A0A096NMG3_PAPAN Loading...

Protein inhibitor of activated STAT 1

AlphaFold DB (O75925), UniProt , Accession A0A096NMG3, Species PAPAN (Papio anubis, Olive baboon), Gene PIAS1, Length 651 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
1M46.4Very low80.2Confident230 Ų23081.8 Ų81.8100%1.13345%0.454SS*.  0-28.10-68.8-155-161.400114D3 S4M1-D3 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-N 3.2Å
2A42.7Very low81.3Confident77 Ų7782.3 Ų82.364%0.63645%0.452SS*.Hα-helixtrans-53.4-48.9-173.700000115S4 A5 E6A2-S4 PolarHBondContact O-N 2.82Å; A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A2-E6 PolarHBondContact O-N 3.08Å
3D71.2Confident82.3Confident89 Ų8977.8 Ų77.848%0.47643%0.431SS..Hα-helixtrans-54.9-31.8-174-62.237.6000114.5M1 E6 L7M1-D3 PolarHBondContact O-N 3.36Å; D3-E6 PolarHBondContact O-N 3.02Å; D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å
4S81.2Confident83.2Confident76 Ų7672.3 Ų72.353%0.53140%0.4SS..Hα-helixtrans-68.6-36.1-178.5-173.30000112.3M1 A2 K8M1-S4 PolarHBondContact O-N 3.2Å; A2-S4 PolarHBondContact O-N 2.82Å; S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å
5A84.8Confident83.9Confident69 Ų6976.2 Ų76.257%0.5741%0.406SS*.Hα-helixtrans-71.2-40.9176.600000111.5A2 K8 Q9A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A5-K8 PolarHBondContact O-N 2.76Å; A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å
6E89.5Confident84.6Confident98 Ų9875.1 Ų75.146%0.45840%0.403SS..Hα-helixtrans-64.1-50.3177.1-164.4-162.8-178.800111.3A2 D3 K8 Q9 M10A2-E6 PolarHBondContact O-N 3.08Å; D3-E6 PolarHBondContact O-N 3.02Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å
7L91.7Very high85.1Confident5 Ų574.6 Ų74.63%0.02641%0.407CS..Hα-helixtrans-59.2-38.4177-73.9170.4000112.2D3 M10 V11 L45 Q54 I57 K58D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; L7-K58 HydrophobicContact CD2-CG 4.23Å
8K92.3Very high85.6Confident115 Ų11571.9 Ų71.950%0.539%0.391SS..Hα-helixtrans-60.4-45.6174.2179.2178-180-167.10111.3S4 A5 E6 V11 M12 L42 L45S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å; A5-K8 PolarHBondContact O-N 2.76Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; K8-V11 PolarHBondContact O-N 3.49Å; K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; K8-L42 HydrophobicContact CG-CD2 3.83Å; K8-L45 HydrophobicContact CB-CD1 4.31Å
9Q92.5Very high86.2Confident124 Ų12468.1 Ų68.158%0.57937%0.37SS*.Hα-helixtrans-64.8-41.2177.2-173.865.6-0.800111.9A5 E6 M12 S13A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; Q9-M12 PolarHBondContact O-N 2.9Å; Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å
10M94.6Very high86.6Confident17 Ų1768.1 Ų68.18%0.08437%0.367CS..Hα-helixtrans-58.3-50.3174.3-69.2-176.4177.200111.6E6 L7 M12 S13 I57 K58 Y61E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; M10-M12 PolarHBondContact O-N 2.94Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å
11V95.1Very high87Confident0 Ų068.4 Ų68.40%037%0.371CS..Hα-helixtrans-62-41.7178.3168.30000112L7 K8 S13 L14 L19 L22 L38 A41 L42 L45 I57L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; K8-V11 PolarHBondContact O-N 3.49Å; V11-S13 PolarHBondContact O-N 2.9Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; V11-L19 HydrophobicContact CG1-CD2 4.18Å; V11-L22 HydrophobicContact CG2-CD2 4.15Å; V11-L38 HydrophobicContact CG1-CD1 3.79Å; V11-A41 HydrophobicContact CG1-CB 3.7Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å
12M94.1Very high89.3Confident87 Ų8757.4 Ų57.443%0.42932%0.317SS..Hα-helixtrans-61.9-26.1176.3-75.9175.959.900113.4K8 Q9 M10 L38 L42K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; Q9-M12 PolarHBondContact O-N 2.9Å; M10-M12 PolarHBondContact O-N 2.94Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å
13S93.8Very high91.8Very high25 Ų2553.8 Ų53.818%0.17529%0.287CS..Hα-helixtrans-71.7-32.5176.187.30000112.9Q9 M10 V11 Y61 R64Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; V11-S13 PolarHBondContact O-N 2.9Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å
14L94.3Very high92.8Very high0 Ų051.5 Ų51.50%029%0.285CS..  trans-61.2150.2-163.6-62.4-178.9000114.3V11 E18 L19 L22 K34 L60V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å
15R94.6Very high93.3Very high131 Ų13151.8 Ų51.849%0.49428%0.275SS..  trans-77.1167.1170.8-59.9-173.6-178.897.4-11.4111.2S17 E18 L19R15-S17 PolarHBondContact O-N 2.9Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å
16V94.2Very high93.6Very high59 Ų5949.9 Ų49.936%0.35826%0.259SS..Hα-helixtrans-53.8-52.3176.4171.80000111.5E18 L19 Q20 K34 L37V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.05Å; V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; V16-L37 HydrophobicContact CG1-CD1 3.81Å
17S93.5Very high93.7Very high66 Ų6648.6 Ų48.646%0.46227%0.272SS..Hα-helixtrans-58.5-40.9178.848.20000113.3R15 Q20 V21R15-S17 PolarHBondContact O-N 2.9Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å
18E94.8Very high93.6Very high26 Ų2656 Ų5612%0.12130%0.3CS..Hα-helixtrans-68.1-40.9178.5-64.6151.9-158.500111.3L14 R15 V16 Q20 V21 L22 L60 R64L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; E18-V21 PolarHBondContact O-N 3.01Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å
19L96.2Very high93.5Very high0 Ų055.1 Ų55.10%030%0.301CS..Hα-helixtrans-64.2-36.4172.3-69.8166.6000112.1V11 L14 R15 V16 L22 L23 K34 L37 L38 A41V11-L19 HydrophobicContact CG1-CD2 4.18Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å; V16-L19 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 3.17Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; L19-A41 HydrophobicContact CD2-CB 3.86Å
20Q95.1Very high93.5Very high67 Ų6754.5 Ų54.531%0.31330%0.296SS..Hα-helixtrans-66.7-40.5175.3-69.9-179.9-44.500112.2V16 S17 E18 G24 K30 L37V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; Q20-G24 PolarHBondContact O-N 2.98Å; Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å
21V94.1Very high93.3Very high75 Ų7559 Ų5946%0.45532%0.317SS..Hα-helixtrans-62.9-45.8172.9170.10000110.6S17 E18 G24 Y25 L60S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å; E18-V21 PolarHBondContact O-N 3.01Å; V21-G24 PolarHBondContact O-N 3.23Å; V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å
22L94.7Very high93.1Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-60.7-47.2177.8179.761.9000112.5V11 L14 E18 L19 Y25 A26 A41 V53 K56 I57 L60V11-L22 HydrophobicContact CG2-CD2 4.15Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; L19-L22 PolarHBondContact O-N 3.17Å; L22-Y25 PolarHBondContact O-N 2.73Å; L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L22-V53 HydrophobicContact CD1-CG1 3.67Å; L22-K56 HydrophobicContact CD1-CB 4.42Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å
23L94.8Very high93.1Very high0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-68.2-39.8179.4-71.8167.5000111.8L19 A26 G27 R28 L37 K40L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 2.98Å; L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å
24G92.7Very high93.1Very high41 Ų4169.7 Ų69.742%0.42336%0.362SS..Hα-helixtrans-62.1-43.817400000112.6Q20 V21 A26 G27Q20-G24 PolarHBondContact O-N 2.98Å; V21-G24 PolarHBondContact O-N 3.23Å; G24-A26 PolarHBondContact O-N 2.92Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å
25Y92.2Very high93.2Very high82 Ų8276.3 Ų76.332%0.32239%0.392SS..Hα-helixtrans-60.2-33.9174.2-177.7-95.7000112.4V21 L22 G27 A52 V53 K56 S208V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; L22-Y25 PolarHBondContact O-N 2.73Å; Y25-G27 VanDerWaalsContact C-N 3.35Å; Y25-A52 HydrophobicContact CE1-CB 4.38Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; Y25-S208 PolarHBondContact OH-O 2.94Å
26A90.9Very high93.2Very high29 Ų2973.9 Ų73.924%0.2439%0.387CS..THydrogen-bonded Turntrans-87.49176.200000115L22 L23 G24 R28 L44 V53L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; G24-A26 PolarHBondContact O-N 2.92Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; A26-L44 HydrophobicContact CB-CD1 3.28Å; A26-V53 HydrophobicContact CB-CG2 4.22Å
27G90.5Very high93.3Very high72 Ų7271 Ų7174%0.74237%0.37SS*.THydrogen-bonded Turntrans65.922.2-178.900000114.8L23 G24 Y25L23-G27 PolarHBondContact O-N 2.98Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å; Y25-G27 VanDerWaalsContact C-N 3.35Å
28R89.4Confident93.4Very high159 Ų15969.3 Ų69.360%0.636%0.355SS*.  trans-103.4158.7-179.6-62.4-63.4-171.9157.81.6111.7L23 A26 K30L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; R28-K30 PolarHBondContact O-N 2.76Å
29N90.4Very high93.4Very high98 Ų9871.3 Ų71.352%0.52437%0.369SS..  trans-62.6118.3179.8-176.9-9.8000112H31N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å
30K92.9Very high93.3Very high110 Ų11074.8 Ų74.848%0.47838%0.384SS..  trans-82.75.2-177.967.6-177.2179.5-177.80115.7Q20 R28Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; R28-K30 PolarHBondContact O-N 2.76Å
31H91.6Very high93.2Very high113 Ų11371.6 Ų71.652%0.52337%0.369SS..  trans-102.1148.5-178.7-52100.4000112.1N29 K40N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å; H31-K40 PolarHBondContact O-NZ 3.29Å
32G90.8Very high93.2Very high34 Ų3470 Ų7035%0.35136%0.358SS..SBendtrans137.5170.2177.400000113.9E36 L37G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å
33R93.5Very high93Very high200 Ų20076 Ų7676%0.75539%0.386SS*.  trans-70.1164172.9-60.4176.9179-175.91.7110.9H35 E36 L37R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; R33-L37 PolarHBondContact O-N 2.89Å
34K94.7Very high92.7Very high101 Ų10177 Ų7744%0.43939%0.391SS..Hα-helixtrans-50.6-43.7-179.1-171.4-176.7177.1-174.40112.6L14 V16 L19 L38L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å
35H95.1Very high92.5Very high139 Ų13976.1 Ų76.164%0.64438%0.376SS*.Hα-helixtrans-64.7-42.4178.8179.872.2000112.6R33 L38 T39R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; H35-L38 PolarHBondContact O-N 2.87Å; H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å
36E94.6Very high92Very high80 Ų8080.8 Ų80.837%0.37440%0.398SS..Hα-helixtrans-65-45.3177.6-64.2153-138.300111.8G32 R33 L38 T39 K40G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; E36-T39 PolarHBondContact O-N 2.85Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å
37L96.4Very high91.3Very high0 Ų082.9 Ų82.90%042%0.416CS..Hα-helixtrans-63.1-40.7176.2-64.4171.6000111.3V16 L19 Q20 L23 G32 R33 K40 A41V16-L37 HydrophobicContact CG1-CD1 3.81Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å; R33-L37 PolarHBondContact O-N 2.89Å; L37-K40 PolarHBondContact O-N 3.44Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å
38L95.9Very high90.4Very high30 Ų3082.7 Ų82.716%0.15741%0.413CS..Hα-helixtrans-63.6-46.2175.2-179.465.2000111.1V11 M12 L19 K34 H35 E36 K40 A41 L42V11-L38 HydrophobicContact CG1-CD1 3.79Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å; H35-L38 PolarHBondContact O-N 2.87Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å
39T94.8Very high89.8Confident67 Ų6775.9 Ų75.941%0.41139%0.39SS..Hα-helixtrans-60.1-43.3176.3-67.20000111.4H35 E36 A41 L42 H43H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å; E36-T39 PolarHBondContact O-N 2.85Å; T39-A41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 2.84Å; T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å
40K94.1Very high89.6Confident74 Ų7474 Ų7432%0.32238%0.384SS..Hα-helixtrans-59.5-45.4173.3-69.7166.8-174.3-178.80112L23 H31 E36 L37 L38 H43 L44L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å; H31-K40 PolarHBondContact O-NZ 3.29Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å; L37-K40 PolarHBondContact O-N 3.44Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; K40-H43 PolarHBondContact O-N 2.73Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å
41A94Very high89.2Confident0 Ų073.4 Ų73.40%039%0.392CS..Hα-helixtrans-68.8-35.8179.200000113.2V11 L19 L22 L37 L38 T39 L44 L45V11-A41 HydrophobicContact CG1-CB 3.7Å; L19-A41 HydrophobicContact CD2-CB 3.86Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å; L38-A41 PolarHBondContact O-N 2.94Å; T39-A41 PolarHBondContact O-N 2.85Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; A41-L45 PolarHBondContact O-N 3.36Å
42L93.7Very high89Confident40 Ų4070.1 Ų70.121%0.20938%0.384CS..Hα-helixtrans-71.6-32.8173.6-69.7-179.6000112.3K8 V11 M12 L38 T39 L44 L45 K46K8-L42 HydrophobicContact CG-CD2 3.83Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å; T39-L42 PolarHBondContact O-N 2.84Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å
43H90.9Very high89Confident127 Ų12769 Ų6959%0.58837%0.371SS*.Hα-helixtrans-65.5-37.8172.8-143.4120.4000111.2T39 K40 L45 K46 A47T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å; K40-H43 PolarHBondContact O-N 2.73Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å
44L88.5Confident88.9Confident20 Ų2062.2 Ų62.211%0.10535%0.348CS..Hα-helixtrans-60.7-35.2173.2178.2150.2000112.6A26 K40 A41 L42 C49 V53A26-L44 HydrophobicContact CB-CD1 3.28Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å
45L87.7Confident88.7Confident23 Ų2362.3 Ų62.312%0.1235%0.351CS..Hα-helixtrans-67.9-40.9172.4-71.3179.2000112.5L7 K8 V11 A41 L42 H43 C49 I57L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; K8-L45 HydrophobicContact CB-CD1 4.31Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; A41-L45 PolarHBondContact O-N 3.36Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å
46K82.3Confident88.5Confident181 Ų18156 Ų5679%0.78732%0.322SS*.Hα-helixtrans-66.9-35178.3-72.1-173.7175.4-172.30113.5L42 H43 G48L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; K46-G48 PolarHBondContact O-N 2.94Å
47A75.2Confident88.5Confident73 Ų7352.2 Ų52.260%0.60330%0.304SS*.THydrogen-bonded Turntrans-81.412.5-173.600000115H43H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å
48G70.9Confident88.2Confident67 Ų6755.2 Ų55.269%0.69132%0.317SS*.THydrogen-bonded Turntrans84.174-174.300000112.3K46 S50K46-G48 PolarHBondContact O-N 2.94Å; G48-S50 PolarHBondContact O-N 2.68Å
49C78.2Confident88Confident16 Ų1654.2 Ų54.211%0.10831%0.311CS..  trans-64.1123.1179-179.80000112.1L44 L45 Q54L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å
50S85Confident87.9Confident58 Ų5851.4 Ų51.441%0.40629%0.294SS..  trans-64.3150.5178.872.50000111.9G48 A52 V53 Q54G48-S50 PolarHBondContact O-N 2.68Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å
51P85.7Confident87.9Confident98 Ų9851.5 Ų51.564%0.63629%0.293SS*.Hα-helixtrans-54.1-36.2-178.7-28.235.6000113.6V53 Q54 M55P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; P51-Q54 PolarHBondContact O-N 3Å; P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å
52A86.6Confident87.7Confident44 Ų4458 Ų5836%0.36432%0.317SS..Hα-helixtrans-59.8-41175.600000112.8Y25 S50 M55 K56Y25-A52 HydrophobicContact CE1-CB 4.38Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; A52-M55 PolarHBondContact O-N 3.02Å; A52-K56 PolarHBondContact O-N 3.48Å
53V91.2Very high87.4Confident11 Ų1161.6 Ų61.67%0.06733%0.328CS..Hα-helixtrans-77-34178.6-175.70000111.3L22 Y25 A26 L44 S50 P51 M55 K56 I57L22-V53 HydrophobicContact CD1-CG1 3.67Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; A26-V53 HydrophobicContact CB-CG2 4.22Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; V53-K56 PolarHBondContact O-N 3.26Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å
54Q91.4Very high87Confident58 Ų5858.8 Ų58.827%0.27131%0.312SS..Hα-helixtrans-59.9-42.7170.4-58.7-177.325.800111.5L7 C49 S50 P51 I57 K58L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å; P51-Q54 PolarHBondContact O-N 3Å; Q54-I57 PolarHBondContact O-N 2.67Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å
55M90Very high86.9Confident103 Ų10362.3 Ų62.351%0.50733%0.327SS..Hα-helixtrans-61.8-42.3173.4-72.2-67.2-7900111.7P51 A52 V53 I57 K58 E59P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å; A52-M55 PolarHBondContact O-N 3.02Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; M55-K58 PolarHBondContact O-N 3.33Å; M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å
56K92Very high86.2Confident7 Ų765.9 Ų65.93%0.0335%0.351CS..Hα-helixtrans-65.5-34.1176.8-158.260.2167.8179.20112.9L22 Y25 A52 V53 E59 L60 E206 S208L22-K56 HydrophobicContact CD1-CB 4.42Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; A52-K56 PolarHBondContact O-N 3.48Å; V53-K56 PolarHBondContact O-N 3.26Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; K56-S208 PolarHBondContact NZ-OG 3.35Å
57I93.3Very high85.2Confident0 Ų065.8 Ų65.80%035%0.354CS..Hα-helixtrans-62.4-50.8171.8-67.6165.3000110.6L7 M10 V11 L22 L45 V53 Q54 M55 E59 L60 Y61L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å; Q54-I57 PolarHBondContact O-N 2.67Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 2.97Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å
58K91.6Very high83.6Confident63 Ų6371.9 Ų71.927%0.27437%0.367SS..Hα-helixtrans-60.8-37.7178.3-71.8-178.5175-176.20111.7L7 M10 Q54 M55 R62L7-K58 HydrophobicContact CD2-CG 4.23Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å; M55-K58 PolarHBondContact O-N 3.33Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å
59E90.9Very high82.2Confident8 Ų876.1 Ų76.14%0.03737%0.372CS..Hα-helixtrans-64.3-51.2175.1-168.7-160.112800112.6M55 K56 I57 Y61 R62 R63 S208M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; E59-R62 PolarHBondContact O-N 3.28Å; E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å
60L92.3Very high80.1Confident9 Ų982.5 Ų82.55%0.04740%0.402CS..Hα-helixtrans-61.8-39.3178.2-71.1170.4000111.7L14 E18 V21 L22 K56 I57 R64L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; I57-L60 PolarHBondContact O-N 2.97Å; L60-R64 PolarHBondContact O-N 2.67Å
61Y93.5Very high77.7Confident75 Ų7584.1 Ų84.129%0.29441%0.409SS..Hα-helixtrans-63.6-46.8175-170.8-98000112M10 S13 I57 E59 R63 R64 F65M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; Y61-R63 PolarHBondContact O-N 2.91Å; Y61-R64 PolarHBondContact O-N 2.87Å; Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å
62R90.5Very high75.3Confident138 Ų13886.2 Ų86.252%0.52142%0.423SS..Hα-helixtrans-63.3-37.4178.1-165.3-167.1-53.2111.50.3112.8K58 E59 R64 F65K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å; E59-R62 PolarHBondContact O-N 3.28Å; R62-R64 PolarHBondContact O-N 2.83Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å
63R86.6Confident73.1Confident114 Ų11487.5 Ų87.543%0.4343%0.434SS..Hα-helixtrans-60.8-34.1172.5-73.5-179.2-171.5-149.6-1.7112.4E59 Y61 E206E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; Y61-R63 PolarHBondContact O-N 2.91Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å
64R84Confident70.7Confident69 Ų6993.2 Ų93.226%0.2646%0.464SS..Hα-helixtrans-84.7-33.8-177.9-174.6161.2-174.2-103.26.1113.4S13 E18 L60 Y61 R62S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å; L60-R64 PolarHBondContact O-N 2.67Å; Y61-R64 PolarHBondContact O-N 2.87Å; R62-R64 PolarHBondContact O-N 2.83Å
65F85.5Confident68.1Low93 Ų9398.2 Ų98.241%0.40849%0.492SS..SBendtrans-127.878.1177.5-56.3-72.5000110Y61 R62 Q67Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å; F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å
66P74.3Confident65.5Low98 Ų9898.6 Ų98.664%0.63650%0.504SS*.  trans-62.4116.3171.7-17.331.1000108.5K68P66-K68 PolarHBondContact O-N 3.37Å
67Q60.4Low63.2Low180 Ų180106.2 Ų106.284%0.84154%0.544SS*.  trans-65.8121.6168.5-75.3-174.1-22.900108F65 I69F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å; Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å
68K40.8Very low60.3Low200 Ų200111.9 Ų111.987%0.8758%0.581SS**  trans-61.1112.3163.2-83.3-172172.8-173.20107.1P66 M70P66-K68 PolarHBondContact O-N 3.37Å; K68-M70 PolarHBondContact O-N 2.78Å
69I43.1Very low57.7Low157 Ų157116.4 Ų116.481%0.80561%0.608SS**  trans-67.5103.7165-63173.7000105.8Q67 T71Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å; I69-T71 PolarHBondContact O-N 2.84Å
70M32.4Very low55.2Low150 Ų150121.6 Ų121.674%0.73964%0.64SS**  trans-68.7115.4165.8-75.5168.96100107.4K68K68-M70 PolarHBondContact O-N 2.78Å
71T35Very low52.5Low91 Ų91129.2 Ų129.256%0.55868%0.675SS**  trans-65.4139.5167.140.60000109.4I69 A73I69-T71 PolarHBondContact O-N 2.84Å; T71-A73 PolarHBondContact O-N 2.9Å
72P35.1Very low49.8Very low142 Ų142131 Ų13192%0.92270%0.698SS**THydrogen-bonded Turntrans-76.358.8-177.932.3-36.4000112.4
73A42.2Very low47.4Very low72 Ų72129.7 Ų129.760%0.59571%0.71SS**THydrogen-bonded Turntrans-123.7-22.8178.700000113.2T71 L75T71-A73 PolarHBondContact O-N 2.9Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å
74D40.5Very low45Very low131 Ų131129.4 Ų129.470%0.70172%0.723SS**SBendtrans-90.422.2-174.8-64.2-38.9000114.3
75L36.3Very low43.1Very low163 Ų163134.5 Ų134.585%0.85375%0.752SS**  trans-116.165.2176.8-70179.7000111.8A73A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å
76S36.1Very low40.8Very low110 Ų110135.2 Ų135.277%0.76977%0.766SS**  trans-142.4125.8158.552.30000110.5
77I42.2Very low39.2Very low167 Ų167134.7 Ų134.786%0.85677%0.77SS**  trans-83.9135.7-171.2-62.7166.5000108.9
78P33.4Very low38Very low120 Ų120131.7 Ų131.778%0.77976%0.764SS**  trans-78.5135-176.631.2-34.3000111.7
79N36.9Very low37.9Very low157 Ų157129.9 Ų129.984%0.8476%0.763SS**  trans-124.4124.5165.1-164.940.8000113
80V39.1Very low37.7Very low117 Ų117127.1 Ų127.171%0.70976%0.758SS**  trans-41.6125.3-177-179.90000117.4
81H34.8Very low38.3Very low170 Ų170125.8 Ų125.879%0.78776%0.76SS**  trans24.5150.2139.1-64.3-79.5000124.7
82S37.3Very low38.5Very low111 Ų111126.4 Ų126.478%0.77677%0.769SS**  trans93.1132.5155.3-36.10000115.7
83S38.8Very low38.7Very low111 Ų111125.3 Ų125.378%0.77676%0.759SS**  cis-158.8161.3-11-82.70000108.6
84P37.7Very low39.1Very low108 Ų108129.4 Ų129.470%0.70177%0.769SS**  trans-100150.8-168.937.1-33.7000115.1
85M42.6Very low39.2Very low176 Ų176128.2 Ų128.287%0.86777%0.769SS**  trans-162.7156.4140.1-95.1-48.998.700111.2
86P38.3Very low39.4Very low109 Ų109129 Ų12971%0.70877%0.768SS**  trans-113.7-167.4-164.344.3-36.9000114.9
87A40.2Very low39.6Very low87 Ų87131 Ų13172%0.71977%0.769SS**  trans82.8144.5171.800000114.7
88T35.4Very low39.4Very low117 Ų117128.4 Ų128.472%0.71876%0.762SS**  cis-167.2154.1-3.25.20000109.7
89L39.8Very low39.9Very low161 Ų161132.9 Ų132.984%0.84377%0.765SS**  trans61.7150.5153.8-61.3161.9000117.1
90S37.3Very low40.2Very low99 Ų99131.3 Ų131.369%0.69276%0.756SS**  cis-179.3171.4-12.956.80000105.4
91P45.5Very low40.3Very low122 Ų122128.3 Ų128.379%0.79275%0.749SS**  trans-107.8-176.6-14840.6-35.6000115.2
92S39.2Very low40.7Very low105 Ų105128.8 Ų128.873%0.73475%0.751SS**  173.5160.4129.7540000115.5
93T40.4Very low41Very low119 Ų119129.1 Ų129.173%0.7375%0.75SS**  trans81.4133148.4-44.60000118.7
94I49Very low41.1Very low157 Ų157128.4 Ų128.481%0.80575%0.751SS**  cis-170.7169.5-27.5-117.3160.1000109.3
95P43.2Very low41.3Very low106 Ų106128.5 Ų128.569%0.68875%0.754SS**  trans-124.6-168.2-150.846.6-38.2000118.3
96Q41.1Very low40.9Very low181 Ų181125.8 Ų125.885%0.84675%0.753SS**  trans-134.5129155.3-77.9179.7-7900108.4
97L40.3Very low41.3Very low150 Ų150126.6 Ų126.679%0.78576%0.758SS**  71.912761.4-71172000112.7
98T37.4Very low41.2Very low114 Ų114130.6 Ų130.670%0.69977%0.766SS**  cis-162.9156.715.624.10000113.3
99Y44Very low41.3Very low214 Ų214133 Ų13384%0.83977%0.774SS**  trans58144.5151.2-100.5-126.3000119.6
100D42.7Very low41.2Very low124 Ų124130.9 Ų130.966%0.66377%0.77SS**  cis-169.9173-16.3-15734.3000107.4
101G41.5Very low41.3Very low54 Ų54132.1 Ų132.156%0.55777%0.773SS**  cis-177.3151.7-0.700000114.9
102H43.9Very low40.6Very low179 Ų179132.1 Ų132.183%0.82978%0.776SS**  trans64.5147.9160.5-68.5-63.2000125.7
103P43.5Very low40.8Very low118 Ų118135 Ų13577%0.76678%0.782SS**  trans-143.1175-14842.9-21.9000118.4
104A41.1Very low40.5Very low96 Ų96137.6 Ų137.679%0.79379%0.791SS**  trans-170.9150.715300000109.9
105S40.5Very low39.9Very low110 Ų110133.6 Ų133.677%0.76979%0.788SS**  cis-165.4143.4-2147.20000108.3
106S34Very low39.5Very low119 Ų119134.2 Ų134.283%0.83279%0.792SS**  trans-149.9124.7176.1-74.60000111.4
107P47.4Very low39.4Very low126 Ų126135.2 Ų135.282%0.81879%0.794SS**  trans-100.5112.4175.734.1-27.8000113.4
108L38.6Very low39.2Very low171 Ų171135.7 Ų135.790%0.89579%0.791SS**  33.4133.6129.4-57.5173.7000121.9
109L36.1Very low38.8Very low168 Ų168137.7 Ų137.788%0.8879%0.793SS**  trans-64.3167.3160-62.3165.2000112.6
110P37.9Very low38.6Very low116 Ų116135.7 Ų135.775%0.75380%0.796SS**  trans-140134.7132.929.6-12.3000116.8
111V40.7Very low37.9Very low125 Ų125139 Ų13976%0.75881%0.808SS**  trans64.2114.4134.9-175.60000120
112S31.2Very low37.6Very low122 Ų122144.2 Ų144.285%0.85382%0.821SS**  trans-75.5141.6159.1-52.60000111.8
113L41.8Very low37.2Very low165 Ų165141 Ų14186%0.86482%0.817SS**  trans-136.5137.8167-125157.6000110.6
114L35.4Very low36.7Very low175 Ų175144 Ų14492%0.91682%0.82SS**  trans-76.5142-166.1-135.775.8000112.7
115G36.6Very low36.3Very low72 Ų72146.7 Ų146.774%0.74282%0.82SS**  trans-171107.7169.800000112.6
116P35.2Very low35.8Very low119 Ų119147.3 Ų147.377%0.77382%0.819SS**  trans-92.1130.2-179.133.4-30.8000111.9
117K38.8Very low35.9Very low203 Ų203146.7 Ų146.788%0.88382%0.815SS**  trans-172.5124.8150.1-106.1152.9-171-178.40114.2
118H35.4Very low35.6Very low159 Ų159143.6 Ų143.674%0.73680%0.8SS**  trans62.192.6141.3-122.5-75.2000120.7
119E29.6Very low36.5Very low156 Ų156143.2 Ų143.273%0.72980%0.798SS**  44.6100.8114.3-131.2-179.6166.700119.1
120L38.1Very low37.8Very low173 Ų173137.4 Ų137.491%0.90677%0.766SS**  trans-165.6110.9132.2-109.6156.3000109.1L122L120-L122 PolarHBondContact O-N 2.83Å
121E29.3Very low39.4Very low194 Ų194135.1 Ų135.191%0.90775%0.752SS**  trans-67.7122.4-177.9-66.5-177.2116.400111.5
122L34.4Very low40.9Very low162 Ų162132.6 Ų132.685%0.84874%0.737SS**  trans-109.8116.8164.4-160.777.6000107.5L120 H124L120-L122 PolarHBondContact O-N 2.83Å; L122-H124 PolarHBondContact O-N 2.9Å
123P36.1Very low42.9Very low112 Ų112130.4 Ų130.473%0.72771%0.713SS**  trans-64.5124.3-175.925-32.8000109.8L125P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å
124H33.1Very low44.3Very low180 Ų180127.3 Ų127.383%0.83370%0.702SS**  trans-52.9119172.1-92.9-41.2000109.5L122 T126L122-H124 PolarHBondContact O-N 2.9Å; H124-T126 PolarHBondContact O-N 2.64Å
125L32.6Very low46.6Very low154 Ų154124.5 Ų124.581%0.80669%0.688SS**  trans-67.678.9163.8-74.9169.7000108.6P123 S127P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å; L125-S127 PolarHBondContact O-N 3.16Å
126T30.1Very low49.2Very low122 Ų122121.3 Ų121.375%0.74865%0.654SS**  trans-58.5111.4154.544.90000106H124 A128H124-T126 PolarHBondContact O-N 2.64Å; T126-A128 PolarHBondContact O-N 3.36Å
127S35.3Very low51.9Low106 Ų106122.4 Ų122.474%0.74165%0.647SS**  trans-6883.5173-167.60000107.3L125 L129L125-S127 PolarHBondContact O-N 3.16Å; S127-L129 PolarHBondContact O-N 3.14Å
128A42.2Very low54.6Low61 Ų61113.6 Ų113.650%0.50461%0.609SS.*  trans-56109.9169.300000105.8T126 H130T126-A128 PolarHBondContact O-N 3.36Å; A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å
129L56Low57.4Low163 Ų163109.6 Ų109.685%0.85359%0.591SS**  trans-66.887-178.6-71.1169.6000107.9S127S127-L129 PolarHBondContact O-N 3.14Å
130H65.2Low60.6Low46 Ų46110.6 Ų110.621%0.21359%0.593CS.*  trans-52.1130.6175.4-63.7104.8000108.2A128 V132 T154 T167 C168 F169A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å; H130-V132 PolarHBondContact O-N 2.8Å; H130-T154 HydrophobicContact CB-CG2 3.36Å; H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å
131P71.2Confident63.4Low68 Ų68104.1 Ų104.144%0.44256%0.559SS.*  trans-63.1108.1-172.821.4-30.1000109.6S155P131-S155 PolarHBondContact O-N 2.94Å
132V71Confident66.6Low73 Ų7395.8 Ų95.844%0.44252%0.522SS..BIsolated β-bridgetrans-69.3126.9169.9-178.40000106.9H130 P134 K152H130-V132 PolarHBondContact O-N 2.8Å; V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å; V132-K152 HydrophobicContact CG1-CB 3.9Å
133H73.4Confident69.6Low76 Ų7688.8 Ų88.835%0.35248%0.484SS..  trans-107.890.8178.9-76.6-52.6000108.9D135 I136 P153H133-D135 PolarHBondContact O-N 3.25Å; H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; H133-P153 PolarHBondContact N-O 2.82Å
134P70.5Confident72.6Confident100 Ų10086.2 Ų86.265%0.64946%0.461SS*.THydrogen-bonded Turntrans-62.9-17.8-173.726.7-36.3000113.9V132V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å
135D84Confident75.7Confident116 Ų11680 Ų8062%0.6243%0.433SS*.THydrogen-bonded Turntrans-79.8-19.9178-61-31000113.6H133 K137 T207H133-D135 PolarHBondContact O-N 3.25Å; D135-K137 PolarHBondContact O-N 3.44Å; D135-T207 HydrophobicContact CB-CG2 3.72Å
136I90.9Very high78.8Confident5 Ų577.3 Ų77.33%0.02642%0.419CS..  trans-75.2127.1178.1-62.3175.1000108.2H133 P153 T207 S279H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; I136-S279 WeakPolarHBondContact CD1-OG 3.31Å
137K92.7Very high82Confident142 Ų14275 Ų7562%0.61740%0.402SS*.  trans-126133.4175.7-63179.7-177.3178.30108.2D135 P210 Q211D135-K137 PolarHBondContact O-N 3.44Å; K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; K137-Q211 PolarHBondContact O-N 2.98Å
138L95.1Very high85Confident17 Ų1773.2 Ų73.29%0.08938%0.384CS..BIsolated β-bridgetrans-85150.4170.7-73.287.8000110P153 R201 C203 Q211 A281 Y283L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; L138-A281 HydrophobicContact CD1-CB 4.09Å; L138-Y283 HydrophobicContact CD1-CE2 4.45Å
139Q94.8Very high87.5Confident75 Ų7574 Ų7435%0.3538%0.377SS..PPolyproline II helixtrans-63.1136.8173.7-170.3178.91000109.7R201 P210 Q211Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q139-P210 HydrophobicContact CB-CB 4.43Å; Q139-Q211 PolarHBondContact N-O 2.97Å
140K95.7Very high89.5Confident177 Ų17767.6 Ų67.677%0.7734%0.344SS*.PPolyproline II helixtrans-62.7141.7174.6-63.9-171.9177.7-172.10109.9
141L97.2Very high91Very high38 Ų3866.3 Ų66.320%0.19934%0.338CS..  trans-106.2118.6178.2-63.1173.1000108F143 Y144 P249L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å
142P97.4Very high92.1Very high19 Ų1968.8 Ų68.812%0.12334%0.342CS..THydrogen-bonded Turntrans-57.9-34-171.2-3036.9000114.7Y144 L293 W372 Y383P142-Y144 PolarHBondContact O-N 2.77Å; P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å
143F97.8Very high93.3Very high15 Ų1565.7 Ų65.77%0.06632%0.323CS..THydrogen-bonded Turntrans-797.7179.2-70.8-83.2000114.5L141 Q287 L288 L293 I363 N366 E367 W372L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å
144Y98.1Very high94.3Very high58 Ų5862.4 Ų62.423%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-138.5119.9-178.8-61.2-84.1000111.9L141 P142 Q199 V285 K286 Q287L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; P142-Y144 PolarHBondContact O-N 2.77Å; Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; Y144-K286 WeakPolarHBondContact CA-O 3.41Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å
145D97.8Very high95.4Very high48 Ų4858.3 Ų58.326%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-77.6131.4160.9-73.1-29.1000109.1V285 K286 R296D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å
146L97.6Very high95.7Very high99 Ų9952.9 Ų52.952%0.51825%0.253SS..EExtended strand (participates in β ladder)trans-79.9119.5170.5-172.3158.8000108.3E149 Y283L146-E149 HydrophobicContact CD2-CG 4.31Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å
147L98Very high95Very high72 Ų7254.4 Ų54.438%0.37727%0.267SS..EExtended strand (participates in β ladder)trans-94.5-41.3176.6-56.2-176.1000111.6V196 L284 K286L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å
148D97.7Very high93.5Very high70 Ų7050.5 Ų50.537%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-157.1159.7-179.5-151.8-13.6000113.1Q177 Y283 L284D148-Q177 PolarHBondContact OD2-NE2 3Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å
149E96.4Very high92Very high77 Ų7754.1 Ų54.136%0.3628%0.277SS..EExtended strand (participates in β ladder)trans-10582.7176-55.7-160.2136.900111.2L146 I151 K152 Y283L146-E149 HydrophobicContact CD2-CG 4.31Å; E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; E149-K152 HydrophobicContact CB-CG 4.35Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å
150L97.4Very high90.5Very high29 Ų2957.9 Ų57.915%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-61.9-36.1-179.1-56179.9000113F171 L173 V198 V282 L284L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å
151I96.6Very high89.1Confident18 Ų1853.8 Ų53.89%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-137.8115.9167-56.4-175.1000108E149 F169 F171 A281 V282E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å
152K95.1Very high88Confident121 Ų12158.4 Ų58.453%0.52631%0.314SS..EExtended strand (participates in β ladder)trans-62157.1174.9-64.8-170172.2178.30111.7V132 E149 T154V132-K152 HydrophobicContact CG1-CB 3.9Å; E149-K152 HydrophobicContact CB-CG 4.35Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å
153P95.1Very high87.4Confident7 Ų767.8 Ų67.85%0.04535%0.347CS..EExtended strand (participates in β ladder)trans-48.5106.6174.5-31.739.1000113.1H133 I136 L138 M280 A281H133-P153 PolarHBondContact N-O 2.82Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; P153-M280 WeakPolarHBondContact CA-O 3.44Å; P153-A281 HydrophobicContact CG-CB 4.13Å
154T94.6Very high86.9Confident8 Ų872.1 Ų72.15%0.04937%0.366CS..EExtended strand (participates in β ladder)trans-121.7138.3-171.2-60.30000109.4H130 K152 F169 S279 M280H130-T154 HydrophobicContact CB-CG2 3.36Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å
155S92.6Very high86.5Confident13 Ų1370.5 Ų70.59%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-67.9132.7-178.8-151.90000112P131 A157P131-S155 PolarHBondContact O-N 2.94Å; S155-A157 PolarHBondContact O-N 3.5Å
156L91.5Very high86.3Confident2 Ų273.4 Ų73.41%0.0137%0.371CS..  trans-75.3107.2164.8-65.3-173000107.6S158 F169 F202 P216 V268 W270 Y278 M280L156-S158 PolarHBondContact O-N 3.43Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L156-P216 HydrophobicContact CD1-CG 3.75Å; L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å
157A75.1Confident86.1Confident38 Ų3869.3 Ų69.331%0.31435%0.35SS..  trans-62.2119.6-164.900000112.9S155S155-A157 PolarHBondContact O-N 3.5Å
158S63Low85.9Confident60 Ų6068.5 Ų68.542%0.4235%0.35SS..  trans-97.880.2168.6-173.70000110.1L156L156-S158 PolarHBondContact O-N 3.43Å
159D63.4Low85.9Confident93 Ų9365.8 Ų65.850%0.49734%0.335SS..  trans-57.6166.2146.2165.454.5000108.9S161 R165D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å; D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å
160N61.6Low85.9Confident154 Ų15465.2 Ų65.282%0.82434%0.343SS*.SBendtrans-109.40.4-167.6-119.3-1.8000115.3R165N160-R165 VanDerWaalsContact C-NH2 3.27Å
161S66.8Low85.9Confident91 Ų9164.3 Ų64.364%0.63634%0.338SS*.SBendtrans-80.2-36-172.261.70000117.9D159D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å
162Q74.8Confident86Confident134 Ų13466.6 Ų66.663%0.62636%0.36SS*.  trans-123.5150.8-172-62.5-174.8-300113.6F164 R165Q162-F164 WeakPolarHBondContact CB-O 3.36Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å
163R83.8Confident86.1Confident216 Ų21661.1 Ų61.182%0.81534%0.336SS*.SBendtrans-76.6-46.1174.4-76.1-167.1-179-164.73112.6T271 A272R163-T271 WeakPolarHBondContact O-CA 3.42Å; R163-A272 PolarHBondContact O-N 3.34Å
164F87.6Confident86.3Confident106 Ų10663.7 Ų63.747%0.46535%0.352SS..EExtended strand (participates in β ladder)trans-79.8141.6172.2-167.2-102.1000108.9Q162 W270Q162-F164 WeakPolarHBondContact CB-O 3.36Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å
165R90.4Very high86.4Confident24 Ų2467.8 Ų67.89%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-131.3148.2179.9-64.5-63.8165.3166.46.3109.5D159 N160 Q162 S269 W270 A272D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å; N160-R165 VanDerWaalsContact C-NH2 3.27Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å; R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; R165-A272 HydrophobicContact CG-CB 4.12Å
166E92.7Very high86.7Confident110 Ų11073.4 Ų73.451%0.51440%0.403SS..EExtended strand (participates in β ladder)trans-136.5144.8170.7-173.3157.2105.200108.8V267 V268 S269E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å
167T93.4Very high87Confident13 Ų1373.9 Ų73.98%0.0841%0.405CS..EExtended strand (participates in β ladder)trans-148.4137.9178.7-60.10000109.6H130 F169 V268 W270H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å
168C94.9Very high88Confident55 Ų5573.1 Ų73.137%0.37240%0.397SS..EExtended strand (participates in β ladder)trans-107.2133179.6-1700000110.6H130 I266 V267H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; C168-I266 WeakPolarHBondContact CA-O 3.41Å; C168-V267 HydrophobicContact CB-CG2 4.44Å
169F96.8Very high89.7Confident12 Ų1276.9 Ų76.95%0.05341%0.408CS..EExtended strand (participates in β ladder)trans-120.7153.1175.7-61.6-88.2000109.4H130 I151 T154 L156 T167 T265 I266 V268 M280H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å
170A97Very high91.3Very high65 Ų6575.7 Ų75.754%0.53740%0.399SS..EExtended strand (participates in β ladder)trans-137.1147.2174.800000111.1N264 T265A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; A170-T265 HydrophobicContact CB-CG2 4.49Å
171F97.9Very high92.9Very high11 Ų1168.3 Ų68.35%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-144.7155.7171.369-81.9000110.3L150 I151 L173 V198 V256 N264 I266 V282L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å
172A97.8Very high94.3Very high65 Ų6566.8 Ų66.854%0.53735%0.349SS..  trans-113.7156.3172.100000109.7
173L98Very high95.2Very high7 Ų764.9 Ų64.94%0.03735%0.351CS..  trans-103.9141.8172.1-65.3175.6000109.9L150 F171 Q177 V178 I181 V256 L258L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; L173-I181 HydrophobicContact CD1-CD1 4.09Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; L173-L258 HydrophobicContact CD1-CD2 4.08Å
174T97.9Very high95.7Very high61 Ų6155.2 Ų55.237%0.37432%0.316SS..  trans-78.5159.7171.178.10000110.8Q176 Q177 V178T174-Q176 PolarHBondContact O-N 2.99Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; T174-V178 PolarHBondContact O-N 2.83Å
175P97.9Very high95.8Very high94 Ų9454.6 Ų54.661%0.6132%0.316SS*.Hα-helixtrans-54.3-39.9175.9-23.531.2000113V178 Q179 T260P175-V178 PolarHBondContact O-N 3.13Å; P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å
176Q98Very high95.3Very high130 Ų13056.8 Ų56.861%0.60733%0.33SS*.Hα-helixtrans-64.4-43.5177.4-175.3178.92.500111.9T174 Q179 Q180T174-Q176 PolarHBondContact O-N 2.99Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å
177Q98Very high94.3Very high12 Ų1257.6 Ų57.66%0.05634%0.336CS..Hα-helixtrans-65.8-40.7178-64.7167.9-14.100111.5D148 L173 T174 Q179 Q180 I181 L284D148-Q177 PolarHBondContact OD2-NE2 3Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å
178V97.4Very high93.2Very high23 Ų2362.1 Ų62.114%0.13937%0.368CS..Hα-helixtrans-60.9-42.4174171.70000111.2L173 T174 P175 S182 L258 T260L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; T174-V178 PolarHBondContact O-N 2.83Å; P175-V178 PolarHBondContact O-N 3.13Å; V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å
179Q97Very high91.6Very high138 Ų13861.9 Ų61.965%0.64538%0.375SS*.Hα-helixtrans-66.8-40.5175.9-172.3-17910.200112.1P175 Q176 Q177 S183P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å
180Q96.9Very high89.9Confident68 Ų6868.7 Ų68.732%0.31842%0.418SS..Hα-helixtrans-63.6-44.1176.8-77.8174.9-46.200112Q176 Q177 S184 V196Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å
181I96.9Very high88.5Confident0 Ų072.9 Ų72.90%042%0.424CS..Hα-helixtrans-64.5-54.5175.8-63161.8000109.5L173 Q177 S183 S184 F194 V196 V198 T253 L258 L284L173-I181 HydrophobicContact CD1-CD1 4.09Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; I181-T253 HydrophobicContact CG2-CG2 3.75Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å
182S94.5Very high87Confident58 Ų5876 Ų7641%0.40645%0.446SS..Hα-helixtrans-60.6-36-174.2-54.10000113.6V178 S184V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; S182-S184 VanDerWaalsContact C-N 3.33Å
183S94.4Very high86.4Confident94 Ų9477.1 Ų77.166%0.65744%0.443SS*.Hα-helixtrans-81.6-8.317861.30000114.3Q179 I181Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å
184S94.7Very high86.2Confident14 Ų1479.2 Ų79.210%0.09845%0.452CS..THydrogen-bonded Turntrans-91.25.6-17777.40000115.1Q180 I181 S182 D186 T195 V196Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; S182-S184 VanDerWaalsContact C-N 3.33Å; S184-D186 PolarHBondContact O-N 3.34Å; S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å
185M88.7Confident86Confident92 Ų9278.5 Ų78.545%0.45345%0.448SS..EExtended strand (participates in β ladder)trans-63.3113.1-177-169.3172.470.300110.8I187 C192 F194M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å
186D80.5Confident86Confident71 Ų7174.6 Ų74.638%0.3842%0.422SS..EExtended strand (participates in β ladder)trans-98.1122.3177.4-170.62.9000110.1S184 S188 D193 T195S184-D186 PolarHBondContact O-N 3.34Å; D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å; D186-D193 PolarHBondContact N-O 3Å; D186-T195 HydrophobicContact CB-CG2 4Å
187I72Confident86Confident127 Ų12768.5 Ų68.565%0.65139%0.394SS*.  trans-98.71.8-178.3-43.7178.4000110.3M185 G189M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; I187-G189 PolarHBondContact O-N 3.45Å
188S69.2Low86Confident108 Ų10868 Ų6876%0.75539%0.391SS*.SBendtrans-69-0.8-175.3-51.60000114.9D186D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å
189G62.9Low86.1Confident49 Ų4967 Ų6751%0.50539%0.385SS..SBendtrans-129.6168.8-179.400000113.6I187 K191I187-G189 PolarHBondContact O-N 3.45Å; G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å
190T59.7Low86.1Confident156 Ų15660.5 Ų60.596%0.95735%0.354SS*.SBendtrans-68.8-2.2175.256.70000114
191K67.2Low86.2Confident153 Ų15357.8 Ų57.867%0.66534%0.341SS*.SBendtrans-126.8131.2170.7-66.5-175178.1-1770108G189 D193G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å; K191-D193 PolarHBondContact O-N 2.81Å
192C68.1Low86.2Confident76 Ų7657.8 Ų57.851%0.51434%0.341SS..  trans-76.9102.2172-172.10000108.2M185M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å
193D84.5Confident86.3Confident89 Ų8955.1 Ų55.148%0.47632%0.322SS..EExtended strand (participates in β ladder)trans-117141.9-179.6-81.9-47.3000109.8D186 K191D186-D193 PolarHBondContact N-O 3Å; K191-D193 PolarHBondContact O-N 2.81Å
194F93Very high86.3Confident50 Ų5052.1 Ų52.122%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-84.6131175.8-63.2-81.5000110I181 M185 V196 Q197 T253I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å
195T94.9Very high86.2Confident47 Ų4752.8 Ų52.829%0.28830%0.303SS..SBendtrans-76.1-24.1173.858.40000112.2S184 D186 K286 Q287S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; D186-T195 HydrophobicContact CB-CG2 4Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; T195-Q287 PolarHBondContact O-N 3.04Å
196V97.8Very high86.3Confident12 Ų1250.2 Ų50.27%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-100.7122.5167178.20000109.2L147 Q180 I181 S184 F194 L284 V285 K286L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å
197Q97.5Very high86.8Confident2 Ų249.1 Ų49.11%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-130.7150.1-165.5-63.3174.62.700112F194 N251 T253 V285F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å
198V98.3Very high87.6Confident0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-88.7114.2162.9-176.90000108.4L150 F171 I181 I252 T253 V256 V282 L284L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; V198-T253 PolarHBondContact N-OG1 3.46Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å
199Q98.3Very high88.6Confident4 Ų441.6 Ų41.62%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-111.2117.2-174.9-173.6177.899.600110.9Y144 R201 P249 I250 V282 Y283 V285Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; Q199-I250 WeakPolarHBondContact CA-O 3.49Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å
200L98.4Very high90.1Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-89131.6171.7168.861.1000109.8F202 V221 I250 I252 M280 V282L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å
201R98.2Very high91.8Very high12 Ų1236.4 Ų36.45%0.04520%0.203CC..EExtended strand (participates in β ladder)trans-130.7150.2176.1-60.4-17570.9-173.12.8111.4L138 Q139 Q199 D213 P249 M280 A281 Y283L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; R201-P249 HydrophobicContact CG-CB 4.14Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å
202F97.5Very high93.1Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-127.3146.1174.6-66.2-80.9000109.6L156 L200 D213 H214 F215 L219 V221 I250 V268 S279 M280L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å
203C96.6Very high94.4Very high1 Ų132.4 Ų32.41%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-146.7171.917758.30000111.3L138 Q211 Y278 S279L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å
204L94.4Very high94.9Very high32 Ų3230.2 Ų30.217%0.16817%0.167CC..EExtended strand (participates in β ladder)trans-73.1146.3164.2-65.7172.1000109.6E206 Q211 H214 Y278L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; L204-H214 HydrophobicContact CG-CB 4.19Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å
205S92.4Very high95.1Very high27 Ų2728.5 Ų28.519%0.18916%0.159CC..  trans-79.752175.9-46.60000112.6N277 Y278 S279S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å
206E90.7Very high95Very high38 Ų3826.5 Ų26.518%0.17815%0.148CC..  trans-99.2144.1171.9-29.1-151.7142.200111K56 R63 L204 Q211K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å; L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; E206-Q211 PolarHBondContact O-NE2 3.3Å
207T91Very high94.8Very high49 Ų4927.4 Ų27.430%0.30115%0.154SC..  trans-115.91.5-177.556.60000113.8D135 I136 C209D135-T207 HydrophobicContact CB-CG2 3.72Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å
208S89.7Confident94.5Very high20 Ų2031.2 Ų31.214%0.1417%0.174CC..SBendtrans-71.8-18.7178.253.50000115Y25 K56 E59Y25-S208 PolarHBondContact OH-O 2.94Å; K56-S208 PolarHBondContact NZ-OG 3.35Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å
209C90.3Very high94.3Very high56 Ų5631.6 Ų31.638%0.37818%0.176SC..SBendtrans-160.5163.1-178.652.20000110.5T207 Q211T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å
210P92.9Very high94.2Very high83 Ų8333.9 Ų33.954%0.53919%0.192SC..PPolyproline II helixtrans-57.4133.7166.1-22.334.1000111K137 Q139K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; Q139-P210 HydrophobicContact CB-CB 4.43Å
211Q95.5Very high94.2Very high13 Ų1334 Ų346%0.06119%0.192CC..BIsolated β-bridgetrans-91.8132.7-171.9-60.5-62.2-65.300112.4K137 L138 Q139 C203 L204 E206 C209K137-Q211 PolarHBondContact O-N 2.98Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; Q139-Q211 PolarHBondContact N-O 2.97Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; E206-Q211 PolarHBondContact O-NE2 3.3Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å
212E94.8Very high94.2Very high123 Ų12337.2 Ų37.258%0.57521%0.207SC*.PPolyproline II helixtrans-64.7157.6163.8-77.5-176.7165.500110.6H214E212-H214 PolarHBondContact O-N 3.25Å
213D96.5Very high94.2Very high23 Ų2337.2 Ų37.212%0.12321%0.207CC..PPolyproline II helixtrans-60.6127.1172.6-66.2-88.2000110.1R201 F202 S247R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; D213-S247 WeakPolarHBondContact O-CB 3.39Å
214H95.4Very high94.3Very high43 Ų4337.6 Ų37.620%0.19921%0.209CC..  trans-140.1110.9177.1-162-44.5000110.7F202 L204 E212 S247 Y278F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; L204-H214 HydrophobicContact CG-CB 4.19Å; E212-H214 PolarHBondContact O-N 3.25Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; H214-Y278 AromaticContact ND1-CE1 3.87Å
215F95.8Very high94.4Very high13 Ų1341.8 Ų41.86%0.05724%0.236CC..PPolyproline II helixtrans-69.8140.9172.7-63.1-29.5000111.5F202 L219 P231 R245 P246 S247 R248 I250F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; F215-P246 WeakPolarHBondContact CE2-O 3.32Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å
216P94.4Very high94.7Very high6 Ų646.5 Ų46.54%0.03925%0.253CS..PPolyproline II helixtrans-58.8156.5160.1-2333.3000112.3L156 L219 W270 Y278L156-P216 HydrophobicContact CD1-CG 3.75Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å
217P91.6Very high95Very high31 Ų3149.4 Ų49.420%0.20128%0.275CS..THydrogen-bonded Turntrans-63.9144.8172-1831.2000111.6L219 T271 E273P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; P217-T271 PolarHBondContact O-N 2.97Å; P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å
218N91.8Very high95.2Very high82 Ų8247.8 Ų47.844%0.43927%0.266SS..THydrogen-bonded Turntrans51.831-178.6-57.2-39000114.1C220 T271N218-C220 PolarHBondContact O-N 3.27Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å
219L95.5Very high95.3Very high7 Ų752.3 Ų52.34%0.03730%0.297CS..  trans-55.8123.9178.6178.967.6000111.2F202 F215 P216 P217 V221 L230 R245 V268 S269F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å
220C95.7Very high95.5Very high52 Ų5251.1 Ų51.135%0.35129%0.287SS..EExtended strand (participates in β ladder)trans-122.3141.2166.1-175.90000108.2N218 S269N218-C220 PolarHBondContact O-N 3.27Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å
221V97.9Very high95.3Very high2 Ų248.8 Ų48.81%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-135135178.7178.40000108.7L200 F202 L219 V223 C228 L230 I266 V267L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; V221-V223 HydrophobicContact CG1-CG2 4.21Å; V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å
222K98.2Very high95Very high81 Ų8150.9 Ų50.935%0.35230%0.297SS..EExtended strand (participates in β ladder)trans-122.2133.7168.9-58.1170-174.1163.30108.8K226 I266 V267K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å
223V98.4Very high94.6Very high0 Ų050.8 Ų50.80%029%0.292CS..EExtended strand (participates in β ladder)trans-117.6122.9175.7-179.70000107.6V221 T225 K226 I252 L255 V256 T265 I266V221-V223 HydrophobicContact CG1-CG2 4.21Å; V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å
224N97.9Very high93.9Very high9 Ų954.5 Ų54.55%0.04831%0.311CS..THydrogen-bonded Turntrans47.752.3-174.4-62.2-51000112.5K226 L255 R257 N264 T265N224-K226 PolarHBondContact O-N 3.08Å; N224-L255 PolarHBondContact ND2-O 3.28Å; N224-R257 PolarHBondContact OD1-NH1 3.2Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å
225T96.4Very high93.1Very high120 Ų12057.6 Ų57.674%0.73634%0.335SS*.THydrogen-bonded Turntrans63.2-17.3-172.676.30000117.2V223V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å
226K97.9Very high92.1Very high125 Ų12560.8 Ų60.854%0.54336%0.357SS..EExtended strand (participates in β ladder)trans-77.5135.2178.2-62.8-177.7179.7-178.20111.5K222 V223 N224 L255K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; N224-K226 PolarHBondContact O-N 3.08Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å
227P96.9Very high91.3Very high99 Ų9966.6 Ų66.664%0.64339%0.393SS*.EExtended strand (participates in β ladder)trans-65.6139.717628.3-34.3000111.1
228C95.8Very high90.6Very high16 Ų1672.5 Ų72.511%0.10842%0.415CS..PPolyproline II helixtrans-94.3129.6178.6-177.10000111.1V221 L230 I250 L255V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; C228-L230 PolarHBondContact O-N 3.35Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; C228-L255 HydrophobicContact CB-CD1 3.87Å
229S93.1Very high89.7Confident115 Ų11576.8 Ų76.880%0.80444%0.439SS*.  trans-71.9107.8176.8-63.40000111.1
230L93.4Very high88.7Confident31 Ų3180.7 Ų80.716%0.16248%0.48CS..PPolyproline II helixtrans-86.9157.4174.7-59.7177.7000110.9L219 V221 C228 R245 I250L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; C228-L230 PolarHBondContact O-N 3.35Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å
231P89.7Confident87.5Confident34 Ų3481.8 Ų81.822%0.22149%0.485CS..PPolyproline II helixtrans-50.5143.9174.9-28.735.3000113.1F215 R245 P246 R248F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; P231-P246 HydrophobicContact CB-CG 3.99Å; P231-R248 HydrophobicContact CG-CB 4.42Å
232G87.6Confident86.3Confident57 Ų5788.8 Ų88.859%0.58852%0.518SS*.PPolyproline II helixtrans-60.6152.5175.800000112.3P246G232-P246 WeakPolarHBondContact O-CD 3.35Å
233Y86.8Confident85Confident121 Ų12187.8 Ų87.848%0.47552%0.52SS..PPolyproline II helixtrans-66.4139.6172-73.7-86.1000110.4P243 R245Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å
234L80.9Confident84.2Confident100 Ų10094.2 Ų94.252%0.52455%0.547SS..PPolyproline II helixtrans-75.7145.1168.9-64.1176.4000109.5K244 P246L234-K244 PolarHBondContact N-O 3.25Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å
235P79Confident83.7Confident108 Ų10896 Ų9670%0.70155%0.554SS**PPolyproline II helixtrans-54.1141.5169.8-24.734.3000111.1T237P235-T237 PolarHBondContact O-N 3.46Å
236P76.2Confident83.4Confident80 Ų8092 Ų9252%0.51953%0.529SS..PPolyproline II helixtrans-63.5127.8177.526.9-33.8000110K238P236-K238 VanDerWaalsContact C-N 3.32Å
237T76Confident83.2Confident128 Ų12887.6 Ų87.679%0.78552%0.515SS*.SBendtrans-79.7-14.6-177.454.20000113.6P235P235-T237 PolarHBondContact O-N 3.46Å
238K77.3Confident83.1Confident155 Ų15587.3 Ų87.367%0.67450%0.501SS*.SBendtrans-149.7148.5175.3-62.1-172.2178.7-172.70109.5P236 G240 V241P236-K238 VanDerWaalsContact C-N 3.32Å; K238-G240 PolarHBondContact O-N 3.42Å; K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å
239N73.3Confident83.1Confident173 Ų17388.2 Ų88.293%0.92551%0.506SS*.THydrogen-bonded Turntrans-57.3133.8175.9-62.323.1000110.3
240G73.8Confident83.3Confident89 Ų8983.1 Ų83.192%0.91847%0.47SS*.THydrogen-bonded Turntrans83.6-2.4-179.400000116K238K238-G240 PolarHBondContact O-N 3.42Å
241V72Confident83.5Confident75 Ų7584.7 Ų84.746%0.45548%0.479SS..PPolyproline II helixtrans-85.1123.4170.8-179.20000109.4K238K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å
242E70.9Confident83.8Confident148 Ų14883.1 Ų83.169%0.69247%0.468SS*.PPolyproline II helixtrans-59.1134.5176.8-170.6179.3178.500111K244E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å
243P72.3Confident84.3Confident60 Ų6080.7 Ų80.739%0.3944%0.442SS..PPolyproline II helixtrans-56.3117.2178.7-26.135.2000111.6Y233Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å
244K80.4Confident84.7Confident135 Ų13579.9 Ų79.959%0.58745%0.454SS*.PPolyproline II helixtrans-94.2123.8179-167.7169-177.4177.10110.8L234 E242L234-K244 PolarHBondContact N-O 3.25Å; E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å
245R88.3Confident85.4Confident47 Ų4776.8 Ų76.818%0.17744%0.438CS..PPolyproline II helixtrans-69.5133167.1-179.1176.1-74.2138.71.9109.4F215 L219 L230 P231 Y233 S247F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å; R245-S247 PolarHBondContact O-N 3.26Å
246P90.3Very high86.3Confident35 Ų3572.3 Ų72.323%0.22741%0.408CS..PPolyproline II helixtrans-72.8116.9176.328.9-29.8000109.6F215 P231 G232 L234 R248F215-P246 WeakPolarHBondContact CE2-O 3.32Å; P231-P246 HydrophobicContact CB-CG 3.99Å; G232-P246 WeakPolarHBondContact O-CD 3.35Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å; P246-R248 PolarHBondContact O-N 3.1Å
247S94.2Very high87.3Confident33 Ų3373.6 Ų73.623%0.23140%0.403CS..PPolyproline II helixtrans-62.3125.5174.3-50.90000110.6D213 H214 F215 R245D213-S247 WeakPolarHBondContact O-CB 3.39Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; R245-S247 PolarHBondContact O-N 3.26Å
248R93.9Very high88.3Confident94 Ų9470.3 Ų70.336%0.35538%0.38SS..  trans-151.9157.9-179-70.6-167.5173.9-155.3-4.7110.1F215 P231 P246F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; P231-R248 HydrophobicContact CG-CB 4.42Å; P246-R248 PolarHBondContact O-N 3.1Å
249P96.6Very high89.1Confident35 Ų3564.7 Ų64.723%0.22736%0.36CS..  trans-55145.1163.527.8-39.1000110.9L141 Q199 R201L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; R201-P249 HydrophobicContact CG-CB 4.14Å
250I96.8Very high90.2Very high8 Ų860 Ų604%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-114.7116-179-54.7157.2000108Q199 L200 F202 F215 C228 L230 I252Q199-I250 WeakPolarHBondContact CA-O 3.49Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å
251N96.5Very high91.2Very high64 Ų6461.3 Ų61.334%0.34233%0.329SS..EExtended strand (participates in β ladder)trans-73.7115.7169.1178.7-0.1000108.5Q197 T253Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å
252I97.4Very high92.3Very high0 Ų060.7 Ų60.70%033%0.325CS..  trans-1084.9179.362.8165.7000113.2V198 L200 V223 I250 S254 L255 V256 I266V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å; I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å; I252-L255 PolarHBondContact O-N 2.81Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å
253T96.6Very high93.6Very high6 Ų657 Ų574%0.03731%0.313CS..G310 helixtrans-53.1-40.3-171.4-46.90000113.2I181 F194 Q197 V198 N251 L255 V256I181-T253 HydrophobicContact CG2-CG2 3.75Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; V198-T253 PolarHBondContact N-OG1 3.46Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å; T253-L255 PolarHBondContact O-N 3.18Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å
254S95.1Very high94.8Very high104 Ų10454.1 Ų54.173%0.72730%0.295SS*.G310 helixtrans-69.2-11.8178.956.50000115I252I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å
255L96.9Very high95.7Very high36 Ų3649.7 Ų49.719%0.18828%0.279CS..G310 helixtrans-104.9-9.6175.6-53.9177.5000112.4V223 N224 K226 C228 I252 T253V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; N224-L255 PolarHBondContact ND2-O 3.28Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å; C228-L255 HydrophobicContact CB-CD1 3.87Å; I252-L255 PolarHBondContact O-N 2.81Å; T253-L255 PolarHBondContact O-N 3.18Å
256V97.4Very high96.2Very high13 Ų1347.4 Ų47.48%0.07927%0.271CS..SBendtrans-81.4134.6-179.7168.70000110.2F171 L173 V198 V223 I252 T253 L258 N264F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å
257R97.3Very high96.5Very high108 Ų10847.1 Ų47.141%0.40827%0.268SS..  trans-73.5110.7166.6-64.5168.2-177.3148.6-2.1107.6N224 S259 P263 N264N224-R257 PolarHBondContact OD1-NH1 3.2Å; R257-S259 PolarHBondContact O-N 2.97Å; R257-P263 PolarHBondContact NH1-O 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å
258L96.1Very high96.7Very high59 Ų5945.6 Ų45.631%0.30926%0.257SS..  trans-76.961.8172.3-58.4-176.8000110.2L173 V178 I181 V256L173-L258 HydrophobicContact CD1-CD2 4.08Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å
259S95.5Very high96.7Very high36 Ų3641.2 Ų41.225%0.25224%0.241SC..  trans-134.2147-179.9179.50000110.5R257 T261R257-S259 PolarHBondContact O-N 2.97Å; S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å
260T95.7Very high96.6Very high74 Ų7439.9 Ų39.945%0.45423%0.232SC..SBendtrans-92.3-14.3173.856.30000112.6P175 V178P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å
261T95.8Very high96.4Very high118 Ų11841.1 Ų41.172%0.72424%0.239SC*.SBendtrans-93.8-12.5-174.959.20000114S259S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å
262V95.3Very high96.1Very high62 Ų6239.4 Ų39.438%0.37623%0.234SC..SBendtrans-136.2127.8-175.9-177.90000109.7
263P97.1Very high95.6Very high69 Ų6942.9 Ų42.945%0.44825%0.251SS..  trans-68.2154.4176.529.2-35000112.1R257R257-P263 PolarHBondContact NH1-O 3.46Å
264N98.6Very high95Very high0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-90.5135.1168.9-76.4-81.6000109.6A170 F171 N224 V256 R257A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å
265T98.3Very high94.5Very high42 Ų4249.5 Ų49.526%0.25829%0.29SS..EExtended strand (participates in β ladder)trans-112.6141.9176.159.40000111.3F169 A170 V223 N224F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; A170-T265 HydrophobicContact CB-CG2 4.49Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å
266I98.4Very high94.1Very high0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-126.5119172.5-48177.6000108.6C168 F169 F171 V221 K222 V223 I252 V268 M280 V282C168-I266 WeakPolarHBondContact CA-O 3.41Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å; I266-V268 HydrophobicContact CG2-CG2 4Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å
267V97.5Very high93.8Very high29 Ų2957.2 Ų57.218%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-99.3123.8170.2-177.50000107.9E166 C168 V221 K222E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; C168-V267 HydrophobicContact CB-CG2 4.44Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å
268V97.2Very high93.7Very high0 Ų052.2 Ų52.20%030%0.304CS..EExtended strand (participates in β ladder)trans-114.3125.4178-178.80000108.5L156 E166 T167 F169 F202 L219 I266 W270 M280L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; I266-V268 HydrophobicContact CG2-CG2 4Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å
269S95.2Very high93.6Very high3 Ų349.4 Ų49.42%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-123137.1176.8-17.60000110.2R165 E166 L219 C220R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å
270W94.8Very high93.7Very high7 Ų747.7 Ų47.73%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-155172.5-175.574103.8000112.5L156 F164 R165 T167 P216 V268L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å
271T92Very high93.8Very high33 Ų3344.2 Ų44.220%0.20226%0.255CS..EExtended strand (participates in β ladder)trans-99.7125.7168.5-57.70000110.5R163 P217 N218R163-T271 WeakPolarHBondContact O-CA 3.42Å; P217-T271 PolarHBondContact O-N 2.97Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å
272A89.6Confident93.9Very high29 Ų2938.6 Ų38.624%0.2422%0.221CC..  trans-72.3137.8178.200000111.9R163 R165R163-A272 PolarHBondContact O-N 3.34Å; R165-A272 HydrophobicContact CG-CB 4.12Å
273E86.5Confident94.1Very high72 Ų7236.1 Ų36.134%0.33621%0.205SC..BIsolated β-bridgetrans-111.4133.5175.5-87.6-177.5-174.900111.4P217 G275 R276 Y278P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å; E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å; E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å
274I84.6Confident94.1Very high186 Ų18632.9 Ų32.995%0.95418%0.184SC*.THydrogen-bonded Turntrans-63.1119.1179-59.1174.1000109.5
275G84.8Confident94.1Very high63 Ų6333.1 Ų33.165%0.64919%0.185SC*.THydrogen-bonded Turntrans85.44.9177.900000115.4E273E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å
276R88.3Confident94.1Very high123 Ų12335.7 Ų35.746%0.46419%0.193SC..BIsolated β-bridgetrans-121.6122.9169.1-64.1-163.7-174.5135.4-4.4110.9E273 Y278E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å
277N91.3Very high94Very high88 Ų8839.3 Ų39.347%0.47121%0.21SC..  trans-104.1149.8168.8-63.4-60.6000108.8S205S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å
278Y94.6Very high93.9Very high4 Ų438.4 Ų38.42%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-125.1149.1-177.6-62.9-89.9000110L156 C203 L204 S205 H214 P216 E273 R276L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; H214-Y278 AromaticContact ND1-CE1 3.87Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å
279S95.5Very high93.9Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-127.3152.5176.5-68.10000111.2I136 T154 F202 C203 S205I136-S279 WeakPolarHBondContact CD1-OG 3.31Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å
280M96.8Very high94Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-120.5142.9-177.8178.6-172.6-173.700109.1P153 T154 L156 F169 L200 R201 F202 I266 V268 V282P153-M280 WeakPolarHBondContact CA-O 3.44Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å; M280-V282 HydrophobicContact CE-CG2 4.37Å
281A97.5Very high94.1Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-141.2150.7170.800000110.3L138 I151 P153 R201 Y283L138-A281 HydrophobicContact CD1-CB 4.09Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; P153-A281 HydrophobicContact CG-CB 4.13Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å
282V98.3Very high94.3Very high0 Ų045.2 Ų45.20%025%0.248CC..EExtended strand (participates in β ladder)trans-126.2125.3175.3-174.20000108.2L150 I151 F171 V198 Q199 L200 I266 M280L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å; M280-V282 HydrophobicContact CE-CG2 4.37Å
283Y98.5Very high94.8Very high11 Ų1143.9 Ų43.94%0.04324%0.237CC..EExtended strand (participates in β ladder)trans-120.1146.2-176.3-62-72.5000110.6L138 L146 D148 E149 Q199 R201 A281L138-Y283 HydrophobicContact CD1-CE2 4.45Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å
284L98.6Very high95.3Very high1 Ų141.4 Ų41.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-88.1125.3157.7-17368.1000107.3L147 D148 L150 Q177 I181 V196 V198L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å
285V98.4Very high96Very high4 Ų438.3 Ų38.32%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-133154-175.2-59.30000111.8Y144 D145 V196 Q197 Q199Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å
286K97.6Very high96.6Very high96 Ų9640 Ų4042%0.41720%0.195SC..EExtended strand (participates in β ladder)trans-105.9117.2165-175175.5-178.7174.50109.5Y144 D145 L147 T195 V196 L288Y144-K286 WeakPolarHBondContact CA-O 3.41Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å; K286-L288 HydrophobicContact CG-CD2 4.39Å
287Q96.5Very high97.1Very high76 Ų7634.2 Ų34.236%0.35517%0.173SC..EExtended strand (participates in β ladder)trans-67.5137171.1-172.6174-11.700109.8F143 Y144 T195F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å; T195-Q287 PolarHBondContact O-N 3.04Å
288L95.9Very high97.4Very high10 Ų1036.6 Ų36.65%0.05218%0.175CC..  trans-111.5151.2-179.5-51.4-179.5000109.9F143 K286 V292F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; K286-L288 HydrophobicContact CG-CD2 4.39Å; L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å
289S95.6Very high97.6Very high47 Ų4740.5 Ų40.533%0.32921%0.209SC..  trans-89.9163.8171.465.80000112.3T291 V292 L293 E367S289-T291 PolarHBondContact O-N 3.27Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å
290S97.3Very high97.6Very high12 Ų1245.4 Ų45.48%0.08423%0.23CC..Hα-helixtrans-53.2-3717147.50000112.9L293 L294 E367S290-L293 PolarHBondContact O-N 3.07Å; S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å
291T97.4Very high97.6Very high82 Ų8247.2 Ų47.250%0.50325%0.249SC..Hα-helixtrans-60.8-44.5176.3-52.90000112.3S289 L294 Q295S289-T291 PolarHBondContact O-N 3.27Å; T291-L294 PolarHBondContact O-N 3Å; T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å
292V97.7Very high97.6Very high45 Ų4551.9 Ų51.927%0.27327%0.272SS..Hα-helixtrans-66.6-41.1178.3176.10000110.8L288 S289 L294 Q295 R296L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; V292-L294 VanDerWaalsContact C-N 3.34Å; V292-Q295 PolarHBondContact O-N 2.85Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å
293L98.2Very high97.6Very high2 Ų255.7 Ų55.71%0.0129%0.287CS..Hα-helixtrans-65.9-35.7174.8-86.1162.4000112.7P142 F143 S289 S290 R296 L297 I363 Y383P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact O-N 3.07Å; L293-R296 PolarHBondContact O-N 3.41Å; L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å
294L98.3Very high97.6Very high20 Ų2059 Ų5911%0.10531%0.305CS..Hα-helixtrans-67.7-41176.2-166.668.4000112S290 T291 V292 L297 R298 I344 A359 T360 I363S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; T291-L294 PolarHBondContact O-N 3Å; V292-L294 VanDerWaalsContact C-N 3.34Å; L294-L297 PolarHBondContact O-N 3.34Å; L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; L294-A359 HydrophobicContact CD1-CB 3.72Å; L294-T360 HydrophobicContact CD2-CG2 3.98Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å
295Q98.3Very high97.5Very high121 Ų12160 Ų6057%0.56531%0.311SS*.Hα-helixtrans-60.2-45.7171.5-73.4171.9-21.400111.1T291 V292 L297 R298 A299T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å; V292-Q295 PolarHBondContact O-N 2.85Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; Q295-R298 PolarHBondContact O-N 3.29Å; Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å
296R98.3Very high97.3Very high98 Ų9863.9 Ų63.937%0.3733%0.332SS..Hα-helixtrans-62.8-37.8175.7-73.2174.7-179.7-157.7-0.6112.9D145 V292 L293 A299 K300 Y383D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å; L293-R296 PolarHBondContact O-N 3.41Å; R296-A299 PolarHBondContact O-N 2.96Å; R296-K300 PolarHBondContact O-N 3.3Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å
297L98.4Very high97.3Very high2 Ų263.7 Ų63.71%0.0133%0.333CS..Hα-helixtrans-65.8-44.9175.8-179.361.7000111.1L293 L294 Q295 A299 K300 A359 I363 Y383 L386 I388L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L294-L297 PolarHBondContact O-N 3.34Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å
298R98Very high97.2Very high137 Ų13760.1 Ų60.152%0.51732%0.316SS..Hα-helixtrans-60.2-39.3172.9-73.2173.5170.5179.1-5.2111.9L294 Q295 K300 G301 I344 I388L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; Q295-R298 PolarHBondContact O-N 3.29Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; R298-G301 PolarHBondContact O-N 3.19Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å
299A98.1Very high97.1Very high87 Ų8763.8 Ų63.872%0.71933%0.329SS*.Hα-helixtrans-68.2-17.4177.400000114.3Q295 R296 L297 G301Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.96Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-G301 PolarHBondContact O-N 3.44Å
300K96.5Very high97Very high103 Ų10364.2 Ų64.245%0.44834%0.336SS..THydrogen-bonded Turntrans-68.4-13.9167.1-60.9-173.4-168.2172.60112.8R296 L297 R298 Y383 E384R296-K300 PolarHBondContact O-N 3.3Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å
301G96.6Very high96.9Very high38 Ų3865 Ų6539%0.39234%0.339SS..  trans88.9173.3-175.400000114R298 A299R298-G301 PolarHBondContact O-N 3.19Å; A299-G301 PolarHBondContact O-N 3.44Å
302I98Very high96.7Very high97 Ų9761.3 Ų61.350%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-95.3135.4177.1-60174.4000108.2I388 M393I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å
303R97.9Very high96.5Very high81 Ų8165.8 Ų65.831%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-68.1133177.2-179.1171.8-176.274.9-1.1109.7H307 I387 I388 G390R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å
304N97.5Very high96.2Very high80 Ų8072.4 Ų72.443%0.42836%0.362SS..PPolyproline II helixtrans-50.2126.9177.5178.2-24.8000110.5D306 H307N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å
305P96.4Very high95.9Very high21 Ų2175.1 Ų75.114%0.13637%0.373CS..THydrogen-bonded Turntrans-55.3-28.4-179.927.2-40.9000114H307 S308 R309 L391 E394P305-H307 PolarHBondContact O-N 3.14Å; P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; P305-E394 WeakPolarHBondContact CG-OE1 3.4Å
306D95.8Very high95.6Very high86 Ų8669.7 Ų69.746%0.4635%0.348SS..Hα-helixtrans-63.3-25.2-179.1-61.5-28.1000112.8N304 S308 R309 A310N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å
307H95.8Very high95.3Very high93 Ų9369.2 Ų69.243%0.43136%0.356SS..Hα-helixtrans-66-34.5171.2-68.1-55.9000112.6R303 N304 P305 L311R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å; P305-H307 PolarHBondContact O-N 3.14Å; H307-L311 PolarHBondContact O-N 3.24Å
308S94.8Very high94.7Very high0 Ų071.7 Ų71.70%038%0.377CS..Hα-helixtrans-77.2-38.9176-60.80000110.4P305 D306 A310 L311 I312 R347 D389P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; S308-A310 PolarHBondContact O-N 3.14Å; S308-L311 PolarHBondContact O-N 3.15Å; S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; S308-R347 PolarHBondContact OG-NH2 3.01Å; S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å
309R94.6Very high94.3Very high88 Ų8869.7 Ų69.733%0.33238%0.377SS..Hα-helixtrans-58.7-43.7170.9-62.8179.1178.2112.511.7112P305 D306 I312 K313 L391 E394P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å
310A93.8Very high93.8Very high56 Ų5671.6 Ų71.646%0.46338%0.381SS..Hα-helixtrans-62.5-43.5175.800000112.2D306 S308 K313 E314D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å; S308-A310 PolarHBondContact O-N 3.14Å; A310-K313 PolarHBondContact O-N 2.95Å; A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å
311L93.8Very high93.6Very high29 Ų2974.2 Ų74.215%0.15240%0.4CS..Hα-helixtrans-66.7-34.8176-179.165.7000112.8H307 S308 K315H307-L311 PolarHBondContact O-N 3.24Å; S308-L311 PolarHBondContact O-N 3.15Å; L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å
312I94.5Very high93.3Very high3 Ų375 Ų752%0.01540%0.4CS..Hα-helixtrans-62.4-50.4171.8-73.1156000109.4S308 R309 E314 K315 L316 L329 L354 L391 F407S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; I312-E314 PolarHBondContact O-N 3.42Å; I312-K315 PolarHBondContact O-N 2.95Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å
313K92.7Very high92.9Very high139 Ų13980.1 Ų80.160%0.60442%0.422SS*.Hα-helixtrans-60.8-43.8178.5-173.9172.9-178172.70112.1R309 A310 K315 L316 T317R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; A310-K313 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å
314E91.6Very high92.5Very high141 Ų14183.2 Ų83.266%0.65944%0.443SS*.Hα-helixtrans-55.7-44.7174.5-176.3-170.315500111.5A310 I312A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å; I312-E314 PolarHBondContact O-N 3.42Å
315K92.4Very high92Very high78 Ų7881.8 Ų81.834%0.33944%0.442SS..Hα-helixtrans-74.4-24.3179.5-76.3178.7178.9-58.70115.2L311 I312 K313 L329 S352L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å; I312-K315 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å
316L92.8Very high91.7Very high6 Ų684.5 Ų84.53%0.03146%0.459CS..Hα-helixtrans-97-6.3177.4-68.5177.4000112.8I312 K313 A318 T326 L329 K408 E409I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; L316-A318 PolarHBondContact O-N 3.33Å; L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; L316-K408 WeakPolarHBondContact CD1-O 3.29Å; L316-E409 HydrophobicContact CB-CG 4.43Å
317T90.8Very high91.3Very high88 Ų8885.9 Ų85.954%0.5447%0.47SS..SBendtrans-69113.7170.7-59.60000108K313 D319K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å; T317-D319 PolarHBondContact O-N 3.2Å
318A87.6Confident91.1Very high54 Ų5482.8 Ų82.845%0.44646%0.459SS..  trans-61.613317500000110.5L316 A325L316-A318 PolarHBondContact O-N 3.33Å; A318-A325 HydrophobicContact CB-CB 3.77Å
319D88.6Confident91.1Very high96 Ų9684.2 Ų84.251%0.51347%0.467SS..  trans-73.2120.4167.1-174.3-21000107.9T317 D321 S322T317-D319 PolarHBondContact O-N 3.2Å; D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å; D319-S322 PolarHBondContact O-N 3.32Å
320P88.5Confident91.1Very high126 Ų12686.2 Ų86.282%0.81847%0.474SS*.THydrogen-bonded Turntrans-63.1-19.2-178.227.6-36.7000113.7
321D91.5Very high91.3Very high158 Ų15884.1 Ų84.185%0.84546%0.456SS*.THydrogen-bonded Turntrans-91.6-1176.9-64.8-29.3000112.6D319D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å
322S89.7Confident91.5Very high56 Ų5684 Ų8439%0.39246%0.457SS..  trans-104.9125.5-180-175.20000112.6D319 I324D319-S322 PolarHBondContact O-N 3.32Å; S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å
323E90.2Very high91.6Very high204 Ų20483.8 Ų83.895%0.95346%0.456SS*.SBendtrans-67.4-19.7171.6-62.5-175.5169.600112.9
324I88.5Confident91.9Very high145 Ų14579.3 Ų79.374%0.74444%0.439SS*.  trans-110.4118.1179.9-57.2175.3000109.1S322S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å
325A88Confident92.2Very high50 Ų5072.6 Ų72.641%0.41341%0.407SS..  trans-111.7139.8174.800000111A318 T327A318-A325 HydrophobicContact CB-CB 3.77Å; A325-T327 PolarHBondContact O-N 3.07Å
326T90Very high92.5Very high78 Ų7870.7 Ų70.748%0.47940%0.403SS..  trans-80.2109.4173.4-57.70000108.8L316 S328 L329L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å
327T88.2Confident92.6Very high115 Ų11573.2 Ų73.271%0.70642%0.416SS*.  trans-84.4-20.2-176.356.30000113.9A325A325-T327 PolarHBondContact O-N 3.07Å
328S90.9Very high92.9Very high29 Ų2970.1 Ų70.120%0.20340%0.402CS..EExtended strand (participates in β ladder)trans-156.2155.717966.20000111.9T326 Q406 F407T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; S328-Q406 PolarHBondContact OG-NE2 3.3Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å
329L94.2Very high93.3Very high30 Ų3075.2 Ų75.216%0.15741%0.414CS..EExtended strand (participates in β ladder)trans-116.8116.9174.4-61.8173.7000110.3I312 K315 L316 T326 L354 Q406 F407I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å
330R95.2Very high93.7Very high130 Ų13075.8 Ų75.849%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-84.6137.6171.1-61.4177.756.7176.3-1.5110.2E404 I405 Q406 M416R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; R330-I405 WeakPolarHBondContact CA-O 3.49Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å
331V97Very high94.1Very high11 Ų1172.9 Ų72.97%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-142152.7168.5-620000110.9L354 F392 E404 I405 F407V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å
332S97.6Very high94.5Very high26 Ų2665.6 Ų65.618%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-92.3142174.2-173.50000112L334 Q355 D403S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å
333L98.1Very high94.8Very high0 Ų067.7 Ų67.70%036%0.359CS..SBendtrans-87.3-0.2168.4-59.1-176.4000112.1R341 L342 F392 I395 L396 C399 D403 I405L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; L333-C399 HydrophobicContact CD1-CB 4.05Å; L333-D403 PolarHBondContact N-O 3.39Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å
334L98Very high95.2Very high45 Ų4558.2 Ų58.224%0.23632%0.315CS..BIsolated β-bridgetrans-88.3147.3169.3-56.9-179.4000111.3S332 R341 D403S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å
335C98.4Very high95.7Very high0 Ų051.3 Ų51.30%028%0.279CS..  trans-74.1120.9175.3-178.60000110.3L337 G338 K339 M340 L342 D358C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å
336P98Very high96.2Very high38 Ų3849 Ų4925%0.24726%0.26CS..THydrogen-bonded Turntrans-62-27.7-179.123.4-33.3000113.2K339 C356 F357 V376P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å; P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; P336-F357 HydrophobicContact CG-CB 4.06Å; P336-V376 HydrophobicContact CG-CG2 3.76Å
337L96Very high96.6Very high59 Ų5945.9 Ų45.931%0.30924%0.239SC..THydrogen-bonded Turntrans-75.4-44.1173.9-78.3173.2000113.7C335 L361 Y362 M365 P375C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; L337-Y362 HydrophobicContact CD1-CD2 4.04Å; L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å
338G95.8Very high97.1Very high23 Ų2340.5 Ų40.524%0.23721%0.206CC..THydrogen-bonded Turntrans-105.3-10.8-166.800000115.1C335 M340C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; G338-M340 PolarHBondContact O-N 2.95Å
339K96.7Very high97.4Very high161 Ų16143.7 Ų43.770%0.722%0.221SC*.SBendtrans51.520.5-172.4-48-52.3-171-170.50114.4C335 P336C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å
340M96.8Very high97.5Very high108 Ų10846 Ų4653%0.53224%0.236SC..SBendtrans-113.4156.5177.964.3-176.764.300109.9C335 G338 L342C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; G338-M340 PolarHBondContact O-N 2.95Å; M340-L342 PolarHBondContact O-N 2.97Å
341R97.8Very high97.6Very high64 Ų6440.3 Ų40.324%0.24222%0.217CC..BIsolated β-bridgetrans-54.8134.5178.7-165.8170.4-159.175.21.7111.6L333 L334 T343 L396 C399 C402 D403L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; R341-T343 PolarHBondContact O-N 2.98Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; R341-C399 PolarHBondContact NH2-O 2.87Å; R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å
342L98.4Very high97.6Very high6 Ų643 Ų433%0.03124%0.235CC..  trans-58.1128.5175.4-69.4167.8000109.7L333 C335 M340 P345 C356 D358 F392 L396L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; M340-L342 PolarHBondContact O-N 2.97Å; L342-P345 HydrophobicContact CD1-CB 4.32Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å
343T97.6Very high97.5Very high99 Ų9943 Ų4361%0.60723%0.232SC*.SBendtrans-103.9-35.4173.1-58.20000110.5R341 D358R341-T343 PolarHBondContact O-N 2.98Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å
344I98.2Very high97.5Very high6 Ų643.4 Ų43.43%0.03124%0.235CC..SBendtrans-133.188.8175.3-51.7166.5000107.7L294 R298 C346 D358 A359 T360 I388L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; I344-C346 PolarHBondContact O-N 2.77Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å
345P98.6Very high97.5Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-65.6116.5-17829.4-35.9000110.2L342 C356 I388 D389 F392 M393 L396L342-P345 HydrophobicContact CD1-CB 4.32Å; P345-C356 HydrophobicContact CB-CB 3.82Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; P345-D389 PolarHBondContact O-N 2.87Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å
346C98.8Very high97.5Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-130.8148.1-173.4-173.80000111.5I344 C356 F357 A359 I387I344-C346 PolarHBondContact O-N 2.77Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; C346-A359 HydrophobicContact CB-CB 3.78Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å
347R98.3Very high97.5Very high13 Ų1341 Ų415%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-153.1164.5167.854-174.3178.1134.21.6109.4S308 H353 F357 I387 D389S308-R347 PolarHBondContact OG-NH2 3.01Å; R347-H353 PolarHBondContact NH1-O 3.16Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å
348A98.4Very high97.6Very high2 Ų238.5 Ų38.52%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-83.1146.6171.300000110.7T350 C351 A381 H385 L386A348-T350 PolarHBondContact O-N 2.72Å; A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; A348-A381 HydrophobicContact CB-CB 3.74Å; A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; A348-L386 HydrophobicContact CB-CD2 4.36Å
349L97.2Very high97.8Very high96 Ų9637.4 Ų37.450%0.50320%0.195SC..THydrogen-bonded Turntrans-54-24.7174-73.7168000113.9C351 H385 I387L349-C351 VanDerWaalsContact C-N 3.35Å; L349-H385 PolarHBondContact N-O 3.19Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å
350T96.6Very high97.9Very high79 Ų7931.8 Ų31.849%0.48517%0.174SC..THydrogen-bonded Turntrans-86.91.617947.80000114.1A348A348-T350 PolarHBondContact O-N 2.72Å
351C97.9Very high97.9Very high11 Ų1128.9 Ų28.97%0.07416%0.16CC..  trans-84.9128179-680000111.6A348 L349 H353A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; L349-C351 VanDerWaalsContact C-N 3.35Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å
352S96Very high98Very high66 Ų6625.9 Ų25.946%0.46215%0.149SC..  trans-87.4-0.3177.856.30000114.2K315K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å
353H96.6Very high98Very high26 Ų2625.6 Ų25.612%0.1215%0.147CC..  trans-97.7157.6176.657.781.4000111.6R347 C351 Q355 C374 V376 C377R347-H353 PolarHBondContact NH1-O 3.16Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; H353-C374 PolarHBondContact NE2-SG 3.43Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å
354L96.7Very high98Very high9 Ų924.8 Ų24.85%0.04714%0.137CC..  trans-88.4-35176.5-172.561.5000112.3I312 L329 V331 C356 F392 F407I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; L354-C356 PolarHBondContact O-N 2.86Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å
355Q98.2Very high97.9Very high33 Ų3327.7 Ų27.715%0.15415%0.151CC..  trans-51.2128.5179-177.96052.400111.8S332 H353 V376S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å
356C98.6Very high97.9Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans-97162.6175.9-710000111.8P336 L342 P345 C346 L354 F392P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; P345-C356 HydrophobicContact CB-CB 3.82Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; L354-C356 PolarHBondContact O-N 2.86Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å
357F98.8Very high97.7Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-123.6160.1168.154.4-100.9000110.2P336 C346 R347 A359 Y362 P375 V376 L386P336-F357 HydrophobicContact CG-CB 4.06Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; F357-A359 PolarHBondContact O-N 3.34Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å
358D98.7Very high97.5Very high7 Ų739.2 Ų39.24%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-76.1125.8-178.7-166.1-85.7000111.6C335 L342 T343 I344 T360 L361 Y362C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; D358-L361 HydrophobicContact CB-CB 4.5Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å
359A98.7Very high97.2Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-59.9-37-18000000113.4L294 L297 I344 C346 F357 I363L294-A359 HydrophobicContact CD1-CB 3.72Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; C346-A359 HydrophobicContact CB-CB 3.78Å; F357-A359 PolarHBondContact O-N 3.34Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å
360T98.2Very high97.1Very high42 Ų4243.5 Ų43.526%0.25822%0.223SC..Hα-helixtrans-63-55.3-176.8-42.10000109.7L294 I344 D358 Y362 I363 Q364L294-T360 HydrophobicContact CD2-CG2 3.98Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; T360-I363 PolarHBondContact O-N 3.04Å; T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å
361L98.1Very high97Very high48 Ų4842.1 Ų42.125%0.25121%0.214SC..Hα-helixtrans-66.2-37.3-178.8-174.560000111.5L337 D358 M365L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; D358-L361 HydrophobicContact CB-CB 4.5Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å
362Y98.7Very high96.9Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-62.5-45176.2-173.4-109000112.9L337 F357 D358 T360 M365 N366 W372 V373 A381 L386L337-Y362 HydrophobicContact CD1-CD2 4.04Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å
363I98.6Very high97.1Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-70.4-43.9178.8-65.9171.1000110F143 L293 L294 L297 A359 T360 M365 N366 E367 Y383F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å; T360-I363 PolarHBondContact O-N 3.04Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; I363-E367 PolarHBondContact O-N 3.44Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å
364Q97.6Very high97.1Very high82 Ų8240.7 Ų40.738%0.38320%0.201SC..Hα-helixtrans-58.5-38.2175.2-74.8173.7-13.100113.2T360 E367 K368T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; Q364-K368 PolarHBondContact O-N 3.36Å
365M97Very high97.2Very high67 Ų6742 Ų4233%0.3321%0.21SC..Hα-helixtrans-63.5-44.2173.6-178.4-178.766.700111.3L337 L361 Y362 I363 E367 K368 K369L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å; M365-K368 PolarHBondContact O-N 3.1Å; M365-K369 PolarHBondContact O-N 2.82Å
366N97.7Very high97.2Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-72.4-23.8179.6-78.9-78.4000113.5F143 Y362 I363 K369 P370 T371 W372F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; N366-K369 CarbonylContact O-C 3.57Å; N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å; N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å
367E95.7Very high97.2Very high70 Ų7044.6 Ų44.633%0.32723%0.229SC..Hα-helixtrans-62.5-46.3171.5-172.7169.7-142.800110.7F143 S289 S290 I363 Q364 M365F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å; I363-E367 PolarHBondContact O-N 3.44Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å
368K93.3Very high97.1Very high186 Ų18650.8 Ų50.881%0.80926%0.262SS*.Hα-helixtrans-72.3-42.1176.3-64.3178.3-179.4177.20112.3Q364 M365Q364-K368 PolarHBondContact O-N 3.36Å; M365-K368 PolarHBondContact O-N 3.1Å
369K92.8Very high97.1Very high130 Ų13055.7 Ų55.757%0.56528%0.283SS*.SBendtrans-145.692.2-177-168.9-173.4179.6-178.40110.2M365 N366 T371M365-K369 PolarHBondContact O-N 2.82Å; N366-K369 CarbonylContact O-C 3.57Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å
370P93.9Very high97Very high58 Ų5861.7 Ų61.738%0.37731%0.309SS..  trans-72.790.7-175.626.8-34.3000111.1N366N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å
371T94.7Very high97Very high50 Ų5059.7 Ų59.731%0.30730%0.297SS..  trans-98-33.5176.157.10000111.8N366 K369 K380N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å; T371-K380 PolarHBondContact O-NZ 3.31Å
372W97.4Very high97Very high30 Ų3058.6 Ų58.611%0.11429%0.293CS..  trans50.951.7-175.3-58.3108.2000112.7P142 F143 Y362 N366 K380 A381 Y383 L386P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å; W372-A381 PolarHBondContact O-N 2.93Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å
373V98.2Very high96.9Very high43 Ų4359.5 Ų59.526%0.26130%0.296SS..BIsolated β-bridgetrans-112.5135.6178.6173.30000109.3Y362 D378Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å
374C98.6Very high96.8Very high0 Ų063.6 Ų63.60%032%0.316CS..  trans-72.6125.9179.3-177.80000110.9H353 V376 C377 D378 K379 A381H353-C374 PolarHBondContact NE2-SG 3.43Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å; C374-C377 PolarHBondContact O-N 3.39Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å; C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C374-A381 HydrophobicContact CB-CB 3.96Å
375P98.2Very high96.8Very high37 Ų3763.4 Ų63.424%0.2431%0.314CS..THydrogen-bonded Turntrans-74.65.5-178.134.9-40.8000115.1L337 F357L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å
376V98.4Very high96.9Very high49 Ų4960.3 Ų60.330%0.29730%0.299SS..THydrogen-bonded Turntrans-112.2-26.7-180177.90000112.1P336 H353 Q355 F357 C374P336-V376 HydrophobicContact CG-CG2 3.76Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å
377C97.9Very high96.9Very high37 Ų3761.6 Ų61.625%0.2531%0.306CS..THydrogen-bonded Turntrans-145.79.6-174.166.70000114.8H353 C374 K379H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å; C374-C377 PolarHBondContact O-N 3.39Å; C377-K379 PolarHBondContact O-N 3.45Å
378D97.7Very high97.1Very high130 Ų13058.5 Ų58.570%0.69529%0.291SS*.  trans547.4178.4-61.3-54000117.2V373 C374V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å
379K97.8Very high97.3Very high110 Ų11049.7 Ų49.748%0.47825%0.253SS..SBendtrans-73.6155.8171.9-65.9174.5-172176.60110.7C374 C377 A381C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C377-K379 PolarHBondContact O-N 3.45Å; K379-A381 PolarHBondContact O-N 2.98Å
380K97Very high97.6Very high126 Ų12643.7 Ų43.755%0.54823%0.228SC..BIsolated β-bridgetrans-59.3128.6174.3-75.6-73.6-1741690111.3T371 W372T371-K380 PolarHBondContact O-NZ 3.31Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å
381A98Very high97.7Very high0 Ų041.1 Ų41.10%021%0.211CC..  trans-13068.6178.100000110A348 Y362 W372 C374 K379A348-A381 HydrophobicContact CB-CB 3.74Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; W372-A381 PolarHBondContact O-N 2.93Å; C374-A381 HydrophobicContact CB-CB 3.96Å; K379-A381 PolarHBondContact O-N 2.98Å
382P97.1Very high97.9Very high26 Ų2638.7 Ų38.717%0.16920%0.196CC..  trans-64.4149.417930.1-35.9000111.3E384 H385 L386P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; P382-L386 PolarHBondContact O-N 3.12Å
383Y98.2Very high97.9Very high19 Ų1940.4 Ų40.48%0.07521%0.207CC..G310 helixtrans-52.8-34.9-176.9176.4-100.9000113.8P142 L293 R296 L297 K300 I363 W372 H385 L386P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; Y383-H385 PolarHBondContact O-N 2.92Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å
384E96.3Very high97.8Very high86 Ų8641.9 Ų41.940%0.40221%0.21SC..G310 helixtrans-59.3-37.9178.6-6765.2-142.200111.3K300 P382K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å; P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å
385H97.4Very high97.7Very high78 Ų7841.9 Ų41.936%0.36121%0.211SC..G310 helixtrans-88.7-5.5-177-64.8-177.8000114.1A348 L349 P382 Y383A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; L349-H385 PolarHBondContact N-O 3.19Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; Y383-H385 PolarHBondContact O-N 2.92Å
386L98.5Very high97.7Very high1 Ų141.4 Ų41.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-67.9133.2177.7-62.7-178.9000111.1L297 A348 F357 Y362 W372 P382 Y383L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; A348-L386 HydrophobicContact CB-CD2 4.36Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å; P382-L386 PolarHBondContact O-N 3.12Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å
387I98.5Very high97.5Very high28 Ų2846.9 Ų46.914%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-125.2154.3171.15576.8000110.7R303 C346 R347 L349 D389R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å; I387-D389 HydrophobicContact CD1-CB 4.46Å
388I98.7Very high97.3Very high5 Ų553.3 Ų53.33%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-93.3127.4168.1-57.7173.8000107L297 R298 I302 R303 I344 P345 G390 M393L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å; I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; I388-G390 PolarHBondContact O-N 3.13Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å
389D98.5Very high97.1Very high0 Ų047.3 Ų47.30%021%0.214CC..EExtended strand (participates in β ladder)trans-86112.1-173.1-159.4-63.1000111.7S308 P345 R347 I387 L391 F392 M393S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å; P345-D389 PolarHBondContact O-N 2.87Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å; I387-D389 HydrophobicContact CD1-CB 4.46Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å
390G97.9Very high96.8Very high4 Ų447 Ų474%0.04122%0.222CC..Hα-helixtrans-62.9-32.7-176.800000114.3R303 I388 M393 E394R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å; I388-G390 PolarHBondContact O-N 3.13Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å
391L97Very high96.5Very high4 Ų445.7 Ų45.72%0.02122%0.22CC..Hα-helixtrans-71.4-41.4-179.8-178.162.2000110.8P305 R309 I312 D389 E394 I395 F407P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; L391-E394 PolarHBondContact O-N 3.48Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å
392F97.8Very high96.3Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-67.7-35.1172.4-80.2-104.3000112V331 L333 L342 P345 L354 C356 D389 E394 I395 L396V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; F392-I395 PolarHBondContact O-N 3.49Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å
393M97.4Very high96.2Very high66 Ų6648.6 Ų48.633%0.32524%0.235SC..Hα-helixtrans-60.1-43173.2-76.9-67.3-57.700112I302 P345 I388 D389 G390 K397I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; M393-K397 PolarHBondContact O-N 3.15Å
394E96.6Very high96.1Very high73 Ų7350.9 Ų50.934%0.34125%0.247SC..Hα-helixtrans-62-52.3173.1-73.7172-178.900110.8P305 R309 G390 L391 F392 L396 K397 Y398P305-E394 WeakPolarHBondContact CG-OE1 3.4Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å; L391-E394 PolarHBondContact O-N 3.48Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; E394-L396 PolarHBondContact O-N 2.98Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å
395I97Very high96.1Very high1 Ų146.8 Ų46.81%0.00523%0.228CC..Hα-helixtrans-62.2-42.3-175.9-68.3164.5000111.9L333 L391 F392 K397 Y398 C399 I405 F407 W413L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; F392-I395 PolarHBondContact O-N 3.49Å; I395-K397 PolarHBondContact O-N 2.9Å; I395-Y398 PolarHBondContact O-N 3.17Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å
396L97Very high96.1Very high26 Ų2645.9 Ų45.914%0.13622%0.223CC..Hα-helixtrans-65.7-21.9177.6-71.5163.4000113.2L333 R341 L342 P345 F392 E394L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å; E394-L396 PolarHBondContact O-N 2.98Å
397K95.5Very high95.9Very high164 Ų16445.9 Ų45.971%0.71322%0.223SC*.Hα-helixtrans-78.9-35.7173.6-175.6-174.8175.5-173.40112.2M393 E394 I395M393-K397 PolarHBondContact O-N 3.15Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; I395-K397 PolarHBondContact O-N 2.9Å
398Y93.7Very high95.6Very high172 Ų17249 Ų4968%0.67524%0.236SC*.Hα-helixtrans-90.3-38.9-177.8-70.7-69000113.6E394 I395E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å; I395-Y398 PolarHBondContact O-N 3.17Å
399C92.4Very high94.8Very high4 Ų455.3 Ų55.33%0.02727%0.265CS..  trans-97.5112.1177.8-176.10000108.9L333 R341 I395 W413L333-C399 HydrophobicContact CD1-CB 4.05Å; R341-C399 PolarHBondContact NH2-O 2.87Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å
400T92.6Very high94Very high105 Ų10560.8 Ų60.864%0.64429%0.294SS*.  trans-114.7-18.6179.152.50000113.3
401D91.3Very high93.1Very high97 Ų9762.1 Ų62.152%0.51931%0.308SS..SBendtrans-114.34-166.670.2-23.9000114.3R417D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å
402C92.6Very high92.8Very high8 Ų865 Ų655%0.05433%0.326CS..  trans-130.9145.5177.1-54.30000111.3R341 P415 R417R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å
403D95.5Very high92.7Very high80 Ų8068.8 Ų68.843%0.42834%0.341SS..SBendtrans-101.4-11-176.7-73.2-23.1000114.1S332 L333 L334 R341S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å; L333-D403 PolarHBondContact N-O 3.39Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å
404E96.6Very high92.5Very high67 Ų6767.2 Ų67.231%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-131.2150.7172.1-75.4-168.7-166.600111.4R330 V331 M416R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å
405I96.5Very high92.4Very high0 Ų066 Ų660%034%0.337CS..EExtended strand (participates in β ladder)trans-134.1153.8172.155.7146.6000110.3R330 V331 L333 I395 F407 W413 A414R330-I405 WeakPolarHBondContact CA-O 3.49Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å
406Q96.1Very high92.1Very high59 Ų5969 Ų6928%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-117.9120.1176.4-174.9-178.53900109.5S328 L329 R330 W413 A414 M416S328-Q406 PolarHBondContact OG-NE2 3.3Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å
407F95.5Very high91.5Very high1 Ų175 Ų750%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-84.4143168.8-66.1-78.1000111.1I312 S328 L329 V331 L354 L391 I395 I405 T412 W413I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; F407-T412 WeakPolarHBondContact CA-O 3.28Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å
408K90.8Very high90.1Very high94 Ų9472.7 Ų72.741%0.40938%0.377SS..EExtended strand (participates in β ladder)trans-110.7166.4176.2-62.2179.9-175.3177.90111.1L316 D410 G411 T412L316-K408 WeakPolarHBondContact CD1-O 3.29Å; K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; K408-G411 PolarHBondContact O-N 2.89Å; K408-T412 PolarHBondContact N-O 3.32Å
409E83.6Confident88.4Confident136 Ų13671.9 Ų71.964%0.63638%0.376SS*.THydrogen-bonded Turntrans-59.8-32.5-176.8-168.6-172.6167.900113.2L316 G411L316-E409 HydrophobicContact CB-CG 4.43Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å
410D81.3Confident86.5Confident115 Ų11580.7 Ų80.762%0.61541%0.414SS*.THydrogen-bonded Turntrans-69.6-3.7174.765.13.5000114.1K408 T412K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å
411G79.2Confident84.4Confident32 Ų3282 Ų8233%0.3341%0.413SS..SBendtrans80.91.4-176.900000114.3K408 E409K408-G411 PolarHBondContact O-N 2.89Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å
412T90.3Very high82.3Confident65 Ų6582.7 Ų82.740%0.39942%0.421SS..  trans-72.8161.217069.30000110.8F407 K408 D410F407-T412 WeakPolarHBondContact CA-O 3.28Å; K408-T412 PolarHBondContact N-O 3.32Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å
413W94.5Very high80Confident80 Ų8090 Ų9030%0.30345%0.454SS..EExtended strand (participates in β ladder)trans-133.6148.5174.260.4-86.6000110.2I395 C399 I405 Q406 F407 P415I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å
414A94Very high77.8Confident32 Ų3294.2 Ų94.226%0.26447%0.471SS..EExtended strand (participates in β ladder)trans-127.9142174.500000110.1I405 Q406I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å
415P94.3Very high75.4Confident49 Ų4996.9 Ų96.932%0.31849%0.492SS..EExtended strand (participates in β ladder)trans-64.1133.2169.5-14.727.5000111.2C402 W413 R417C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å
416M90.7Very high73Confident62 Ų62102.3 Ų102.331%0.30553%0.53SS..  trans-83.788.6173.9-67.4-163.170.100109.7R330 E404 Q406R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å
417R83.6Confident70.4Confident152 Ų152103.9 Ų103.957%0.57455%0.553SS**  trans-84.5120.9167.9-60.3179.2-168.8-90.5-6.1107.6D401 C402 P415 K419D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å; R417-K419 PolarHBondContact O-N 2.76Å
418S67.2Low68.2Low117 Ų117109 Ų10982%0.81859%0.589SS**  trans-60.1109.4170.245.30000108.5K420S418-K420 PolarHBondContact O-N 2.82Å
419K58.2Low65.9Low154 Ų154114.2 Ų114.267%0.6761%0.608SS**  trans-71.786.6175.2-167.2-167-179.9-159.80107.4R417 E421R417-K419 PolarHBondContact O-N 2.76Å; K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å
420K52.6Low64Low190 Ų190115.7 Ų115.783%0.82662%0.62SS**  trans-7272.2168.9-162.1176.6-171.3179.80108S418 V422S418-K420 PolarHBondContact O-N 2.82Å; K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å
421E48.2Very low62.2Low131 Ų131113.7 Ų113.761%0.61263%0.627SS**  trans-69.992174.5-173.1150-128.400107.7K419 Q423K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å; E421-Q423 PolarHBondContact O-N 3.24Å
422V47.7Very low60.7Low113 Ų113118.3 Ų118.369%0.68565%0.648SS**  trans-68.689.9164.7-179.50000105.9K420 E424K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å; V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å
423Q44.5Very low58.5Low161 Ų161122.6 Ų122.675%0.75267%0.669SS**  trans-71.796169.9-172.3169.220.300107.4E421 V425E421-Q423 PolarHBondContact O-N 3.24Å; Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å
424E49.4Very low56Low168 Ų168122.4 Ų122.479%0.78569%0.691SS**  trans-62.796.2168.6-76.1-172.1144.500109.1V422 S426V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å
425V46.2Very low53.5Low124 Ų124126.1 Ų126.175%0.75271%0.714SS**  trans-7192.5168-179.30000107.5Q423 A427Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å; V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å
426S44.5Very low51.1Low114 Ų114131.2 Ų131.280%0.79774%0.738SS**  trans-74.686.9175.220.20000109.8E424 S428E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å; S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å
427A41.3Very low48.7Very low91 Ų91133.1 Ų133.175%0.75276%0.757SS**  trans-71.282.5174.100000111.3V425V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å
428S49.6Very low46.7Very low110 Ų110130.8 Ų130.877%0.76976%0.764SS**  trans-84.8111.1164.7-169.40000109.7S426S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å
429Y43.8Very low45.6Very low203 Ų203130.3 Ų130.380%0.79676%0.757SS**  trans-69157.3176.154-88000111.9
430N42.3Very low45.1Very low166 Ų166129.7 Ų129.789%0.88876%0.76SS**  trans-66131.3-179.3-68.3-42000112.3
431G44.8Very low44.5Very low74 Ų74127.3 Ų127.376%0.76375%0.751SS**  trans-128.8132.5162.500000108.9
432V46.6Very low44.3Very low128 Ų128129 Ų12978%0.77676%0.759SS**  trans-88.8169.8-168-700000114
433D44.9Very low44Very low156 Ų156132.1 Ų132.183%0.83477%0.766SS**  trans93.2130.2159.2-56.3-31000120.9
434G41.3Very low43.8Very low75 Ų75131 Ų13177%0.77377%0.77SS**  trans90.795.315300000117.2
435C42.4Very low43.2Very low111 Ų111127.2 Ų127.275%0.7577%0.768SS**  100.592.760.4179.90000115
436L43Very low43.1Very low155 Ų155127.2 Ų127.281%0.81277%0.773SS**  trans77.2148.7140.7-61.5178.4000123.9
437S40Very low43Very low103 Ų103129.4 Ų129.472%0.7277%0.771SS**  trans83.4104.9155.9-63.60000118
438S42.4Very low43.1Very low102 Ų102134.4 Ų134.471%0.71378%0.778SS**  94.4140.576.275.80000111.3
439T42.9Very low42.7Very low108 Ų108137.4 Ų137.466%0.66378%0.78SS**  cis-172.4166.79.3-5.90000109.7
440L48.2Very low42.7Very low141 Ų141133.5 Ų133.574%0.73878%0.782SS**  trans65.7144.8149.2-65.8162.5000117.3
441E41.4Very low42.6Very low139 Ų139130.6 Ų130.665%0.6578%0.775SS**  cis-152166.9-4.8-84.2141.1-171.300106.3
442H42.1Very low42.5Very low168 Ų168134.6 Ų134.678%0.77878%0.779SS**  -163.7157.851.3-111.192.2000112
443Q41.4Very low42.3Very low177 Ų177138.3 Ų138.383%0.82779%0.785SS**  trans-78.1173.8174.1-59.5167.77.100110.2
444V40.6Very low42.4Very low137 Ų137138.5 Ų138.583%0.8379%0.785SS**  -163.2153.956.4169.60000110.5
445A37.9Very low43Very low90 Ų90144.4 Ų144.474%0.74479%0.79SS**  trans-95.8164.6-176.200000115
446S42.7Very low43.4Very low124 Ų124148.7 Ų148.787%0.86780%0.796SS**  trans-156140.6136.957.60000112.6
447H43Very low44.4Very low160 Ų160147.2 Ų147.274%0.74179%0.793SS**  trans-78.4150174.7-95.4-94.7000111.2
448H42.8Very low45.7Very low196 Ų196150.1 Ų150.191%0.90780%0.795SS**  -157.7141.2122.3-109.7-73.4000111.9
449Q41.9Very low47.1Very low172 Ų172151.4 Ų151.480%0.80480%0.799SS**  trans-85.7140.5-177-63.2167.5-4.500111.4
450S43.1Very low48.6Very low121 Ų121152.4 Ų152.485%0.84680%0.798SS**  trans-146.6124.2148.8-172.50000109.5
451S40.2Very low49.8Very low105 Ų105150.1 Ų150.173%0.73479%0.787SS**  trans-86130.3-175.656.10000111.6
452N43.9Very low51Low159 Ų159150.8 Ų150.885%0.8579%0.794SS**  trans-140.8128.5153.1-102.5-29.6000110.9N454N452-N454 PolarHBondContact O-N 3.28Å
453K41.8Very low52.1Low206 Ų206147.5 Ų147.590%0.89679%0.786SS**  trans-85.696.9-173.3-68.3175.1177.91750110.4
454N47.6Very low52.8Low159 Ų159145.1 Ų145.185%0.8578%0.778SS**  trans-88.1117.6163-77.6-6.6000109.6N452 K456N452-N454 PolarHBondContact O-N 3.28Å; N454-K456 PolarHBondContact O-N 3.17Å
455K53.5Low53.3Low200 Ų200146.2 Ų146.287%0.8778%0.779SS**  trans-62.9122.4165.8-78.1-179.3173.9-179.10107.9V457K455-V457 PolarHBondContact O-N 2.97Å
456K50.8Low53.7Low200 Ų200147.6 Ų147.687%0.8778%0.783SS**  trans-69.4112.5172.8-169.7-177.8-179.3-166.60107.8N454N454-K456 PolarHBondContact O-N 3.17Å
457V64.2Low54.1Low125 Ų125147.2 Ų147.276%0.75878%0.78SS**  trans-75.4127.7169.1176.50000107.4K455K455-V457 PolarHBondContact O-N 2.97Å
458E67.8Low54.1Low163 Ų163144.9 Ų144.976%0.76278%0.782SS**  trans-93.4112.4178.7-168.8156.4-131.300108.5I460E458-I460 HydrophobicContact CG-CG1 4.48Å
459V72.4Confident54.5Low130 Ų130143.3 Ų143.379%0.78878%0.78SS**  trans-93.7108.9179.4179.40000107.7
460I74.3Confident54.9Low128 Ų128143.1 Ų143.166%0.65678%0.779SS**  trans-94.3110.1176.2-59.5170.6000107.6E458 L462E458-I460 HydrophobicContact CG-CG1 4.48Å; I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å
461D72.6Confident55.2Low94 Ų94147 Ų14750%0.50378%0.784SS.*  trans-83.7114.5173-168.7-18.3000109.4T463D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å
462L66.1Low55.5Low152 Ų152150.9 Ų150.980%0.79679%0.791SS**THydrogen-bonded Turntrans-91.415.3179.3-63.3174.8000112.7I460I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å
463T66.1Low55.6Low100 Ų100152.8 Ų152.861%0.61380%0.795SS**THydrogen-bonded Turntrans-101.47.9179.767.90000114.6D461D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å
464I55.9Low55.9Low127 Ų127151.9 Ų151.965%0.65179%0.794SS**  trans-102.577.7172.249.8161.7000111.4S466I464-S466 PolarHBondContact O-N 3.02Å
465D51.3Low55.5Low159 Ų159149.2 Ų149.285%0.8579%0.785SS**  trans-66.6101.4168.3-78.6-41.3000110.1S467D465-S467 PolarHBondContact O-N 3.17Å
466S45.8Very low54.9Low119 Ų119145.3 Ų145.383%0.83278%0.783SS**  trans-77106.7174-67.20000110.5I464I464-S466 PolarHBondContact O-N 3.02Å
467S51.2Low54.6Low116 Ų116139.7 Ų139.781%0.81177%0.774SS**  trans-149.595.7174.8169.60000111.2D465D465-S467 PolarHBondContact O-N 3.17Å
468S43.5Very low53.6Low111 Ų111142.8 Ų142.878%0.77678%0.777SS**  trans-167.278.3158.4-169.20000111
469D50Low52.3Low163 Ų163146.5 Ų146.587%0.87278%0.784SS**  trans-92.2103.7161.2-89.6-27.9000108.3
470E50.6Low50.7Low168 Ų168146.2 Ų146.279%0.78578%0.783SS**  trans-155114164.1-71.2-70154.800107.2
471E49.3Very low49.1Very low202 Ų202145.8 Ų145.894%0.94479%0.79SS**  trans-169.8137.2135.1-108175.7-146.400111.5
472E45.9Very low47.6Very low188 Ų188146.9 Ų146.988%0.87980%0.802SS**  trans-76.6150.2-159-54169.6127.300114.7
473E47.2Very low46Very low199 Ų199144.6 Ų144.693%0.9380%0.799SS**  trans-134138.5151.9-154.2177.6-176.600111
474E48Very low45.1Very low187 Ų187148.2 Ų148.287%0.87481%0.814SS**  trans-79.4170.1-162.9-107.4-114.5121.900115
475P39.2Very low44.2Very low103 Ų103147 Ų14767%0.66982%0.817SS**  trans-113.3170.6-137.741.6-38.7000116.2
476S41.2Very low44.3Very low117 Ų117145.1 Ų145.182%0.81881%0.813SS**  trans-144.7115.2162.358.20000116.3
477A44.4Very low44.1Very low82 Ų82145.8 Ų145.868%0.67881%0.812SS**  trans47.5110.2141.400000123.3
478K42.5Very low43.8Very low191 Ų191145.1 Ų145.183%0.8381%0.807SS**  66.8109.8126.9-58.8171.6-175.7173.50120.2
479R41.6Very low43.9Very low240 Ų240145.3 Ų145.391%0.90681%0.806SS**  158.8114.2123.6-83.4158.6-163.1-174.57.6108.9
480T38.6Very low43.4Very low124 Ų124144.2 Ų144.276%0.76180%0.799SS**  99.4110.458.5-66.30000113.4
481C40.6Very low43Very low119 Ų119143.8 Ų143.880%0.80480%0.802SS**  trans76.3159.2154-70.90000121.2
482P39.8Very low42.6Very low118 Ų118139 Ų13977%0.76678%0.783SS**  cis-142.5176.3-44.940.4-23.7000115.1
483S33Very low42.4Very low104 Ų104139 Ų13973%0.72778%0.78SS**  trans-74.7153.6173172.30000114.3
484L47.8Very low42Very low176 Ų176132.7 Ų132.792%0.92177%0.769SS**  trans-137.8129.3160.8-80.7172.5000110.9
485S36.5Very low41.7Very low102 Ų102131.1 Ų131.171%0.71377%0.765SS**  trans-141.5142.4167.859.70000110.5
486P54.5Low41.8Very low119 Ų119133.6 Ų133.677%0.77377%0.772SS**  trans-101.2107.4178.433.5-27.4000113.5
487T41.1Very low41.7Very low132 Ų132133.2 Ų133.281%0.8177%0.769SS**  trans41.1122.813054.50000121.9
488S43.6Very low41.1Very low103 Ų103136.8 Ų136.872%0.7278%0.776SS**  trans-77.7-173.2157.954.20000112.7
489P45.6Very low41.2Very low114 Ų114132.9 Ų132.974%0.7477%0.77SS**  -151.4145.4103.836.8-18.7000118.9
490L40.7Very low41.1Very low141 Ų141129 Ų12974%0.73876%0.762SS**  trans47126137.5-7966.1000122.7
491N41.4Very low41Very low159 Ų159131 Ų13185%0.8576%0.762SS**  -142.9146.8102.6-15911000113.2
492N40.8Very low40.8Very low102 Ų102129.8 Ų129.855%0.54576%0.762SS.*  trans-76.7170.4-175-81.9-47.1000113.6
493K43.1Very low40.6Very low186 Ų186129.6 Ų129.681%0.80976%0.763SS**  cis-166.7156.38.2-119.8158-164.9178.90110.4
494G38.8Very low41Very low67 Ų67130.9 Ų130.969%0.69177%0.769SS**  trans118.990.9162.200000115.1
495I40.7Very low40.8Very low154 Ų154128.5 Ų128.579%0.7976%0.761SS**  63.2104.368.4-60.3170.4000110.4
496L42Very low40.8Very low156 Ų156129.4 Ų129.482%0.81777%0.768SS**  -150.6140.366.5-83.9167000116.7
497S37.9Very low40.2Very low109 Ų109135 Ų13576%0.76277%0.773SS**  trans36.1116.114655.90000124.7
498L33.6Very low40Very low156 Ų156134.8 Ų134.882%0.81777%0.772SS**  trans-68.2177.5150.2-121.574.9000111.9
499P42.8Very low40.1Very low110 Ų110136 Ų13671%0.71478%0.777SS**  cis-153.2165.247.442.6-21.4000120.7
500H40.2Very low39.8Very low157 Ų157136 Ų13673%0.72778%0.78SS**  trans57.2146.9147.5-80.716.6000119.9
501Q36.1Very low39.8Very low166 Ų166137.1 Ų137.178%0.77679%0.786SS**  cis-157.6170.77-139.5179.427.800110.6
502A36.6Very low40.1Very low95 Ų95134.8 Ų134.879%0.78578%0.78SS**  trans76.8134159.600000121.1
503S36.5Very low39.8Very low114 Ų114134.9 Ų134.980%0.79780%0.795SS**PPolyproline II helixtrans-47.8144.3-174.3-46.60000118.8
504P40.8Very low39.8Very low130 Ų130132.8 Ų132.884%0.84480%0.797SS**PPolyproline II helixtrans-86.4120169.133.5-30.4000112.3
505V43.9Very low39.6Very low126 Ų126136.6 Ų136.676%0.76480%0.802SS**PPolyproline II helixtrans-78.9134.8162174.50000109.1R507V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å
506S37Very low39.2Very low122 Ų122134.8 Ų134.885%0.85380%0.798SS**  trans-51.9114.9178.9-57.10000112.7
507R40.7Very low38.8Very low236 Ų236131.7 Ų131.789%0.89179%0.789SS**  trans-128.9148.8168.4-75.1-170175.3-168.3-0.1111.1V505V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å
508T37.5Very low38.7Very low127 Ų127137.8 Ų137.878%0.77980%0.797SS**PPolyproline II helixtrans-58.8148.5-174.941.60000114.3S510T508-S510 PolarHBondContact O-N 3.31Å
509P46.4Very low38.8Very low129 Ų129137.8 Ų137.884%0.83880%0.796SS**PPolyproline II helixtrans-70.8119.8170.630-32.8000110.8
510S39.5Very low38.2Very low113 Ų113139.3 Ų139.379%0.7980%0.799SS**PPolyproline II helixtrans-78.1142.9167.642.90000111T508T508-S510 PolarHBondContact O-N 3.31Å
511L39.4Very low37.8Very low165 Ų165138.1 Ų138.186%0.86480%0.803SS**PPolyproline II helixtrans-71.8144.6172.2-73.9160.7000110.6
512P47Very low37.8Very low111 Ų111134.5 Ų134.572%0.72180%0.795SS**PPolyproline II helixtrans-73.4141.4169.431.4-33.3000110.6
513A35.8Very low37.9Very low104 Ų104137.7 Ų137.786%0.8680%0.799SS**PPolyproline II helixtrans-71.2140.9168.700000110.4
514V42.4Very low38Very low141 Ų141138.7 Ų138.786%0.85579%0.794SS**  trans-119.5135165.2176.20000107.2
515D35.6Very low37.7Very low148 Ų148140 Ų14079%0.79179%0.788SS**  trans-80.3178.7-165.3-145.2-26.5000113.7
516T30.9Very low37.3Very low115 Ų115140 Ų14071%0.70678%0.784SS**  trans-81.6167.3-157-45.10000113.2
517S34.1Very low37.3Very low92 Ų92144.3 Ų144.364%0.64378%0.783SS**  trans78.1107.5167.275.60000117.1
518Y36.6Very low37Very low237 Ų237144.4 Ų144.493%0.92978%0.784SS**  -158.8135108.7-98.6-70.9000109.9
519I35.2Very low37Very low155 Ų155145.1 Ų145.180%0.79578%0.778SS**  trans-84.8134.7-175.7-65.5159.6000109.5
520N30.1Very low36.4Very low143 Ų143144 Ų14477%0.76577%0.77SS**  -155.4113.1129.8-147.5-15.4000112.8
521T32Very low36.3Very low132 Ų132146.9 Ų146.981%0.8177%0.769SS**  trans-118.1110.9173.2-42.30000107.2
522S35.2Very low36Very low89 Ų89147 Ų14762%0.62277%0.765SS**  trans-159.1150.7175.9-67.20000109.8
523L39.7Very low35.2Very low163 Ų163150.1 Ų150.185%0.85377%0.772SS**  trans77.399.8-169.8-51.2175.2000113.6
524I38.8Very low35.2Very low135 Ų135151.5 Ų151.569%0.69277%0.769SS**  cis61.6119.514.3-57.2-177.9000110
525Q34.9Very low34.8Very low156 Ų156150.4 Ų150.473%0.72977%0.765SS**  cis-158.3168.325.8-130.8154.1-29.800111
526D35.7Very low35Very low127 Ų127152 Ų15268%0.67977%0.77SS**  trans53.2110.8148.9-55.2-31.3000121.7
527Y35.9Very low35.3Very low213 Ų213151.3 Ų151.384%0.83577%0.768SS**  -153.3108.6120-112.2-73.7000110.2H529Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å
528R33.8Very low35.3Very low238 Ų238156.7 Ų156.790%0.89878%0.775SS**  trans-131.297.2175.4-158.5179.9-166.2165.34.2109.2
529H37.2Very low35.3Very low142 Ų142150.8 Ų150.866%0.65776%0.76SS**  trans-115.5122.7171.3-84.4-55.4000110.5Y527Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å
530P33.8Very low35.5Very low104 Ų104151.9 Ų151.968%0.67577%0.766SS**  trans-105.1113.3174.934.6-24.8000110.9
531F37.6Very low35.8Very low174 Ų174153.1 Ų153.176%0.76377%0.767SS**  trans-139.9114.6169.2-73.8-68.3000114
532H34.2Very low35.8Very low168 Ų168150 Ų15078%0.77876%0.761SS**  trans42.1111.5145.9-84.1-86.3000121
533M29.3Very low36Very low177 Ų177154 Ų15487%0.87278%0.775SS**  trans-69.7140.7148.8-74.1-80.2109.400110.9
534T36.6Very low35.7Very low132 Ų132153.3 Ų153.381%0.8177%0.772SS**  trans-128.3127.5157.736.30000109
535P33.4Very low35.7Very low118 Ų118156 Ų15677%0.76678%0.779SS**  trans-94.1141.5-179.135.3-32.3000111.8
536M39.7Very low35.6Very low181 Ų181158.8 Ų158.889%0.89279%0.789SS**  trans-150.5157.8165.5-87.3-45.7-92.300110.4
537P38Very low35.6Very low101 Ų101158 Ų15866%0.65679%0.791SS**  -123.2-174.9-122.242.6-33.4000115.9
538Y34Very low35.6Very low206 Ų206156.4 Ų156.481%0.80879%0.789SS**  trans-25.9141.6157.3-80.3-107.7000113.1
539D35.4Very low35.9Very low113 Ų113153 Ų15360%0.60479%0.787SS**  cis-170.8142.647.3-126.7-39.6000110
540L39.5Very low35.6Very low177 Ų177151.4 Ų151.493%0.92779%0.793SS**  trans-157.8105144.3-155.271.2000110.4
541Q37.1Very low35.7Very low169 Ų169149.3 Ų149.379%0.7979%0.79SS**  trans-80157.3177.7-62.9174.6-7.600112
542G32.5Very low35.6Very low66 Ų66148.1 Ų148.168%0.6879%0.791SS**  trans107.296152.200000116.2
543L38.7Very low35.6Very low174 Ų174146 Ų14691%0.91179%0.786SS**  -174.3100104.4-93.9172.1000109.7
544D34Very low35.9Very low149 Ų149144.5 Ų144.580%0.79778%0.777SS**  trans-70.3148.9170.1-67.2-71.6000112.1
545F37.6Very low35.9Very low191 Ų191145.4 Ų145.484%0.83877%0.771SS**  trans-167.598.1141.4-98.4-65.3000110.3
546F33.9Very low36Very low215 Ų215149.6 Ų149.694%0.94377%0.773SS**  trans-179.6117.9145.6-88-56.5000110.3
547P36.4Very low35.6Very low111 Ų111149 Ų14972%0.72177%0.774SS**  trans-119146.2166.836.4-26.1000113.9
548F35Very low35.5Very low178 Ų178150.5 Ų150.578%0.78178%0.781SS**  trans63.8130.1156.6-93.6-116.3000117.9
549L39.3Very low35.6Very low166 Ų166145.9 Ų145.987%0.86978%0.779SS**  -145.9143.159.4-87.5157.8000113.7
550S31.8Very low35.5Very low110 Ų110148.5 Ų148.577%0.76979%0.792SS**  trans-92.6161.8170.6-55.50000112
551G36.2Very low35.2Very low59 Ų59148.7 Ų148.761%0.60879%0.793SS**  trans136.595.5174.700000110
552D34.7Very low34.9Very low149 Ų149145.6 Ų145.680%0.79780%0.797SS**  80.7133.993.3-85.5-44.7000112.7
553N34.2Very low34.9Very low124 Ų124147.6 Ų147.666%0.66381%0.806SS**  cis-163.7168.6-12.9-154-39.2000108.9
554Q35.1Very low34.6Very low145 Ų145144.3 Ų144.368%0.67881%0.805SS**  trans75.6118.7155.2-59.5-167.5-6.700123
555H37.2Very low34.7Very low151 Ų151141.9 Ų141.970%0.69981%0.805SS**  trans106.5135.1132.2-70-36.7000122.4
556Y35.6Very low34.4Very low207 Ų207138 Ų13881%0.81281%0.809SS**  trans65.892.1171.1-65.1-73.6000120.2
557N32.3Very low34.6Very low168 Ų168132.3 Ų132.390%0.89880%0.801SS**  trans-14997.8145.7-111.8-46.8000110
558T34.3Very low34.6Very low133 Ų133133.6 Ų133.682%0.81681%0.807SS**  trans-150.989.8176.1-51.10000111.1
559S36.8Very low34.7Very low109 Ų109130.4 Ų130.476%0.76281%0.806SS**  trans174.39715144.60000113.4
560L34.4Very low34.7Very low168 Ų168130.1 Ų130.188%0.8881%0.806SS**SBendtrans154.975138.9-10787.7000111.8
561L33.1Very low35.2Very low181 Ų181132.8 Ų132.895%0.94881%0.811SS**  trans-170.767.7158-115.5153.1000112.9
562A30.4Very low35.1Very low104 Ų104137.5 Ų137.586%0.8682%0.817SS**  trans-16588.2167.500000111.7
563A31.6Very low35.2Very low107 Ų107136.2 Ų136.288%0.88481%0.811SS**  trans-165.558.2171.100000113.3
564A33.6Very low35.2Very low106 Ų106136.8 Ų136.888%0.87681%0.813SS**SBendtrans-166.657.3169.700000113.4
565A35.5Very low35.3Very low98 Ų98136 Ų13681%0.8181%0.813SS**SBendtrans-156.6138.6167.800000112
566A32.3Very low35.1Very low110 Ų110137.2 Ų137.291%0.90982%0.818SS**  trans56.298.5164.700000118.5
567A36.3Very low35Very low95 Ų95132.5 Ų132.579%0.78582%0.816SS**  trans-134.1159.1146.300000108
568V37.6Very low34.8Very low138 Ų138129.4 Ų129.484%0.83681%0.807SS**  trans71.681.4-170-161.40000111.6
569S37.7Very low34.9Very low110 Ų110134.3 Ų134.377%0.76981%0.811SS**  85.5123.769.1-66.90000113
570D37.6Very low34.9Very low161 Ų161137.1 Ų137.186%0.86181%0.809SS**  trans-53.9143.7170.9-64.1-86.8000112.7
571D42.3Very low35.1Very low165 Ų165138.1 Ų138.188%0.88281%0.807SS**  -145.8154.6117.8-140.9-40.7000109.7
572Q34.1Very low35.4Very low158 Ų158134.1 Ų134.174%0.73879%0.792SS**  trans-103.3177.6-166.3-160.1167.1-4.300111
573D36.8Very low35.7Very low123 Ų123139.7 Ų139.766%0.65879%0.792SS**  trans88.8122.7149.6-83.7-19.6000122.6
574L35.5Very low35.9Very low135 Ų135139.2 Ų139.271%0.70778%0.779SS**  trans87.8107.5134.2-65.3168.1000121.8
575L36.8Very low35.8Very low130 Ų130139.3 Ų139.368%0.68177%0.773SS**  83.9108.7129.4-60.3174.8000121.1
576H33.3Very low35.9Very low175 Ų175140.4 Ų140.481%0.8177%0.774SS**  48.1144114.9-71.6103.2000122.8
577S32.4Very low36Very low109 Ų109143.8 Ų143.876%0.76277%0.771SS**  trans93.592.6155.9-61.30000119.2
578S29.3Very low36.2Very low102 Ų102148.4 Ų148.471%0.71378%0.779SS**  trans-17.3138.9136.547.40000118.9
579R36.5Very low36Very low236 Ų236149.8 Ų149.889%0.89177%0.774SS**  trans-169.6115.2137-96.5152.6-161.3-148.86.7108.4
580F37Very low36Very low168 Ų168152 Ų15274%0.73778%0.777SS**  65.7107.988.1-88.3-76.1000115.3
581F37.9Very low35.9Very low190 Ų190149.9 Ų149.983%0.83377%0.765SS**  171.9166.7102.7-85.6-55.9000112.1
582P39.8Very low35.7Very low97 Ų97150.6 Ų150.663%0.6376%0.763SS**  trans-130.3-179.8-152.739.7-20.3000114.7
583Y35.8Very low35.6Very low221 Ų221150.8 Ų150.887%0.86777%0.769SS**  trans-17196.2154.6-119.3-87000107.9
584T35.9Very low35.6Very low97 Ų97151 Ų15160%0.59578%0.78SS**  57.197.68569.20000116.7
585S31.3Very low35.7Very low108 Ų108149.7 Ų149.776%0.75579%0.788SS**  trans30.7135.613660.60000122.2
586S38.1Very low35.7Very low120 Ų120147.5 Ų147.584%0.83980%0.797SS**  -167.6145.9114.2-810000113
587Q34.8Very low35.8Very low181 Ų181142.4 Ų142.485%0.84679%0.791SS**  trans-72.2149.7160.5-63.2171.1-51.100109.6
588M39.6Very low36.1Very low193 Ų193142.6 Ų142.695%0.95179%0.793SS**  trans-150.4147.8142.4-94.4-50.6141.900111.6
589F33.9Very low36.7Very low166 Ų166145.1 Ų145.173%0.72880%0.804SS**  trans-105.8139.9-180177.4-80.8000108.1
590L38.1Very low36.8Very low158 Ų158138.7 Ų138.783%0.82780%0.795SS**  trans-153.9113.9163.9-153.674000112.8
591D35.2Very low36.9Very low116 Ų116138.6 Ų138.662%0.6280%0.802SS**  trans-67.3150.2159.5-89-57.6000111.1
592Q36.8Very low37Very low180 Ų180134.3 Ų134.384%0.84179%0.793SS**  trans-146.898.8149.6-140.5169.767.900112.7
593L33.2Very low36.8Very low162 Ų162135.6 Ų135.685%0.84880%0.799SS**  trans-76.3140.1157.4-77.3161.1000109.2
594S36.6Very low37Very low128 Ų128132.1 Ų132.190%0.89580%0.801SS**  trans-154.7142.1153.4-131.30000111
595A36.6Very low37.1Very low107 Ų107135.5 Ų135.588%0.88482%0.815SS**  trans-122.5163.3-166.700000112.6
596G37.7Very low37.5Very low84 Ų84134.1 Ų134.187%0.86682%0.819SS**  trans119.9133.7172.800000112.8
597G35.8Very low37.5Very low67 Ų67134.5 Ų134.569%0.69182%0.821SS**  cis-177.6150.4-6.400000112.4
598S38.2Very low37.9Very low114 Ų114131.8 Ų131.880%0.79782%0.822SS**  trans36.2117.3152.158.10000120.7
599T41.2Very low37.9Very low154 Ų154128.6 Ų128.695%0.94582%0.819SS**  -159.6154.1115.99.70000111.1
600S39.8Very low38.4Very low101 Ų101124.4 Ų124.471%0.70682%0.822SS**  trans-110.2155.1-167.747.30000112.7
601L39.6Very low38.5Very low167 Ų167122 Ų12287%0.87482%0.819SS**  166.6147.3124.5-87.4158000111.9
602P39.1Very low38.6Very low100 Ų100124 Ų12465%0.64983%0.83SS**  trans-117.7179.3-172.843.5-34.6000115.8
603T36.4Very low38.8Very low124 Ų124121.5 Ų121.576%0.76183%0.832SS**  trans70.6124.2161.662.70000120.3
604T40.2Very low38.9Very low147 Ų147118.8 Ų118.890%0.90283%0.827SS**  -179.8165.1108.629.30000112.7
605N37.8Very low39.3Very low168 Ų168120.9 Ų120.990%0.89883%0.827SS**  trans-74.2157.9-171.2-70.5-28.8000115.3
606G39.4Very low39.5Very low80 Ų80122.1 Ų122.183%0.82582%0.823SS**  trans-167.2103.7162.800000112.9
607S37.2Very low39.6Very low128 Ų128123.9 Ų123.990%0.89582%0.822SS**  trans-96135.3177.8-54.40000111.6
608S44.3Very low39.7Very low123 Ų123125.8 Ų125.886%0.8683%0.825SS**  trans-154.8128.5161.159.20000112.2
609S39.5Very low40.1Very low126 Ų126128.8 Ų128.888%0.88183%0.832SS**  trans-89153.8-179.441.30000113.2
610G43.8Very low39.8Very low78 Ų78126.9 Ų126.980%0.80483%0.825SS**  trans-154.6133.117200000110.9
611S40.3Very low39.9Very low108 Ų108129.5 Ų129.576%0.75583%0.83SS**  trans-111.2151.6-158.9-570000115.3
612N36.9Very low39.8Very low158 Ų158131.3 Ų131.385%0.84583%0.826SS**  trans28.4133.6143.7-61.2-10.3000121.4
613S40.2Very low39.8Very low127 Ų127133 Ų13389%0.88883%0.825SS**  -162.2143.8116.749.50000113
614S37.1Very low39.8Very low105 Ų105131 Ų13173%0.73482%0.816SS**  trans-111.8159.1175.753.90000110.4
615L44.3Very low39.8Very low173 Ų173132.7 Ų132.791%0.90681%0.813SS**  trans-134.2126.8164.9-75.3177000111.3
616V40.1Very low39.6Very low132 Ų132129 Ų12980%0.880%0.801SS**  trans-129.8133.9168.8-175.90000106
617S40.7Very low39.6Very low121 Ų121134.7 Ų134.785%0.84681%0.805SS**  trans-114.5113.3-179-62.70000111.4
618S38.4Very low39.2Very low108 Ų108134.8 Ų134.876%0.75580%0.801SS**  trans-127.5120.9170.2-65.80000108.3
619N45Very low38.9Very low177 Ų177135 Ų13595%0.94780%0.796SS**  trans-107130.5173.9-96.3-4.8000110.7
620S36Very low38.7Very low113 Ų113135 Ų13579%0.7979%0.791SS**  trans-155.6112.6173.9178.70000110.9
621L41.5Very low38.1Very low157 Ų157138.8 Ų138.882%0.82279%0.793SS**  trans-148.9126.7160.2-70.6178.4000105.2
622R38.6Very low37.9Very low205 Ų205145.7 Ų145.777%0.77480%0.802SS**  60.5132.572.5-77.6-180165.8-119.79.2112
623E37.8Very low37.6Very low136 Ų136143.5 Ų143.564%0.63680%0.799SS**  cis-159.31659.9-149.9142.4143.700112.7
624S36.8Very low37.5Very low81 Ų81143.4 Ų143.457%0.56680%0.799SS**  trans43.3120.814860.50000123.1
625H40.3Very low37.3Very low183 Ų183144 Ų14485%0.84780%0.798SS**  178.3161.392.7-93-64.2000113.5
626S33.5Very low36.9Very low91 Ų91142.1 Ų142.164%0.63679%0.789SS**  trans-108.8139.4-167.152.40000113.8
627H38.6Very low36.7Very low199 Ų199142.5 Ų142.592%0.92179%0.792SS**  trans-145.7122.8152-87.8-71.2000112.6
628T30.4Very low36.2Very low130 Ų130141.6 Ų141.680%0.79879%0.792SS**  trans-88152.5165.6-32.20000109
629V36.3Very low36.1Very low127 Ų127141.3 Ų141.377%0.7779%0.79SS**  trans175.1124.1136.1144.80000114.5
630T36.3Very low35.5Very low125 Ų125140.8 Ų140.877%0.76779%0.785SS**  trans55.1125.4152.261.60000125.5
631N30.8Very low35.6Very low158 Ų158144.7 Ų144.785%0.84579%0.788SS**  trans-31.6148143.2-73.4-21.6000116.3
632R35.4Very low35.3Very low253 Ų253140.3 Ų140.396%0.95578%0.781SS**  -150144.9122.4-115.4175.2-176.8-166.4-0.3111.9
633S31.7Very low35.3Very low112 Ų112138.7 Ų138.778%0.78379%0.786SS**  trans-101.8140.6-178.1510000111.4
634S37.4Very low35.6Very low125 Ų125139 Ų13987%0.87479%0.791SS**  trans-146.4136.8154.12.50000109.4
635T33.8Very low36Very low117 Ų117140.2 Ų140.272%0.71880%0.797SS**  trans-76.1155.1171.949.20000110
636D35.2Very low36.1Very low135 Ų135138.6 Ų138.672%0.72279%0.794SS**  179.6153.4103.9-90.6-15.9000115
637T35.1Very low36.6Very low140 Ų140142.2 Ų142.286%0.85981%0.805SS**  trans56.9149.4152.252.60000122.4
638A30.7Very low37.2Very low102 Ų102139.2 Ų139.284%0.84379%0.794SS**  trans-101.2149.8-173.500000111.8
639S35.9Very low37.7Very low102 Ų102138.2 Ų138.271%0.71379%0.792SS**  trans-144.1117.6161.359.40000110.3
640I33.5Very low38.3Very low166 Ų166139.4 Ų139.485%0.85179%0.794SS**  trans-72.8125167.3-65160.9000107.1
641F37.8Very low38.4Very low194 Ų194144.6 Ų144.685%0.85182%0.817SS**  trans-139.7137.6163.8-89.9-74.1000112.1
642G35.3Very low38.7Very low66 Ų66144 Ų14468%0.6882%0.815SS**  trans-80.4176.7-173.900000114.1I644G642-I644 PolarHBondContact O-N 3.25Å
643I39.3Very low38.9Very low170 Ų170138.2 Ų138.287%0.87281%0.808SS**  trans-83.4108-179.1-62.2166.8000108.7
644I42.8Very low39.3Very low143 Ų143139.7 Ų139.773%0.73381%0.809SS**PPolyproline II helixtrans-79.6130165.1-59.4172.5000107.9G642G642-I644 PolarHBondContact O-N 3.25Å
645P45.2Very low39.4Very low107 Ų107140.5 Ų140.570%0.69581%0.806SS**PPolyproline II helixtrans-86.5121.7164.831.6-26.8000109.9I647P645-I647 PolarHBondContact O-N 3.32Å
646D42.2Very low39.8Very low149 Ų149142 Ų14280%0.79781%0.811SS**PPolyproline II helixtrans-59126176.6-65.1-55.9000111.7
647I44.7Very low40.1Very low167 Ų167142.5 Ų142.586%0.85682%0.817SS**  trans-88.3112165-65.1173.7000106.9P645P645-I647 PolarHBondContact O-N 3.32Å
648I51.1Low40.4Very low136 Ų136142.6 Ų142.670%0.69781%0.814SS**  trans-92113.1168.9-61.7175.3000107.1L650I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å
649S40.4Very low41.2Very low108 Ų108145.8 Ų145.876%0.75581%0.812SS**  trans-71.6137.7163.5-1570000109.1
650L48.7Very low41.6Very low153 Ų153149.4 Ų149.480%0.80182%0.82SS**  trans-125.3114.8171.3-74.2173.1000108I648I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å
651D38.5Very low42.4Very low234 Ų234147.9 Ų147.9100%1.25182%0.817SS**  trans-65.20152-67.7-49.8000110.7

Retrieved 651 of 651 residues in 215.4 ms (Link to these results)

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