å; W365-F369 AromaticContact CZ2-CD2 3.53Å; W365-F369 HydrophobicContact CZ2-CD2 3.53Å; W365-F369 HydrophobicContact CZ2-CE1 4.28Å; W365-F369 HydrophobicContact CZ2-CE2 4.18Å; W365-F369 AromaticContact CZ2-CG 3.26Å; W365-F369 HydrophobicContact CZ2-CG 3.26Å; W365-F369 HydrophobicContact CZ3-CB 4.01Å; W365-F369 HydrophobicContact CZ3-CD2 4.4Å; W365-F369 HydrophobicContact CZ3-CG 4.41Å; W365-F369 WeakPolarHBondContact O-CB 3.45Å; W365-F369 PolarHBondContact O-N 3.29Å; F369-V371 HydrophobicContact CD1-CG2 4.22Å; F369-V371 HydrophobicContact CE1-CG2 3.44Å; F369-V371 VanDerWaalsContact CE1-CG2 3.44Å; F369-V371 HydrophobicContact CZ-CG2 3.73Å
370Q94.9Very high78.1Confident84 Ų84103 Ų10339%0.39349%0.49SS..EExtended strand (participates in β ladder)trans-119118.6-178-60.8-179.731.600109.8W253 A254 R367 F372W253-Q370 CarbonylContact C-O 3.35Å; W253-Q370 WeakPolarHBondContact CA-O 3.24Å; W253-Q370 VanDerWaalsContact CB-O 3.26Å; W253-Q370 WeakPolarHBondContact CB-O 3.26Å; A254-Q370 HydrophobicContact CB-CB 4.43Å; A254-Q370 PolarHBondContact N-O 3.25Å; A254-Q370 PolarHBondContact O-N 2.96Å; R367-Q370 PolarHBondContact O-NE2 2.59Å; Q370-F372 HydrophobicContact CB-CE2 3.85Å; Q370-F372 HydrophobicContact CB-CZ 4.2Å
371V94Very high77.3Confident66 Ų66107.5 Ų107.540%0.451%0.512SS..EExtended strand (participates in β ladder)trans-100133.4176.1-178.40000109.3F369 L373F369-V371 HydrophobicContact CD1-CG2 4.22Å; F369-V371 HydrophobicContact CE1-CG2 3.44Å; F369-V371 VanDerWaalsContact CE1-CG2 3.44Å; F369-V371 HydrophobicContact CZ-CG2 3.73Å; V371-L373 HydrophobicContact CG1-CD2 4.03Å; V371-L373 HydrophobicContact CG1-CG 4.19Å
372F92.1Very high76.3Confident32 Ų32110.2 Ų110.214%0.1452%0.518CS..  trans-108.793.4179.3-63.1-96.5000108.4I240 L251 H252 A254 Q370I240-F372 HydrophobicContact CG2-CE1 3.92Å; I240-F372 HydrophobicContact CG2-CZ 4.03Å; L251-F372 HydrophobicContact CB-CB 4.44Å; L251-F372 HydrophobicContact CB-CG 4.42Å; L251-F372 HydrophobicContact CD2-CD1 3.95Å; L251-F372 HydrophobicContact CD2-CD2 3.53Å; L251-F372 HydrophobicContact CD2-CE1 3.89Å; L251-F372 HydrophobicContact CD2-CE2 3.48Å; L251-F372 VanDerWaalsContact CD2-CE2 3.48Å; L251-F372 HydrophobicContact CD2-CG 3.78Å; L251-F372 HydrophobicContact CD2-CZ 3.67Å; L251-F372 HydrophobicContact CG-CB 4.33Å; L251-F372 HydrophobicContact CG-CD2 3.62Å; L251-F372 HydrophobicContact CG-CE2 4.03Å; L251-F372 HydrophobicContact CG-CG 3.91Å; L251-F372 VanDerWaalsContact O-CB 3.3Å; L251-F372 WeakPolarHBondContact O-CB 3.16Å; H252-F372 PolarHBondContact O-N 3.46Å; A254-F372 HydrophobicContact CB-CE2 3.8Å; A254-F372 HydrophobicContact CB-CZ 4.47Å; Q370-F372 HydrophobicContact CB-CE2 3.85Å; Q370-F372 HydrophobicContact CB-CZ 4.2Å
373L80.9Confident75.4Confident146 Ų146110.1 Ų110.176%0.76451%0.513SS*.  trans-77.2132.9176.9-64.1172.9000110.2V371 Q375V371-L373 HydrophobicContact CG1-CD2 4.03Å; V371-L373 HydrophobicContact CG1-CG 4.19Å; L373-Q375 PolarHBondContact O-N 3.38Å; L373-Q375 VanDerWaalsContact O-N 3.12Å
374N61.7Low74.3Confident89 Ų89110.4 Ų110.448%0.47651%0.505SS..  trans17.874.9168.4-74.5-17.8000117.1H376 K377N374-H376 PolarHBondContact O-N 3.05Å; N374-K377 HydrophobicContact CB-CB 4.49Å; N374-K377 HydrophobicContact CB-CG 4.39Å; N374-K377 PolarHBondContact O-N 3.12Å
375Q57.2Low73Confident72 Ų72113.9 Ų113.934%0.33652%0.521SS..THydrogen-bonded Turntrans-64.1-9.6174.4-69-178.7-24.700114.1L373L373-Q375 PolarHBondContact O-N 3.38Å; L373-Q375 VanDerWaalsContact O-N 3.12Å
376H53.4Low71.6Confident103 Ų103119.5 Ų119.548%0.47755%0.549SS..THydrogen-bonded Turntrans-101.61.2-178.1-61.8-57.1000115.7D246 N374 H378D246-H376 PolarHBondContact O-CE1 3.4Å; N374-H376 PolarHBondContact O-N 3.05Å; H376-H378 VanDerWaalsContact C-N 3.32Å; H376-H378 PolarHBondContact O-N 3.4Å
377K48.8Very low70.1Confident161 Ų161115.8 Ų115.870%0.753%0.534SS*.THydrogen-bonded Turntrans-810.8179.3-91.2-164.9175.8-170.10115.7N374N374-K377 HydrophobicContact CB-CB 4.49Å; N374-K377 HydrophobicContact CB-CG 4.39Å; N374-K377 PolarHBondContact O-N 3.12Å
378H40.4Very low68.3Low180 Ų180110.2 Ų110.283%0.83352%0.521SS*.THydrogen-bonded Turntrans-11332.4179.4-70.3-60000114.6H376H376-H378 VanDerWaalsContact C-N 3.32Å; H376-H378 PolarHBondContact O-N 3.4Å
379K36.7Very low66Low181 Ų181119.3 Ų119.379%0.78756%0.563SS**  trans-120.968.9164-73.7-170.2177.8-177.40110.6
380H35.8Very low63.2Low266 Ų266125.5 Ų125.5100%1.23159%0.594SS**  trans-135.40151-78.7-54.7000107.7

Retrieved 380 of 380 residues in 693.9 ms (Link to these results)

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