A0A4W5RPB3_9TELE Loading...

Phosphoribosyl pyrophosphate synthetase associated protein 1

AlphaFold DB , UniProt , Accession A0A4W5RPB3, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 374 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
1M33.8Very low64.3Low238 Ų23892.4 Ų92.4100%1.17249%0.49SS*.  0120.20-76.2171-169.200107.1I3M1-I3 PolarHBondContact O-N 2.85Å; M1-I3 VanDerWaalsContact O-N 3.16Å
2N28.8Very low67.1Low172 Ų17285.6 Ų85.692%0.9246%0.455SS*.  trans-64.5113.3-175.4-85.6-26.7000110.1S4N2-S4 PolarHBondContact O-N 3.16Å
3I39.7Very low69.3Low147 Ų14779 Ų7975%0.75442%0.42SS*.  trans-6587.5164.6-59.7164.2000105.7M1 K5M1-I3 PolarHBondContact O-N 2.85Å; M1-I3 VanDerWaalsContact O-N 3.16Å; I3-K5 PolarHBondContact O-N 2.77Å; I3-K5 VanDerWaalsContact O-N 3.07Å
4S39.7Very low71.1Confident100 Ų10074.1 Ų74.170%0.69939%0.394SS*.  trans-55.2117.6160.756.90000105.4N2 S6N2-S4 PolarHBondContact O-N 3.16Å; S4-S6 PolarHBondContact O-N 3.07Å
5K50.3Low72.3Confident191 Ų19172.7 Ų72.783%0.8339%0.392SS*.  trans-45.9103.8175.8-76175.6175.6175.70107.9I3 G7I3-K5 PolarHBondContact O-N 2.77Å; I3-K5 VanDerWaalsContact O-N 3.07Å; K5-G7 PolarHBondContact O-N 3.19Å
6S58.2Low73.4Confident30 Ų3072.8 Ų72.821%0.2140%0.397CS..  trans-52.1127.6171.153.60000106.2S4 Y8S4-S6 PolarHBondContact O-N 3.07Å; S6-Y8 PolarHBondContact O-N 3.48Å; S6-Y8 PolarHBondContact OG-O 3.45Å
7G79.1Confident74Confident42 Ų4274.2 Ų74.243%0.43341%0.408SS..SBendtrans-64.3-2.6-179.800000113.3K5 H358K5-G7 PolarHBondContact O-N 3.19Å; G7-H358 VanDerWaalsContact C-CE1 3.47Å
8Y89Confident74.6Confident18 Ų1873 Ų737%0.07141%0.41CS..EExtended strand (participates in β ladder)trans-125.2160.4178.568.3-80.4000113S6 V10 L30 V32 D59 F61 I354 H358S6-Y8 PolarHBondContact O-N 3.48Å; S6-Y8 PolarHBondContact OG-O 3.45Å; Y8-V10 HydrophobicContact CD2-CG2 3.83Å; Y8-V10 HydrophobicContact CE2-CG2 3.7Å; Y8-L30 HydrophobicContact CE2-CD1 4.19Å; Y8-V32 HydrophobicContact CE2-CG1 4.44Å; Y8-V32 HydrophobicContact CE2-CG2 4.46Å; Y8-D59 CarbonylContact C-O 3.5Å; Y8-D59 WeakPolarHBondContact CA-O 3.36Å; Y8-D59 VanDerWaalsContact CB-O 3.31Å; Y8-D59 WeakPolarHBondContact CB-O 3.34Å; Y8-F61 AromaticContact CD2-CD2 3.74Å; Y8-F61 HydrophobicContact CD2-CD2 3.74Å; Y8-F61 AromaticContact CD2-CE2 3.84Å; Y8-F61 HydrophobicContact CD2-CE2 3.84Å; Y8-F61 HydrophobicContact CG-CD2 4.22Å; Y8-F61 AromaticContact CG-CE2 3.94Å; Y8-F61 HydrophobicContact CG-CE2 3.94Å; Y8-I354 HydrophobicContact CD2-CG2 4.42Å; Y8-I354 HydrophobicContact CE2-CG2 4.05Å; Y8-H358 HydrophobicContact CD1-CB 4.17Å; Y8-H358 AromaticContact CD1-CD2 3.33Å; Y8-H358 WeakPolarHBondContact CD1-CD2 3.07Å; Y8-H358 AromaticContact CD1-CE1 3.79Å; Y8-H358 AromaticContact CD1-CG 3.46Å; Y8-H358 VanDerWaalsContact CD1-CG 3.46Å; Y8-H358 AromaticContact CD1-ND1 3.76Å; Y8-H358 AromaticContact CD1-NE2 3.52Å; Y8-H358 AromaticContact CE1-CD2 3.77Å
9R94.9Very high75.3Confident77 Ų7769.5 Ų69.529%0.29139%0.391SS..EExtended strand (participates in β ladder)trans-122147.5171.9-69.5-62.5-161.9-135.87.2111.1F11 E53 D59 I60 F61R9-F11 HydrophobicContact CB-CD2 4.36Å; R9-F11 HydrophobicContact CB-CE2 3.72Å; R9-F11 HydrophobicContact CB-CZ 4.45Å; R9-E53 IonicContact CZ-OE2 3.58Å; R9-E53 IonicContact NE-OE2 2.86Å; R9-E53 PolarHBondContact NE-OE2 3.09Å; R9-E53 IonicContact NH2-OE2 3.48Å; R9-E53 PolarHBondContact NH2-OE2 2.95Å; R9-D59 PolarHBondContact N-O 3.27Å; R9-I60 HydrophobicContact CB-CD1 3.81Å; R9-I60 HydrophobicContact CG-CD1 4.33Å; R9-I60 WeakPolarHBondContact O-CA 3.31Å; R9-F61 PolarHBondContact O-N 3.48Å
10V96.9Very high76.2Confident1 Ų167.2 Ų67.21%0.00638%0.378CS..EExtended strand (participates in β ladder)trans-119.5124.1177.5-173.50000108.5Y8 T27 L30 V32 L34 G35 F61 I63Y8-V10 HydrophobicContact CD2-CG2 3.83Å; Y8-V10 HydrophobicContact CE2-CG2 3.7Å; V10-T27 HydrophobicContact CB-CG2 3.95Å; V10-T27 HydrophobicContact CG1-CG2 3.8Å; V10-T27 HydrophobicContact CG2-CG2 4.46Å; V10-L30 HydrophobicContact CG2-CD1 4.37Å; V10-V32 HydrophobicContact CG2-CG2 4.13Å; V10-L34 HydrophobicContact CG1-CD2 4.21Å; V10-G35 PolarHBondContact O-N 3.28Å; V10-F61 CarbonylContact C-O 3.57Å; V10-F61 WeakPolarHBondContact CA-O 3.12Å; V10-F61 HydrophobicContact CG1-CB 4.5Å; V10-F61 HydrophobicContact CG2-CB 4.34Å; V10-I63 HydrophobicContact CG1-CD1 3.42Å; V10-I63 VanDerWaalsContact CG1-CD1 3.42Å; V10-I63 HydrophobicContact CG1-CG1 3.88Å
11F97.3Very high77Confident0 Ų067.7 Ų67.70%038%0.377CS..EExtended strand (participates in β ladder)trans-115.6155.1174.8-67.2-91.6000110R9 V51 E53 V55 I60 F61 I63 M80 L84R9-F11 HydrophobicContact CB-CD2 4.36Å; R9-F11 HydrophobicContact CB-CE2 3.72Å; R9-F11 HydrophobicContact CB-CZ 4.45Å; F11-V51 HydrophobicContact CE1-CG1 3.98Å; F11-V51 HydrophobicContact CZ-CG1 4.04Å; F11-E53 HydrophobicContact CE1-CG 4.21Å; F11-E53 HydrophobicContact CZ-CG 3.87Å; F11-V55 HydrophobicContact CE2-CG1 3.83Å; F11-V55 HydrophobicContact CZ-CG1 3.7Å; F11-I60 HydrophobicContact CD2-CG2 3.47Å; F11-I60 VanDerWaalsContact CD2-CG2 3.47Å; F11-I60 HydrophobicContact CE2-CD1 4.32Å; F11-I60 HydrophobicContact CE2-CG2 3.73Å; F11-F61 PolarHBondContact N-O 3.34Å; F11-I63 PolarHBondContact O-N 3.21Å; F11-M80 HydrophobicContact CB-SD 3.94Å; F11-L84 HydrophobicContact CE2-CD2 4.22Å
12S97.2Very high80Confident11 Ų1156.8 Ų56.88%0.07732%0.324CS..EExtended strand (participates in β ladder)trans-107.1125.1166.5173.50000108.3N14 I63 M80S12-N14 VanDerWaalsContact C-N 3.3Å; S12-N14 PolarHBondContact OG-N 2.97Å; S12-I63 WeakPolarHBondContact CA-O 3.49Å; S12-M80 WeakPolarHBondContact O-CE 3.41Å
13A95.8Very high83.2Confident0 Ų048.6 Ų48.60%028%0.28CS..  trans-81.6-10.8174.700000112.8V39 I62 I63 Q64 E76 M80A13-V39 WeakPolarHBondContact O-CG1 3.33Å; A13-I62 HydrophobicContact CB-CG2 3.69Å; A13-I63 PolarHBondContact N-O 3.1Å; A13-Q64 HydrophobicContact CB-CB 4.47Å; A13-Q64 VanDerWaalsContact CB-OE1 3.25Å; A13-E76 WeakPolarHBondContact O-CB 3.28Å; A13-M80 HydrophobicContact CB-CB 4.36Å; A13-M80 HydrophobicContact CB-CE 4.11Å; A13-M80 HydrophobicContact CB-SD 3.71Å
14N94.5Very high85.9Confident10 Ų1044.8 Ų44.85%0.05326%0.258CS..  trans-71.3132.5-178.9-67.9118.6000112.9S12 C19 T20 Q64 T65S12-N14 VanDerWaalsContact C-N 3.3Å; S12-N14 PolarHBondContact OG-N 2.97Å; N14-C19 HydrophobicContact CB-CB 3.63Å; N14-C19 PolarHBondContact OD1-O 2.86Å; N14-T20 HydrophobicContact CB-CG2 4.17Å; N14-Q64 PolarHBondContact ND2-OE1 2.88Å; N14-Q64 PolarHBondContact OD1-OE1 2.81Å; N14-T65 PolarHBondContact ND2-O 2.96Å; N14-T65 PolarHBondContact OD1-N 2.85Å; N14-T65 PolarHBondContact OD1-OG1 2.77Å; N14-T65 VanDerWaalsContact OD1-OG1 3.05Å
15S89.6Confident88.6Confident53 Ų5343.9 Ų43.937%0.37124%0.241SC..SBendtrans-78.3-28.6172.3530000114.4E76S15-E76 WeakPolarHBondContact CB-OE1 3.29Å; S15-E76 PolarHBondContact OG-OE1 3.39Å
16T89.1Confident90.8Very high75 Ų7534.8 Ų34.846%0.4620%0.202SC..SBendtrans-94.6133.8-174.2-58.50000111.9A18 C19 T20T16-A18 VanDerWaalsContact C-N 3.34Å; T16-A18 HydrophobicContact CG2-CB 4.39Å; T16-A18 PolarHBondContact O-N 3.05Å; T16-C19 WeakPolarHBondContact O-CB 3.33Å; T16-C19 PolarHBondContact O-N 2.81Å; T16-T20 PolarHBondContact O-N 3.24Å
17T84.8Confident92.6Very high96 Ų9633.7 Ų33.759%0.58919%0.194SC*.Hα-helixtrans-56.6-41.9-176.6-46.60000113.5C19 T20T17-C19 PolarHBondContact O-N 3.5Å; T17-T20 PolarHBondContact O-N 2.76Å; T17-T20 PolarHBondContact O-OG1 2.8Å
18A84.4Confident93.4Very high53 Ų5338.7 Ų38.744%0.43821%0.206SC..Hα-helixtrans-59.1-31.4177.700000112.9T16 T20T16-A18 VanDerWaalsContact C-N 3.34Å; T16-A18 HydrophobicContact CG2-CB 4.39Å; T16-A18 PolarHBondContact O-N 3.05Å; A18-T20 VanDerWaalsContact C-N 3.32Å
19C88.1Confident93.7Very high7 Ų743.3 Ų43.35%0.04722%0.223CC..Hα-helixtrans-80.7-14.8178.5-60.10000112.8N14 T16 T17 T65 P330N14-C19 HydrophobicContact CB-CB 3.63Å; N14-C19 PolarHBondContact OD1-O 2.86Å; T16-C19 WeakPolarHBondContact O-CB 3.33Å; T16-C19 PolarHBondContact O-N 2.81Å; T17-C19 PolarHBondContact O-N 3.5Å; C19-T65 WeakPolarHBondContact CB-OG1 3.47Å; C19-T65 PolarHBondContact O-OG1 2.74Å; C19-P330 HydrophobicContact CB-CG 4.19Å
20T92.3Very high93.6Very high22 Ų2241 Ų4114%0.13522%0.217CC..Hα-helixtrans-85.6-9.7176.6680000113.7N14 T16 T17 A18 L22 A23 K24N14-T20 HydrophobicContact CB-CG2 4.17Å; T16-T20 PolarHBondContact O-N 3.24Å; T17-T20 PolarHBondContact O-N 2.76Å; T17-T20 PolarHBondContact O-OG1 2.8Å; A18-T20 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.73Å; T20-A23 WeakPolarHBondContact O-CB 3.47Å; T20-A23 PolarHBondContact O-N 3.15Å; T20-A23 VanDerWaalsContact O-N 3.08Å; T20-K24 WeakPolarHBondContact O-CG 3.08Å; T20-K24 PolarHBondContact O-N 2.89Å; T20-K24 WeakPolarHBondContact OG1-CE 3.45Å
21E94.1Very high93.5Very high78 Ų7844.2 Ų44.236%0.36425%0.25SC..Hα-helixtrans-59.9-42.9-174.5-73.8-58.7119.800113.1A23 K24 K25E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 2.81Å; E21-K24 PolarHBondContact O-N 2.78Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 2.74Å; E21-K25 WeakPolarHBondContact O-CG 3.29Å; E21-K25 PolarHBondContact O-N 3.24Å
22L96.3Very high93.3Very high9 Ų945.4 Ų45.45%0.04726%0.257CS..Hα-helixtrans-64.9-39.7175.8-178.364.3000111.6T20 K24 K25 I26 T65 P97 L350T20-L22 PolarHBondContact O-N 2.73Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.44Å; L22-K25 PolarHBondContact O-N 2.83Å; L22-I26 HydrophobicContact CD1-CD1 4.22Å; L22-I26 HydrophobicContact CD1-CG1 4.45Å; L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 2.73Å; L22-T65 HydrophobicContact CB-CG2 4.04Å; L22-T65 HydrophobicContact CD2-CG2 3.82Å; L22-P97 HydrophobicContact CD2-CB 4.23Å; L22-P97 HydrophobicContact CD2-CG 3.6Å; L22-L350 HydrophobicContact CD1-CD1 4.28Å; L22-L350 HydrophobicContact CD2-CD1 3.96Å; L22-L350 HydrophobicContact CG-CD1 4.42Å
23A96.4Very high93.1Very high0 Ų051.4 Ų51.40%029%0.288CS..Hα-helixtrans-61.8-43.7177.700000111.2T20 E21 I26 T27 L34 I63T20-A23 WeakPolarHBondContact O-CB 3.47Å; T20-A23 PolarHBondContact O-N 3.15Å; T20-A23 VanDerWaalsContact O-N 3.08Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 2.81Å; A23-I26 PolarHBondContact O-N 2.8Å; A23-T27 WeakPolarHBondContact O-CG2 3.45Å; A23-T27 PolarHBondContact O-N 3.29Å; A23-T27 PolarHBondContact O-OG1 3.48Å; A23-T27 VanDerWaalsContact O-OG1 3.05Å; A23-L34 HydrophobicContact CB-CD1 4.49Å; A23-L34 HydrophobicContact CB-CD2 4.17Å; A23-I63 HydrophobicContact CB-CB 4Å; A23-I63 HydrophobicContact CB-CD1 3.91Å; A23-I63 HydrophobicContact CB-CG2 3.86Å
24K95.9Very high93.1Very high68 Ų6854 Ų5430%0.29630%0.302SS..Hα-helixtrans-59.9-49.3175.2-67.9176.2-167.9164.80112T20 E21 L22 I26 T27 E28 L34T20-K24 WeakPolarHBondContact O-CG 3.08Å; T20-K24 PolarHBondContact O-N 2.89Å; T20-K24 WeakPolarHBondContact OG1-CE 3.45Å; E21-K24 PolarHBondContact O-N 2.78Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 2.74Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.44Å; K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 3.14Å; K24-T27 WeakPolarHBondContact CA-OG1 3.25Å; K24-T27 PolarHBondContact O-N 3.09Å; K24-T27 VanDerWaalsContact O-N 3.14Å; K24-T27 PolarHBondContact O-OG1 3.03Å; K24-E28 WeakPolarHBondContact O-CB 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.41Å; K24-E28 PolarHBondContact O-N 3.21Å; K24-L34 HydrophobicContact CG-CD1 4.01Å
25K96.7Very high93Very high80 Ų8054 Ų5435%0.34830%0.304SS..Hα-helixtrans-58.1-41.3177.3-73.2-179.8176.3-1780112.2E21 L22 R29E21-K25 WeakPolarHBondContact O-CG 3.29Å; E21-K25 PolarHBondContact O-N 3.24Å; L22-K25 PolarHBondContact O-N 2.83Å; K25-R29 VanDerWaalsContact O-CG 3.32Å; K25-R29 WeakPolarHBondContact O-CG 3.33Å; K25-R29 PolarHBondContact O-N 3.37Å; K25-R29 VanDerWaalsContact O-N 3.14Å
26I96.8Very high93.3Very high0 Ų058.6 Ų58.60%032%0.318CS..Hα-helixtrans-63.8-46.9176.2-70.7165.3000110.5L22 A23 K24 E28 R29 L30 I63 L350 A351 I354L22-I26 HydrophobicContact CD1-CD1 4.22Å; L22-I26 HydrophobicContact CD1-CG1 4.45Å; L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 2.73Å; A23-I26 PolarHBondContact O-N 2.8Å; K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 3.14Å; I26-E28 PolarHBondContact O-N 3.34Å; I26-R29 PolarHBondContact O-N 3.05Å; I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 WeakPolarHBondContact O-CG 3.33Å; I26-L30 PolarHBondContact O-N 2.96Å; I26-I63 HydrophobicContact CB-CD1 4.03Å; I26-I63 HydrophobicContact CD1-CD1 3.91Å; I26-I63 HydrophobicContact CD1-CG2 4.46Å; I26-I63 HydrophobicContact CG2-CD1 3.86Å; I26-L350 HydrophobicContact CD1-CB 3.73Å; I26-L350 HydrophobicContact CD1-CD1 3.83Å; I26-L350 HydrophobicContact CD1-CG 4.42Å; I26-L350 HydrophobicContact CG1-CB 4.09Å; I26-A351 HydrophobicContact CG2-CB 4.26Å; I26-I354 HydrophobicContact CG2-CD1 3.58Å
27T95.6Very high93.5Very high8 Ų856.7 Ų56.75%0.04931%0.307CS..Hα-helixtrans-66.3-37-179.949.40000113.1V10 A23 K24 R29 L30 G31 V32 L34V10-T27 HydrophobicContact CB-CG2 3.95Å; V10-T27 HydrophobicContact CG1-CG2 3.8Å; V10-T27 HydrophobicContact CG2-CG2 4.46Å; A23-T27 WeakPolarHBondContact O-CG2 3.45Å; A23-T27 PolarHBondContact O-N 3.29Å; A23-T27 PolarHBondContact O-OG1 3.48Å; A23-T27 VanDerWaalsContact O-OG1 3.05Å; K24-T27 WeakPolarHBondContact CA-OG1 3.25Å; K24-T27 PolarHBondContact O-N 3.09Å; K24-T27 VanDerWaalsContact O-N 3.14Å; K24-T27 PolarHBondContact O-OG1 3.03Å; T27-R29 PolarHBondContact O-N 3.14Å; T27-L30 CarbonylContact O-C 3.5Å; T27-L30 PolarHBondContact O-N 2.82Å; T27-G31 PolarHBondContact O-N 2.92Å; T27-V32 CarbonylContact C-O 3.55Å; T27-V32 VanDerWaalsContact CB-O 3.29Å; T27-V32 WeakPolarHBondContact CB-O 3.31Å; T27-V32 HydrophobicContact CG2-CG2 4.05Å; T27-V32 PolarHBondContact O-N 3.24Å; T27-V32 VanDerWaalsContact O-N 3.09Å; T27-L34 HydrophobicContact CG2-CD2 3.52Å; T27-L34 HydrophobicContact CG2-CG 3.81Å
28E95.7Very high94Very high146 Ų14655.2 Ų55.268%0.68230%0.298SS*.Hα-helixtrans-59.7-44.7172.8-75.7171.5-168.200111.5K24 I26 L30 G31K24-E28 WeakPolarHBondContact O-CB 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.41Å; K24-E28 PolarHBondContact O-N 3.21Å; I26-E28 PolarHBondContact O-N 3.34Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.98Å; E28-G31 PolarHBondContact O-N 3.32Å
29R94.9Very high94.5Very high115 Ų11553.7 Ų53.743%0.43428%0.283SS..Hα-helixtrans-66.5-32.7176.8-70.5-176.4-173-683.9113.1K25 I26 T27 G31 D345 S347 A351K25-R29 VanDerWaalsContact O-CG 3.32Å; K25-R29 WeakPolarHBondContact O-CG 3.33Å; K25-R29 PolarHBondContact O-N 3.37Å; K25-R29 VanDerWaalsContact O-N 3.14Å; I26-R29 PolarHBondContact O-N 3.05Å; T27-R29 PolarHBondContact O-N 3.14Å; R29-G31 VanDerWaalsContact C-N 3.31Å; R29-D345 IonicContact CZ-OD2 3.74Å; R29-D345 IonicContact NE-OD2 3.93Å; R29-D345 IonicContact NH2-OD2 2.73Å; R29-D345 PolarHBondContact NH2-OD2 2.86Å; R29-S347 PolarHBondContact NE-OG 2.96Å; R29-A351 HydrophobicContact CB-CB 3.89Å
30L93.8Very high94.7Very high29 Ų2957.3 Ų57.315%0.15230%0.296CS..Hα-helixtrans-79.9-13.2176.3-71174.3000113Y8 V10 I26 T27 E28 V32 A351 I354 R355Y8-L30 HydrophobicContact CE2-CD1 4.19Å; V10-L30 HydrophobicContact CG2-CD1 4.37Å; I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 WeakPolarHBondContact O-CG 3.33Å; I26-L30 PolarHBondContact O-N 2.96Å; T27-L30 CarbonylContact O-C 3.5Å; T27-L30 PolarHBondContact O-N 2.82Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.98Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 HydrophobicContact CB-CG1 4.48Å; L30-V32 HydrophobicContact CB-CG2 3.84Å; L30-V32 HydrophobicContact CD1-CG2 4.46Å; L30-V32 PolarHBondContact O-N 2.86Å; L30-A351 HydrophobicContact CD2-CB 4.09Å; L30-A351 WeakPolarHBondContact CD2-O 3.48Å; L30-A351 HydrophobicContact CG-CB 4Å; L30-I354 HydrophobicContact CD1-CB 4.25Å; L30-I354 HydrophobicContact CD1-CD1 4.19Å; L30-I354 HydrophobicContact CD1-CG2 3.78Å; L30-R355 HydrophobicContact CD2-CB 4.16Å
31G93.5Very high94.8Very high68 Ų6860.2 Ų60.270%0.70131%0.308SS*.THydrogen-bonded Turntrans6531.3-174.400000113.3T27 E28 R29T27-G31 PolarHBondContact O-N 2.92Å; E28-G31 PolarHBondContact O-N 3.32Å; R29-G31 VanDerWaalsContact C-N 3.31Å
32V93.6Very high94.8Very high25 Ų2559.6 Ų59.615%0.15231%0.306CS..  trans-122.3157.2178.4-58.80000110.3Y8 V10 T27 L30Y8-V32 HydrophobicContact CE2-CG1 4.44Å; Y8-V32 HydrophobicContact CE2-CG2 4.46Å; V10-V32 HydrophobicContact CG2-CG2 4.13Å; T27-V32 CarbonylContact C-O 3.55Å; T27-V32 VanDerWaalsContact CB-O 3.29Å; T27-V32 WeakPolarHBondContact CB-O 3.31Å; T27-V32 HydrophobicContact CG2-CG2 4.05Å; T27-V32 PolarHBondContact O-N 3.24Å; T27-V32 VanDerWaalsContact O-N 3.09Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 HydrophobicContact CB-CG1 4.48Å; L30-V32 HydrophobicContact CB-CG2 3.84Å; L30-V32 HydrophobicContact CD1-CG2 4.46Å; L30-V32 PolarHBondContact O-N 2.86Å
33D93.9Very high94.6Very high138 Ų13865.6 Ų65.674%0.73835%0.348SS*.PPolyproline II helixtrans-88.6151.5171.4-64.4-46.8000111
34L95Very high94.6Very high55 Ų5569.7 Ų69.729%0.28837%0.37SS..BIsolated β-bridgetrans-63.1136.6167.1-76170.3000110.2V10 A23 K24 T27V10-L34 HydrophobicContact CG1-CD2 4.21Å; A23-L34 HydrophobicContact CB-CD1 4.49Å; A23-L34 HydrophobicContact CB-CD2 4.17Å; K24-L34 HydrophobicContact CG-CD1 4.01Å; T27-L34 HydrophobicContact CG2-CD2 3.52Å; T27-L34 HydrophobicContact CG2-CG 3.81Å
35G93.6Very high94.4Very high10 Ų1076.2 Ų76.210%0.10339%0.393CS..PPolyproline II helixtrans-61.5148.1175.300000111.7V10 S37 E53V10-G35 PolarHBondContact O-N 3.28Å; G35-S37 PolarHBondContact O-N 3.37Å; G35-S37 VanDerWaalsContact O-N 3.15Å; G35-E53 WeakPolarHBondContact CA-OE1 3.46Å
36K94.1Very high94.4Very high149 Ų14978.2 Ų78.265%0.64840%0.403SS*.  trans-77.4101.9-177.9-62.2-179.8-178.2179.80109.4K52 E53K36-K52 HydrophobicContact CB-CB 4.09Å; K36-K52 WeakPolarHBondContact O-CA 3.47Å; K36-K52 WeakPolarHBondContact O-CB 3.5Å; K36-K52 PolarHBondContact O-N 3.2Å; K36-E53 PolarHBondContact N-OE1 2.79Å
37S94.3Very high94.4Very high34 Ų3479.7 Ų79.724%0.23841%0.412CS..EExtended strand (participates in β ladder)trans-137.3151.3171.755.30000111.3G35 D50G35-S37 PolarHBondContact O-N 3.37Å; G35-S37 VanDerWaalsContact O-N 3.15Å; S37-D50 CarbonylContact C-O 3.58Å; S37-D50 VanDerWaalsContact CA-O 3.29Å; S37-D50 WeakPolarHBondContact CA-O 3.46Å
38V94.4Very high94.5Very high66 Ų6684.6 Ų84.640%0.443%0.43SS..EExtended strand (participates in β ladder)trans-114123.5172.1-169.20000107.6Y40 V49 D50 K52V38-Y40 HydrophobicContact CG1-CD1 3.77Å; V38-Y40 HydrophobicContact CG1-CE1 4.19Å; V38-V49 WeakPolarHBondContact O-CA 3.12Å; V38-D50 HydrophobicContact CB-CB 4.47Å; V38-D50 PolarHBondContact N-O 2.96Å; V38-D50 PolarHBondContact O-N 3.49Å; V38-K52 HydrophobicContact CG2-CG 4.19Å
39V95.3Very high94.5Very high20 Ų2078.3 Ų78.312%0.12140%0.401CS..EExtended strand (participates in β ladder)trans-122.9122.9174.8-173.60000108.1A13 R48 V49 E76 M80A13-V39 WeakPolarHBondContact O-CG1 3.33Å; V39-R48 WeakPolarHBondContact CA-O 3.4Å; V39-V49 HydrophobicContact CG1-CG2 4.11Å; V39-V49 HydrophobicContact CG2-CG1 4.22Å; V39-V49 HydrophobicContact CG2-CG2 4.22Å; V39-E76 HydrophobicContact CG1-CB 4.29Å; V39-E76 HydrophobicContact CG1-CG 3.77Å; V39-M80 HydrophobicContact CG2-CE 3.47Å; V39-M80 VanDerWaalsContact CG2-CE 3.47Å
40Y93.1Very high94.6Very high84 Ų8475.1 Ų75.133%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-152.9163.8-179.465-80.3000111.2V38 E42 R48V38-Y40 HydrophobicContact CG1-CD1 3.77Å; V38-Y40 HydrophobicContact CG1-CE1 4.19Å; Y40-E42 HydrophobicContact CE2-CG 3.99Å; Y40-R48 HydrophobicContact CD1-CB 4.44Å; Y40-R48 HydrophobicContact CE1-CB 4.05Å; Y40-R48 HydrophobicContact CE1-CG 4.01Å; Y40-R48 HydrophobicContact CE2-CB 4.2Å; Y40-R48 PolarHBondContact N-O 2.97Å; Y40-R48 VanDerWaalsContact N-O 3.1Å; Y40-R48 PolarHBondContact O-N 3.47Å; Y40-R48 VanDerWaalsContact OH-CD 3.25Å; Y40-R48 WeakPolarHBondContact OH-CD 3.32Å; Y40-R48 PolarHBondContact OH-NE 3.08Å
41Q93.4Very high94.7Very high82 Ų8275.2 Ų75.238%0.38340%0.395SS..EExtended strand (participates in β ladder)trans-99.5135169.8-71.1-175.5-35.800110.1E46 T72Q41-E46 CarbonylContact C-O 3.47Å; Q41-E46 WeakPolarHBondContact CA-O 3.49Å; Q41-T72 HydrophobicContact CG-CG2 4.36Å; Q41-T72 PolarHBondContact NE2-OG1 3.47Å
42E93.6Very high94.8Very high66 Ų6677.6 Ų77.631%0.30839%0.386SS..  trans-72.5168.6169.6-66.7-158.8-172.800110.8Y40 N44 R45 E46 R48Y40-E42 HydrophobicContact CE2-CG 3.99Å; E42-N44 VanDerWaalsContact CB-OD1 3.31Å; E42-N44 WeakPolarHBondContact CB-OD1 3.44Å; E42-N44 PolarHBondContact O-N 2.81Å; E42-N44 VanDerWaalsContact O-N 3.13Å; E42-R45 WeakPolarHBondContact O-CA 3.46Å; E42-R45 PolarHBondContact O-N 2.8Å; E42-E46 PolarHBondContact N-O 3.37Å; E42-R48 WeakPolarHBondContact OE1-CD 3.44Å; E42-R48 IonicContact OE1-CZ 3.75Å; E42-R48 IonicContact OE1-NE 3.88Å; E42-R48 IonicContact OE1-NH1 2.81Å; E42-R48 PolarHBondContact OE1-NH1 3.38Å
43S93.7Very high94.8Very high134 Ų13478.6 Ų78.694%0.93739%0.389SS*.THydrogen-bonded Turntrans-61-23.9-177.854.70000113.5R45S43-R45 VanDerWaalsContact C-N 3.3Å
44N95.2Very high94.8Very high86 Ų8676.2 Ų76.246%0.4638%0.383SS..THydrogen-bonded Turntrans-85.25.4173.966.4-3.5000113.8E42 E46E42-N44 VanDerWaalsContact CB-OD1 3.31Å; E42-N44 WeakPolarHBondContact CB-OD1 3.44Å; E42-N44 PolarHBondContact O-N 2.81Å; E42-N44 VanDerWaalsContact O-N 3.13Å; N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact ND2-OE2 2.66Å; N44-E46 PolarHBondContact O-N 3.41Å; N44-E46 WeakPolarHBondContact OD1-CB 3.28Å; N44-E46 PolarHBondContact OD1-N 3.11Å
45R92.9Very high94.8Very high206 Ų20673.7 Ų73.778%0.77737%0.369SS*.SBendtrans70.210.6-175.5-51.7-178.2176-175.9-2.1115.8E42 S43E42-R45 WeakPolarHBondContact O-CA 3.46Å; E42-R45 PolarHBondContact O-N 2.8Å; S43-R45 VanDerWaalsContact C-N 3.3Å
46E96.6Very high94.9Very high122 Ų12281.5 Ų81.557%0.5740%0.396SS*.  trans-70.5141.3170.6-68.8179.3166.500110.6Q41 E42 N44Q41-E46 CarbonylContact C-O 3.47Å; Q41-E46 WeakPolarHBondContact CA-O 3.49Å; E42-E46 PolarHBondContact N-O 3.37Å; N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact ND2-OE2 2.66Å; N44-E46 PolarHBondContact O-N 3.41Å; N44-E46 WeakPolarHBondContact OD1-CB 3.28Å; N44-E46 PolarHBondContact OD1-N 3.11Å
47T96.8Very high94.9Very high30 Ų3076.7 Ų76.718%0.18439%0.389CS..EExtended strand (participates in β ladder)trans-88.3130.3-179.6-600000110.3V49 E76T47-V49 HydrophobicContact CG2-CG2 4.5Å; T47-E76 HydrophobicContact CG2-CB 4.19Å; T47-E76 HydrophobicContact CG2-CG 3.52Å
48R96.6Very high94.8Very high112 Ų11277.8 Ų77.842%0.42339%0.39SS..EExtended strand (participates in β ladder)trans-123.4133.4177-170.6152.2174.71734.2111.2V39 Y40 E42V39-R48 WeakPolarHBondContact CA-O 3.4Å; Y40-R48 HydrophobicContact CD1-CB 4.44Å; Y40-R48 HydrophobicContact CE1-CB 4.05Å; Y40-R48 HydrophobicContact CE1-CG 4.01Å; Y40-R48 HydrophobicContact CE2-CB 4.2Å; Y40-R48 PolarHBondContact N-O 2.97Å; Y40-R48 VanDerWaalsContact N-O 3.1Å; Y40-R48 PolarHBondContact O-N 3.47Å; Y40-R48 VanDerWaalsContact OH-CD 3.25Å; Y40-R48 WeakPolarHBondContact OH-CD 3.32Å; Y40-R48 PolarHBondContact OH-NE 3.08Å; E42-R48 WeakPolarHBondContact OE1-CD 3.44Å; E42-R48 IonicContact OE1-CZ 3.75Å; E42-R48 IonicContact OE1-NE 3.88Å; E42-R48 IonicContact OE1-NH1 2.81Å; E42-R48 PolarHBondContact OE1-NH1 3.38Å
49V97.1Very high94.9Very high14 Ų1475.9 Ų75.99%0.08538%0.377CS..EExtended strand (participates in β ladder)trans-127.2121.8178.2-178.70000109.2V38 V39 T47 V79 M80V38-V49 WeakPolarHBondContact O-CA 3.12Å; V39-V49 HydrophobicContact CG1-CG2 4.11Å; V39-V49 HydrophobicContact CG2-CG1 4.22Å; V39-V49 HydrophobicContact CG2-CG2 4.22Å; T47-V49 HydrophobicContact CG2-CG2 4.5Å; V49-V79 HydrophobicContact CB-CG1 3.96Å; V49-V79 HydrophobicContact CG2-CB 4.1Å; V49-V79 HydrophobicContact CG2-CG1 3.82Å; V49-M80 HydrophobicContact CG1-CB 3.95Å; V49-M80 HydrophobicContact CG1-CE 3.65Å; V49-M80 HydrophobicContact CG1-CG 4.13Å; V49-M80 HydrophobicContact CG2-CB 4.33Å
50D95.6Very high95Very high47 Ų4774.9 Ų74.925%0.25137%0.372SS..EExtended strand (participates in β ladder)trans-117.1115172.8-74.9-13.5000110.3S37 V38 K52S37-D50 CarbonylContact C-O 3.58Å; S37-D50 VanDerWaalsContact CA-O 3.29Å; S37-D50 WeakPolarHBondContact CA-O 3.46Å; V38-D50 HydrophobicContact CB-CB 4.47Å; V38-D50 PolarHBondContact N-O 2.96Å; V38-D50 PolarHBondContact O-N 3.49Å; D50-K52 HydrophobicContact CB-CD 4.24Å; D50-K52 VanDerWaalsContact CB-CE 3.45Å; D50-K52 VanDerWaalsContact CB-NZ 3.33Å; D50-K52 IonicContact OD2-NZ 2.78Å; D50-K52 PolarHBondContact OD2-NZ 3.41Å
51V95.9Very high95.2Very high31 Ų3171 Ų7119%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-82.7120.9170.7-174.70000108.6F11 V55 A83 L84F11-V51 HydrophobicContact CE1-CG1 3.98Å; F11-V51 HydrophobicContact CZ-CG1 4.04Å; V51-V55 HydrophobicContact CG1-CG1 4.06Å; V51-A83 HydrophobicContact CG2-CB 4.46Å; V51-L84 HydrophobicContact CG1-CD2 4.31Å; V51-L84 HydrophobicContact CG2-CD2 4.08Å; V51-L84 HydrophobicContact CG2-CG 4.45Å
52K95.8Very high95.5Very high119 Ų11967 Ų6752%0.51734%0.338SS..  trans-101.612.5-172.8-56.2-63-177.7-1700113.4K36 V38 D50K36-K52 HydrophobicContact CB-CB 4.09Å; K36-K52 WeakPolarHBondContact O-CA 3.47Å; K36-K52 WeakPolarHBondContact O-CB 3.5Å; K36-K52 PolarHBondContact O-N 3.2Å; V38-K52 HydrophobicContact CG2-CG 4.19Å; D50-K52 HydrophobicContact CB-CD 4.24Å; D50-K52 VanDerWaalsContact CB-CE 3.45Å; D50-K52 VanDerWaalsContact CB-NZ 3.33Å; D50-K52 IonicContact OD2-NZ 2.78Å; D50-K52 PolarHBondContact OD2-NZ 3.41Å
53E94Very high95.7Very high46 Ų4663.9 Ų63.922%0.21532%0.323CS..SBendtrans-138.8161.717471.61809700112.3R9 F11 G35 K36R9-E53 IonicContact CZ-OE2 3.58Å; R9-E53 IonicContact NE-OE2 2.86Å; R9-E53 PolarHBondContact NE-OE2 3.09Å; R9-E53 IonicContact NH2-OE2 3.48Å; R9-E53 PolarHBondContact NH2-OE2 2.95Å; F11-E53 HydrophobicContact CE1-CG 4.21Å; F11-E53 HydrophobicContact CZ-CG 3.87Å; G35-E53 WeakPolarHBondContact CA-OE1 3.46Å; K36-E53 PolarHBondContact N-OE1 2.79Å
54S94.1Very high95.9Very high87 Ų8757.5 Ų57.561%0.60828%0.279SS*.  trans-76.9127.4178.8-176.40000111.2
55V95.4Very high96Very high2 Ų253.5 Ų53.51%0.01226%0.257CS..  trans-113.97.4179.6-63.70000112.9F11 V51 G57 Q58 I60 L84 N87 A89F11-V55 HydrophobicContact CE2-CG1 3.83Å; F11-V55 HydrophobicContact CZ-CG1 3.7Å; V51-V55 HydrophobicContact CG1-CG1 4.06Å; V55-G57 PolarHBondContact O-N 3.28Å; V55-Q58 PolarHBondContact O-N 3.31Å; V55-I60 HydrophobicContact CB-CD1 3.79Å; V55-I60 HydrophobicContact CB-CG1 4.32Å; V55-I60 HydrophobicContact CG1-CD1 3.93Å; V55-L84 HydrophobicContact CB-CD2 4.07Å; V55-L84 HydrophobicContact CG1-CD2 3.69Å; V55-L84 HydrophobicContact CG2-CD2 3.84Å; V55-N87 HydrophobicContact CG2-CB 3.54Å; V55-A89 WeakPolarHBondContact O-CA 3.41Å
56R94.8Very high96.1Very high175 Ų17544.1 Ų44.166%0.6622%0.222SC*.THydrogen-bonded Turntrans-61.4124.2-173.1179.7179.6-68.2-89.8-2.8111.3Q58 C88R56-Q58 PolarHBondContact O-N 3.41Å; R56-C88 HydrophobicContact CG-CB 4.28Å
57G93.5Very high95.8Very high48 Ų4840.1 Ų40.150%0.49521%0.207SC..THydrogen-bonded Turntrans69.77.9176.200000114.9V55 C88V55-G57 PolarHBondContact O-N 3.28Å; G57-C88 PolarHBondContact N-O 3.5Å
58Q93.8Very high95.3Very high56 Ų5648.4 Ų48.426%0.26224%0.235SC..  trans-96156.2-179.8-66.7179.4-0.400111.7V55 R56 I60 K90V55-Q58 PolarHBondContact O-N 3.31Å; R56-Q58 PolarHBondContact O-N 3.41Å; Q58-I60 HydrophobicContact CB-CD1 3.81Å; Q58-K90 PolarHBondContact O-N 2.99Å
59D95.4Very high95.1Very high26 Ų2646.9 Ų46.914%0.13924%0.235CC..EExtended strand (participates in β ladder)trans-84.4124.4169.3-61.8-39000109Y8 R9 N91 H358Y8-D59 CarbonylContact C-O 3.5Å; Y8-D59 WeakPolarHBondContact CA-O 3.36Å; Y8-D59 VanDerWaalsContact CB-O 3.31Å; Y8-D59 WeakPolarHBondContact CB-O 3.34Å; R9-D59 PolarHBondContact N-O 3.27Å; D59-N91 WeakPolarHBondContact OD1-CB 3.1Å; D59-N91 PolarHBondContact OD1-ND2 3.02Å; D59-H358 IonicContact OD2-ND1 3.78Å
60I97.6Very high95Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-118130.4-171.8-47.6-60.8000109.9R9 F11 V55 Q58 L84 A89 N91 I93R9-I60 HydrophobicContact CB-CD1 3.81Å; R9-I60 HydrophobicContact CG-CD1 4.33Å; R9-I60 WeakPolarHBondContact O-CA 3.31Å; F11-I60 HydrophobicContact CD2-CG2 3.47Å; F11-I60 VanDerWaalsContact CD2-CG2 3.47Å; F11-I60 HydrophobicContact CE2-CD1 4.32Å; F11-I60 HydrophobicContact CE2-CG2 3.73Å; V55-I60 HydrophobicContact CB-CD1 3.79Å; V55-I60 HydrophobicContact CB-CG1 4.32Å; V55-I60 HydrophobicContact CG1-CD1 3.93Å; Q58-I60 HydrophobicContact CB-CD1 3.81Å; I60-L84 HydrophobicContact CG2-CD1 3.73Å; I60-L84 HydrophobicContact CG2-CD2 4.13Å; I60-A89 HydrophobicContact CG1-CB 3.71Å; I60-N91 PolarHBondContact N-O 3.03Å; I60-I93 WeakPolarHBondContact O-CD1 3.37Å; I60-I93 PolarHBondContact O-N 3.5Å
61F98.4Very high95.1Very high1 Ų150.1 Ų50.10%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-107.8121.8172-63.7-93.5000109.1Y8 R9 V10 F11 I93 V95 I131 I354 I357 H358Y8-F61 AromaticContact CD2-CD2 3.74Å; Y8-F61 HydrophobicContact CD2-CD2 3.74Å; Y8-F61 AromaticContact CD2-CE2 3.84Å; Y8-F61 HydrophobicContact CD2-CE2 3.84Å; Y8-F61 HydrophobicContact CG-CD2 4.22Å; Y8-F61 AromaticContact CG-CE2 3.94Å; Y8-F61 HydrophobicContact CG-CE2 3.94Å; R9-F61 PolarHBondContact O-N 3.48Å; V10-F61 CarbonylContact C-O 3.57Å; V10-F61 WeakPolarHBondContact CA-O 3.12Å; V10-F61 HydrophobicContact CG1-CB 4.5Å; V10-F61 HydrophobicContact CG2-CB 4.34Å; F11-F61 PolarHBondContact N-O 3.34Å; F61-I93 CarbonylContact C-O 3.6Å; F61-I93 WeakPolarHBondContact CA-O 3.33Å; F61-I93 HydrophobicContact CD1-CB 3.6Å; F61-I93 HydrophobicContact CD1-CD1 4.31Å; F61-I93 HydrophobicContact CD1-CG1 4.22Å; F61-I93 HydrophobicContact CD1-CG2 3.69Å; F61-I93 HydrophobicContact CE1-CB 3.81Å; F61-I93 HydrophobicContact CE1-CD1 4.02Å; F61-I93 HydrophobicContact CE1-CG1 3.94Å; F61-I93 HydrophobicContact CE1-CG2 3.8Å; F61-I93 HydrophobicContact CE2-CD1 4.38Å; F61-I93 HydrophobicContact CG-CB 4.33Å; F61-I93 HydrophobicContact CZ-CD1 4.06Å; F61-I93 HydrophobicContact CZ-CG1 4.43Å; F61-V95 HydrophobicContact CB-CG2 4.33Å; F61-V95 HydrophobicContact CD1-CG2 4.13Å; F61-I131 HydrophobicContact CE1-CD1 4.44Å; F61-I354 HydrophobicContact CD1-CB 4.28Å; F61-I354 HydrophobicContact CD1-CG1 3.83Å; F61-I354 HydrophobicContact CD1-CG2 3.88Å; F61-I354 HydrophobicContact CD2-CG2 3.94Å; F61-I354 HydrophobicContact CE1-CB 4.19Å; F61-I354 HydrophobicContact CE1-CG1 4.14Å; F61-I354 HydrophobicContact CE1-CG2 3.85Å; F61-I354 HydrophobicContact CE2-CG2 3.91Å; F61-I354 HydrophobicContact CG-CG1 4.4Å; F61-I354 HydrophobicContact CG-CG2 3.93Å; F61-I354 HydrophobicContact CZ-CG2 3.86Å; F61-I357 HydrophobicContact CE1-CB 4.47Å; F61-I357 HydrophobicContact CE1-CG2 4.25Å; F61-I357 HydrophobicContact CZ-CG2 4.26Å; F61-H358 HydrophobicContact CE2-CB 4.37Å; F61-H358 HydrophobicContact CZ-CB 4.25Å
62I98.3Very high95.1Very high0 Ų049.8 Ų49.80%025%0.251CS..EExtended strand (participates in β ladder)trans-103.3112.9174.6-53170.2000107.7A13 L77 M80 A81 L84 I92 I93 V95A13-I62 HydrophobicContact CB-CG2 3.69Å; I62-L77 HydrophobicContact CB-CD1 4.28Å; I62-L77 HydrophobicContact CD1-CD1 4.4Å; I62-L77 HydrophobicContact CG2-CD1 3.68Å; I62-M80 HydrophobicContact CD1-CG 4.2Å; I62-M80 HydrophobicContact CG1-SD 4.46Å; I62-M80 HydrophobicContact CG2-CG 4.42Å; I62-M80 HydrophobicContact CG2-SD 3.72Å; I62-A81 HydrophobicContact CD1-CB 3.99Å; I62-L84 HydrophobicContact CD1-CD1 3.47Å; I62-L84 VanDerWaalsContact CD1-CD1 3.47Å; I62-L84 HydrophobicContact CG1-CD1 3.6Å; I62-I92 HydrophobicContact CD1-CG2 3.6Å; I62-I92 HydrophobicContact CG1-CG2 4.26Å; I62-I93 PolarHBondContact N-O 3.26Å; I62-V95 PolarHBondContact O-N 2.9Å
63I98.3Very high95.2Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-86.6125.7173.2-56174.6000108.2V10 F11 S12 A13 A23 I26 V95V10-I63 HydrophobicContact CG1-CD1 3.42Å; V10-I63 VanDerWaalsContact CG1-CD1 3.42Å; V10-I63 HydrophobicContact CG1-CG1 3.88Å; F11-I63 PolarHBondContact O-N 3.21Å; S12-I63 WeakPolarHBondContact CA-O 3.49Å; A13-I63 PolarHBondContact N-O 3.1Å; A23-I63 HydrophobicContact CB-CB 4Å; A23-I63 HydrophobicContact CB-CD1 3.91Å; A23-I63 HydrophobicContact CB-CG2 3.86Å; I26-I63 HydrophobicContact CB-CD1 4.03Å; I26-I63 HydrophobicContact CD1-CD1 3.91Å; I26-I63 HydrophobicContact CD1-CG2 4.46Å; I26-I63 HydrophobicContact CG2-CD1 3.86Å; I63-V95 WeakPolarHBondContact CA-O 3.34Å; I63-V95 HydrophobicContact CG1-CB 4.06Å; I63-V95 HydrophobicContact CG1-CG1 4.41Å; I63-V95 HydrophobicContact CG1-CG2 4.45Å
64Q97.8Very high95.3Very high0 Ų042.6 Ų42.60%022%0.22CC..  trans-133.8113174.6-171.669-32.200111A13 N14 I66 A73 E76 L77 V95 P97A13-Q64 HydrophobicContact CB-CB 4.47Å; A13-Q64 VanDerWaalsContact CB-OE1 3.25Å; N14-Q64 PolarHBondContact ND2-OE1 2.88Å; N14-Q64 PolarHBondContact OD1-OE1 2.81Å; Q64-I66 HydrophobicContact CG-CD1 4.22Å; Q64-A73 PolarHBondContact NE2-O 3.46Å; Q64-E76 PolarHBondContact NE2-OE2 3.18Å; Q64-L77 HydrophobicContact CB-CD1 4.21Å; Q64-L77 HydrophobicContact CB-CD2 4.34Å; Q64-L77 HydrophobicContact CG-CB 4.11Å; Q64-L77 HydrophobicContact CG-CD2 4.35Å; Q64-V95 PolarHBondContact N-O 2.9Å; Q64-P97 WeakPolarHBondContact O-CD 3.31Å
65T96.8Very high95.5Very high2 Ų242.7 Ų42.71%0.01221%0.212CC..  trans-90.5157.2164.2660000109.8N14 C19 L22 P67N14-T65 PolarHBondContact ND2-O 2.96Å; N14-T65 PolarHBondContact OD1-N 2.85Å; N14-T65 PolarHBondContact OD1-OG1 2.77Å; N14-T65 VanDerWaalsContact OD1-OG1 3.05Å; C19-T65 WeakPolarHBondContact CB-OG1 3.47Å; C19-T65 PolarHBondContact O-OG1 2.74Å; L22-T65 HydrophobicContact CB-CG2 4.04Å; L22-T65 HydrophobicContact CD2-CG2 3.82Å; T65-P67 WeakPolarHBondContact O-CD 3.31Å
66I94.5Very high95.6Very high9 Ų942.7 Ų42.75%0.04621%0.212CC..  trans-108.4107.5-175.4-54.2-59000109.6Q64 V70 A73 Y98 P100Q64-I66 HydrophobicContact CG-CD1 4.22Å; I66-V70 HydrophobicContact CG2-CB 4.04Å; I66-V70 HydrophobicContact CG2-CG2 3.76Å; I66-A73 HydrophobicContact CD1-CB 4.12Å; I66-Y98 HydrophobicContact CB-CD1 3.99Å; I66-Y98 HydrophobicContact CB-CE1 4.47Å; I66-Y98 HydrophobicContact CG1-CD1 4.05Å; I66-P100 HydrophobicContact CD1-CB 4.35Å; I66-P100 HydrophobicContact CD1-CG 3.84Å; I66-P100 HydrophobicContact CG1-CB 4.23Å; I66-P100 HydrophobicContact CG1-CG 4.11Å; I66-P100 HydrophobicContact CG2-CB 4.39Å
67P90.3Very high95.8Very high38 Ų3834.7 Ų34.725%0.24718%0.182CC..  trans-73.4-177.6168.630.4-34.3000111.9T65 D69 A73T65-P67 WeakPolarHBondContact O-CD 3.31Å; P67-D69 PolarHBondContact O-N 2.91Å; P67-A73 HydrophobicContact CG-CB 4.19Å
68R87.8Confident96Very high204 Ų20433.2 Ų33.277%0.7716%0.163SC*.SBendtrans-54.1-37.8176.1-163.7177.7-125.8-148.56.9113.2V70 A309R68-V70 PolarHBondContact O-N 2.78Å; R68-V70 VanDerWaalsContact O-N 3.11Å; R68-A309 VanDerWaalsContact NH2-N 3.15Å
69D92.4Very high96.3Very high80 Ų8032.8 Ų32.843%0.42816%0.164SC..  trans-83.381.2172.4-170.8-5.4000111.1P67 N71 T72 A73P67-D69 PolarHBondContact O-N 2.91Å; D69-N71 VanDerWaalsContact C-N 3.3Å; D69-N71 PolarHBondContact O-N 3.42Å; D69-N71 PolarHBondContact OD1-N 2.81Å; D69-T72 VanDerWaalsContact CG-CB 3.46Å; D69-T72 PolarHBondContact OD1-N 2.98Å; D69-T72 VanDerWaalsContact OD1-N 3.17Å; D69-T72 PolarHBondContact OD1-OG1 3.01Å; D69-T72 VanDerWaalsContact OD2-CB 3.24Å; D69-T72 WeakPolarHBondContact OD2-CB 3.47Å; D69-T72 PolarHBondContact OD2-OG1 3.46Å; D69-A73 PolarHBondContact O-N 3.34Å
70V95.4Very high96.4Very high39 Ų3931.6 Ų31.624%0.23616%0.157CC..Hα-helixtrans-62.2-35.1-178.463.80000113.1I66 R68 A73 I74 P100 Y101I66-V70 HydrophobicContact CG2-CB 4.04Å; I66-V70 HydrophobicContact CG2-CG2 3.76Å; R68-V70 PolarHBondContact O-N 2.78Å; R68-V70 VanDerWaalsContact O-N 3.11Å; V70-A73 PolarHBondContact O-N 3.1Å; V70-I74 HydrophobicContact CG2-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CD1 3.46Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.43Å; V70-I74 PolarHBondContact O-N 3.33Å; V70-P100 HydrophobicContact CG2-CB 3.49Å; V70-P100 VanDerWaalsContact CG2-CB 3.49Å; V70-P100 HydrophobicContact CG2-CG 4.42Å; V70-Y101 HydrophobicContact CG1-CE2 4.41Å; V70-Y101 HydrophobicContact CG2-CD2 4.44Å; V70-Y101 HydrophobicContact CG2-CE2 4.03Å
71N96.8Very high96.4Very high90 Ų9031.6 Ų31.648%0.48116%0.157SC..Hα-helixtrans-72.3-44.5-175-73.9-35.2000111.2D69 A73 I74 M75 Y101D69-N71 VanDerWaalsContact C-N 3.3Å; D69-N71 PolarHBondContact O-N 3.42Å; D69-N71 PolarHBondContact OD1-N 2.81Å; N71-A73 VanDerWaalsContact C-N 3.33Å; N71-A73 PolarHBondContact O-N 2.89Å; N71-I74 PolarHBondContact O-N 2.96Å; N71-M75 WeakPolarHBondContact O-CG 3.45Å; N71-M75 PolarHBondContact O-N 3.43Å; N71-Y101 PolarHBondContact OD1-OH 3.43Å
72T96.4Very high96.4Very high23 Ų2338.2 Ų38.214%0.14118%0.183CC..Hα-helixtrans-59.3-46.3173.1-670000110.6Q41 D69 I74 M75 E76Q41-T72 HydrophobicContact CG-CG2 4.36Å; Q41-T72 PolarHBondContact NE2-OG1 3.47Å; D69-T72 VanDerWaalsContact CG-CB 3.46Å; D69-T72 PolarHBondContact OD1-N 2.98Å; D69-T72 VanDerWaalsContact OD1-N 3.17Å; D69-T72 PolarHBondContact OD1-OG1 3.01Å; D69-T72 VanDerWaalsContact OD2-CB 3.24Å; D69-T72 WeakPolarHBondContact OD2-CB 3.47Å; D69-T72 PolarHBondContact OD2-OG1 3.46Å; T72-I74 VanDerWaalsContact C-N 3.28Å; T72-I74 PolarHBondContact O-N 3.47Å; T72-M75 CarbonylContact O-C 3.59Å; T72-M75 PolarHBondContact O-N 3.29Å; T72-E76 HydrophobicContact CG2-CG 4.17Å; T72-E76 WeakPolarHBondContact O-CG 3.45Å; T72-E76 PolarHBondContact O-N 3.46Å
73A96.7Very high96.4Very high0 Ų039.2 Ų39.20%019%0.192CC..Hα-helixtrans-61.4-35.6179.200000112.8Q64 I66 P67 D69 V70 N71 L77Q64-A73 PolarHBondContact NE2-O 3.46Å; I66-A73 HydrophobicContact CD1-CB 4.12Å; P67-A73 HydrophobicContact CG-CB 4.19Å; D69-A73 PolarHBondContact O-N 3.34Å; V70-A73 PolarHBondContact O-N 3.1Å; N71-A73 VanDerWaalsContact C-N 3.33Å; N71-A73 PolarHBondContact O-N 2.89Å; A73-L77 WeakPolarHBondContact O-CB 3.27Å; A73-L77 PolarHBondContact O-N 2.91Å; A73-L77 VanDerWaalsContact O-N 3.14Å
74I97.8Very high96.4Very high14 Ų1439.2 Ų39.27%0.07219%0.192CC..Hα-helixtrans-66-43.7172.9-72164.1000110.8V70 N71 T72 L77 L78 P100 Y101 L118V70-I74 HydrophobicContact CG2-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CD1 3.46Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.43Å; V70-I74 PolarHBondContact O-N 3.33Å; N71-I74 PolarHBondContact O-N 2.96Å; T72-I74 VanDerWaalsContact C-N 3.28Å; T72-I74 PolarHBondContact O-N 3.47Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-L78 HydrophobicContact CG2-CD1 3.64Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.26Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3.24Å; I74-P100 HydrophobicContact CD1-CB 4.27Å; I74-P100 HydrophobicContact CD1-CG 4Å; I74-P100 HydrophobicContact CG1-CG 3.97Å; I74-Y101 HydrophobicContact CD1-CD2 3.63Å; I74-Y101 HydrophobicContact CD1-CE2 3.38Å; I74-L118 HydrophobicContact CD1-CD1 4.11Å; I74-L118 HydrophobicContact CD1-CD2 4.21Å; I74-L118 HydrophobicContact CG1-CD1 4.18Å; I74-L118 HydrophobicContact CG2-CD1 3.62Å
75M98.1Very high96.4Very high90 Ų9044 Ų4444%0.44321%0.212SC..Hα-helixtrans-65.1-42.7178.2-69.2-55-60.800112.3N71 T72 L77 L78 V79N71-M75 WeakPolarHBondContact O-CG 3.45Å; N71-M75 PolarHBondContact O-N 3.43Å; T72-M75 CarbonylContact O-C 3.59Å; T72-M75 PolarHBondContact O-N 3.29Å; M75-L77 VanDerWaalsContact C-N 3.3Å; M75-L77 PolarHBondContact O-N 3.37Å; M75-L78 PolarHBondContact O-N 2.95Å; M75-L78 HydrophobicContact SD-CD1 4.2Å; M75-V79 WeakPolarHBondContact O-CB 3.39Å; M75-V79 WeakPolarHBondContact O-CG2 3.35Å; M75-V79 PolarHBondContact O-N 3.28Å
76E97.9Very high96.4Very high2 Ų248 Ų481%0.00924%0.237CC..Hα-helixtrans-53.6-48172.9-73.1174.916500111.4A13 S15 V39 T47 Q64 T72 M80A13-E76 WeakPolarHBondContact O-CB 3.28Å; S15-E76 WeakPolarHBondContact CB-OE1 3.29Å; S15-E76 PolarHBondContact OG-OE1 3.39Å; V39-E76 HydrophobicContact CG1-CB 4.29Å; V39-E76 HydrophobicContact CG1-CG 3.77Å; T47-E76 HydrophobicContact CG2-CB 4.19Å; T47-E76 HydrophobicContact CG2-CG 3.52Å; Q64-E76 PolarHBondContact NE2-OE2 3.18Å; T72-E76 HydrophobicContact CG2-CG 4.17Å; T72-E76 WeakPolarHBondContact O-CG 3.45Å; T72-E76 PolarHBondContact O-N 3.46Å; E76-M80 VanDerWaalsContact O-CB 3.24Å; E76-M80 WeakPolarHBondContact O-CB 3.35Å; E76-M80 PolarHBondContact O-N 2.97Å
77L98.1Very high96.5Very high7 Ų751.6 Ų51.64%0.03726%0.256CS..Hα-helixtrans-64.7-47.1178.4175.261.3000112.4I62 Q64 A73 I74 M75 M80 A81 I96 L122I62-L77 HydrophobicContact CB-CD1 4.28Å; I62-L77 HydrophobicContact CD1-CD1 4.4Å; I62-L77 HydrophobicContact CG2-CD1 3.68Å; Q64-L77 HydrophobicContact CB-CD1 4.21Å; Q64-L77 HydrophobicContact CB-CD2 4.34Å; Q64-L77 HydrophobicContact CG-CB 4.11Å; Q64-L77 HydrophobicContact CG-CD2 4.35Å; A73-L77 WeakPolarHBondContact O-CB 3.27Å; A73-L77 PolarHBondContact O-N 2.91Å; A73-L77 VanDerWaalsContact O-N 3.14Å; I74-L77 PolarHBondContact O-N 3.44Å; M75-L77 VanDerWaalsContact C-N 3.3Å; M75-L77 PolarHBondContact O-N 3.37Å; L77-M80 PolarHBondContact O-N 2.98Å; L77-A81 VanDerWaalsContact O-CB 3.26Å; L77-A81 WeakPolarHBondContact O-CB 3.38Å; L77-A81 PolarHBondContact O-N 2.78Å; L77-I96 HydrophobicContact CD2-CD1 3.44Å; L77-I96 VanDerWaalsContact CD2-CD1 3.44Å; L77-I96 HydrophobicContact CD2-CG1 4.14Å; L77-L122 HydrophobicContact CD2-CD2 3.61Å; L77-L122 HydrophobicContact CG-CD2 4.05Å
78L98.6Very high96.8Very high17 Ų1752.5 Ų52.59%0.08926%0.263CS..Hα-helixtrans-63.9-44.2-179.3-70.5169.2000111.6I74 M75 A81 Y82 M121 L122 A125I74-L78 HydrophobicContact CG2-CD1 3.64Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.26Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3.24Å; M75-L78 PolarHBondContact O-N 2.95Å; M75-L78 HydrophobicContact SD-CD1 4.2Å; L78-A81 PolarHBondContact O-N 2.81Å; L78-Y82 VanDerWaalsContact O-CB 3.31Å; L78-Y82 WeakPolarHBondContact O-CB 3.4Å; L78-Y82 PolarHBondContact O-N 2.75Å; L78-M121 HydrophobicContact CD1-CB 4.48Å; L78-M121 HydrophobicContact CD1-CE 3.68Å; L78-M121 HydrophobicContact CD2-CB 4.1Å; L78-L122 HydrophobicContact CD2-CD2 3.85Å; L78-L122 HydrophobicContact CD2-CG 4.37Å; L78-A125 HydrophobicContact CB-CB 4.44Å; L78-A125 HydrophobicContact CD2-CB 3.62Å
79V98.3Very high97.3Very high47 Ų4743.6 Ų43.629%0.28523%0.233SC..Hα-helixtrans-67.1-43.1178.9176.60000110.3V49 M75 Y82 A83V49-V79 HydrophobicContact CB-CG1 3.96Å; V49-V79 HydrophobicContact CG2-CB 4.1Å; V49-V79 HydrophobicContact CG2-CG1 3.82Å; M75-V79 WeakPolarHBondContact O-CB 3.39Å; M75-V79 WeakPolarHBondContact O-CG2 3.35Å; M75-V79 PolarHBondContact O-N 3.28Å; V79-Y82 PolarHBondContact O-N 3.03Å; V79-A83 WeakPolarHBondContact O-CB 3.39Å; V79-A83 PolarHBondContact O-N 3.05Å
80M98.3Very high97.4Very high0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-61.9-47.2175.7-176.6169.3-73.500111.9F11 S12 A13 V39 V49 I62 E76 L77 Y82 A83 L84F11-M80 HydrophobicContact CB-SD 3.94Å; S12-M80 WeakPolarHBondContact O-CE 3.41Å; A13-M80 HydrophobicContact CB-CB 4.36Å; A13-M80 HydrophobicContact CB-CE 4.11Å; A13-M80 HydrophobicContact CB-SD 3.71Å; V39-M80 HydrophobicContact CG2-CE 3.47Å; V39-M80 VanDerWaalsContact CG2-CE 3.47Å; V49-M80 HydrophobicContact CG1-CB 3.95Å; V49-M80 HydrophobicContact CG1-CE 3.65Å; V49-M80 HydrophobicContact CG1-CG 4.13Å; V49-M80 HydrophobicContact CG2-CB 4.33Å; I62-M80 HydrophobicContact CD1-CG 4.2Å; I62-M80 HydrophobicContact CG1-SD 4.46Å; I62-M80 HydrophobicContact CG2-CG 4.42Å; I62-M80 HydrophobicContact CG2-SD 3.72Å; E76-M80 VanDerWaalsContact O-CB 3.24Å; E76-M80 WeakPolarHBondContact O-CB 3.35Å; E76-M80 PolarHBondContact O-N 2.97Å; L77-M80 PolarHBondContact O-N 2.98Å; M80-Y82 VanDerWaalsContact C-N 3.33Å; M80-Y82 PolarHBondContact O-N 3.44Å; M80-A83 PolarHBondContact O-N 3.04Å; M80-L84 HydrophobicContact CG-CD1 3.9Å; M80-L84 HydrophobicContact CG-CG 4.45Å; M80-L84 VanDerWaalsContact O-CG 3.28Å; M80-L84 WeakPolarHBondContact O-CG 3.43Å; M80-L84 PolarHBondContact O-N 2.74Å
81A98.3Very high97.5Very high0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-59-44.2176.700000112.1I62 L77 L78 L84 K85 A125 L127I62-A81 HydrophobicContact CD1-CB 3.99Å; L77-A81 VanDerWaalsContact O-CB 3.26Å; L77-A81 WeakPolarHBondContact O-CB 3.38Å; L77-A81 PolarHBondContact O-N 2.78Å; L78-A81 PolarHBondContact O-N 2.81Å; A81-L84 PolarHBondContact O-N 3.48Å; A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.43Å; A81-A125 HydrophobicContact CB-CB 4.21Å; A81-L127 HydrophobicContact CB-CD1 3.34Å
82Y98.4Very high97.5Very high140 Ų14043 Ų4355%0.54922%0.223SC..Hα-helixtrans-67-38178.8-168.9-105.2000112.4L78 V79 M80 K85 T86 A125L78-Y82 VanDerWaalsContact O-CB 3.31Å; L78-Y82 WeakPolarHBondContact O-CB 3.4Å; L78-Y82 PolarHBondContact O-N 2.75Å; V79-Y82 PolarHBondContact O-N 3.03Å; M80-Y82 VanDerWaalsContact C-N 3.33Å; M80-Y82 PolarHBondContact O-N 3.44Å; Y82-K85 PolarHBondContact O-N 2.89Å; Y82-T86 WeakPolarHBondContact O-CB 3.24Å; Y82-T86 PolarHBondContact O-N 2.79Å; Y82-T86 PolarHBondContact O-OG1 2.92Å; Y82-A125 WeakPolarHBondContact CA-O 3.4Å
83A98.1Very high97.6Very high22 Ų2242.2 Ų42.218%0.18222%0.217CC..Hα-helixtrans-62.7-44.9173.400000111.5V51 V79 M80 K85 T86 N87V51-A83 HydrophobicContact CG2-CB 4.46Å; V79-A83 WeakPolarHBondContact O-CB 3.39Å; V79-A83 PolarHBondContact O-N 3.05Å; M80-A83 PolarHBondContact O-N 3.04Å; A83-K85 PolarHBondContact O-N 2.9Å; A83-T86 PolarHBondContact O-N 2.74Å; A83-N87 PolarHBondContact O-N 2.84Å; A83-N87 PolarHBondContact O-ND2 3.2Å
84L97.8Very high97.7Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-64.7-40177.8-69.7166.2000112.1F11 V51 V55 I60 I62 M80 A81 N87 C88 A89 I92F11-L84 HydrophobicContact CE2-CD2 4.22Å; V51-L84 HydrophobicContact CG1-CD2 4.31Å; V51-L84 HydrophobicContact CG2-CD2 4.08Å; V51-L84 HydrophobicContact CG2-CG 4.45Å; V55-L84 HydrophobicContact CB-CD2 4.07Å; V55-L84 HydrophobicContact CG1-CD2 3.69Å; V55-L84 HydrophobicContact CG2-CD2 3.84Å; I60-L84 HydrophobicContact CG2-CD1 3.73Å; I60-L84 HydrophobicContact CG2-CD2 4.13Å; I62-L84 HydrophobicContact CD1-CD1 3.47Å; I62-L84 VanDerWaalsContact CD1-CD1 3.47Å; I62-L84 HydrophobicContact CG1-CD1 3.6Å; M80-L84 HydrophobicContact CG-CD1 3.9Å; M80-L84 HydrophobicContact CG-CG 4.45Å; M80-L84 VanDerWaalsContact O-CG 3.28Å; M80-L84 WeakPolarHBondContact O-CG 3.43Å; M80-L84 PolarHBondContact O-N 2.74Å; A81-L84 PolarHBondContact O-N 3.48Å; L84-N87 CarbonylContact O-C 3.55Å; L84-N87 PolarHBondContact O-N 3.24Å; L84-C88 PolarHBondContact O-N 3.09Å; L84-A89 HydrophobicContact CB-CB 4.36Å; L84-A89 VanDerWaalsContact O-CB 3.32Å; L84-A89 WeakPolarHBondContact O-CB 3.48Å; L84-A89 PolarHBondContact O-N 3.04Å; L84-A89 VanDerWaalsContact O-N 3.11Å; L84-I92 HydrophobicContact CB-CD1 3.89Å; L84-I92 HydrophobicContact CB-CG1 4.4Å
85K97.8Very high97.7Very high99 Ų9941.5 Ų41.543%0.4321%0.214SC..Hα-helixtrans-61.6-46.2173.7177.6175.6177.3173.40111.7A81 Y82 A83 N87 C88 I92 K124 A125A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.43Å; Y82-K85 PolarHBondContact O-N 2.89Å; A83-K85 PolarHBondContact O-N 2.9Å; K85-N87 PolarHBondContact O-N 3.05Å; K85-C88 PolarHBondContact O-N 2.97Å; K85-I92 HydrophobicContact CB-CD1 3.77Å; K85-K124 PolarHBondContact NZ-O 3.44Å; K85-A125 WeakPolarHBondContact CD-O 3.43Å
86T97.6Very high97.8Very high87 Ų8737.3 Ų37.353%0.53419%0.193SC..Hα-helixtrans-61.6-34.5177.9-57.10000111.4Y82 A83 C88Y82-T86 WeakPolarHBondContact O-CB 3.24Å; Y82-T86 PolarHBondContact O-N 2.79Å; Y82-T86 PolarHBondContact O-OG1 2.92Å; A83-T86 PolarHBondContact O-N 2.74Å; T86-C88 PolarHBondContact O-N 3.2Å
87N96.5Very high97.8Very high84 Ų8437.2 Ų37.245%0.44919%0.192SC..THydrogen-bonded Turntrans-8317.3175.2-72.4-71000114.2V55 A83 L84 K85 A89V55-N87 HydrophobicContact CG2-CB 3.54Å; A83-N87 PolarHBondContact O-N 2.84Å; A83-N87 PolarHBondContact O-ND2 3.2Å; L84-N87 CarbonylContact O-C 3.55Å; L84-N87 PolarHBondContact O-N 3.24Å; K85-N87 PolarHBondContact O-N 3.05Å; N87-A89 PolarHBondContact O-N 3.04Å
88C96.3Very high97.8Very high57 Ų5737.6 Ų37.639%0.38519%0.194SC..THydrogen-bonded Turntrans59.938174.3-49.30000114.3R56 G57 L84 K85 T86R56-C88 HydrophobicContact CG-CB 4.28Å; G57-C88 PolarHBondContact N-O 3.5Å; L84-C88 PolarHBondContact O-N 3.09Å; K85-C88 PolarHBondContact O-N 2.97Å; T86-C88 PolarHBondContact O-N 3.2Å
89A96.8Very high97.8Very high18 Ų1836.9 Ų36.915%0.14919%0.19CC..  trans-56.1142.5164.300000110.3V55 I60 L84 N87 I92V55-A89 WeakPolarHBondContact O-CA 3.41Å; I60-A89 HydrophobicContact CG1-CB 3.71Å; L84-A89 HydrophobicContact CB-CB 4.36Å; L84-A89 VanDerWaalsContact O-CB 3.32Å; L84-A89 WeakPolarHBondContact O-CB 3.48Å; L84-A89 PolarHBondContact O-N 3.04Å; L84-A89 VanDerWaalsContact O-N 3.11Å; N87-A89 PolarHBondContact O-N 3.04Å; A89-I92 HydrophobicContact CB-CD1 4.16Å; A89-I92 HydrophobicContact CB-CG1 3.83Å
90K95.3Very high97.7Very high134 Ų13434.9 Ų34.958%0.58318%0.178SC*.SBendtrans-76-53.7-177.7-180-172.4171.5-162.90110.8Q58Q58-K90 PolarHBondContact O-N 2.99Å
91N96.8Very high97.6Very high59 Ų5937.5 Ų37.532%0.31619%0.188SC..EExtended strand (participates in β ladder)trans-129.4141.2174.2-65.1-64.6000108.9D59 I60 I93D59-N91 WeakPolarHBondContact OD1-CB 3.1Å; D59-N91 PolarHBondContact OD1-ND2 3.02Å; I60-N91 PolarHBondContact N-O 3.03Å; N91-I93 HydrophobicContact CB-CD1 3.85Å
92I98.2Very high97.5Very high4 Ų437.7 Ų37.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-122.6107.5176.8-55.3173.7000107.1I62 L84 K85 A89 L127 T128 H129I62-I92 HydrophobicContact CD1-CG2 3.6Å; I62-I92 HydrophobicContact CG1-CG2 4.26Å; L84-I92 HydrophobicContact CB-CD1 3.89Å; L84-I92 HydrophobicContact CB-CG1 4.4Å; K85-I92 HydrophobicContact CB-CD1 3.77Å; A89-I92 HydrophobicContact CB-CD1 4.16Å; A89-I92 HydrophobicContact CB-CG1 3.83Å; I92-L127 HydrophobicContact CG2-CD1 4.34Å; I92-T128 PolarHBondContact N-OG1 2.8Å; I92-T128 PolarHBondContact O-N 2.89Å; I92-T128 PolarHBondContact O-OG1 3.44Å; I92-H129 PolarHBondContact O-N 3.12Å
93I98.6Very high97.3Very high5 Ų535.8 Ų35.83%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-103.6118.3-178-56.690.6000108.1I60 F61 I62 N91 H129 I131I60-I93 WeakPolarHBondContact O-CD1 3.37Å; I60-I93 PolarHBondContact O-N 3.5Å; F61-I93 CarbonylContact C-O 3.6Å; F61-I93 WeakPolarHBondContact CA-O 3.33Å; F61-I93 HydrophobicContact CD1-CB 3.6Å; F61-I93 HydrophobicContact CD1-CD1 4.31Å; F61-I93 HydrophobicContact CD1-CG1 4.22Å; F61-I93 HydrophobicContact CD1-CG2 3.69Å; F61-I93 HydrophobicContact CE1-CB 3.81Å; F61-I93 HydrophobicContact CE1-CD1 4.02Å; F61-I93 HydrophobicContact CE1-CG1 3.94Å; F61-I93 HydrophobicContact CE1-CG2 3.8Å; F61-I93 HydrophobicContact CE2-CD1 4.38Å; F61-I93 HydrophobicContact CG-CB 4.33Å; F61-I93 HydrophobicContact CZ-CD1 4.06Å; F61-I93 HydrophobicContact CZ-CG1 4.43Å; I62-I93 PolarHBondContact N-O 3.26Å; N91-I93 HydrophobicContact CB-CD1 3.85Å; I93-H129 CarbonylContact C-O 3.51Å; I93-H129 WeakPolarHBondContact CA-O 3.32Å; I93-H129 HydrophobicContact CB-CB 4.39Å; I93-H129 HydrophobicContact CG1-CB 3.92Å; I93-H129 HydrophobicContact CG2-CB 4.1Å; I93-I131 HydrophobicContact CG2-CD1 4.15Å; I93-I131 HydrophobicContact CG2-CG1 3.94Å
94G98.4Very high97.1Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-83.6118.1172.900000110.5H129 I130 I131G94-H129 PolarHBondContact N-O 2.97Å; G94-I130 CarbonylContact O-C 3.58Å; G94-I130 WeakPolarHBondContact O-CA 3.37Å; G94-I130 WeakPolarHBondContact O-CG1 3.49Å; G94-I131 PolarHBondContact O-N 2.99Å
95V98.5Very high96.9Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-97.598170-1740000107F61 I62 I63 Q64 P97 I131 L350 I354F61-V95 HydrophobicContact CB-CG2 4.33Å; F61-V95 HydrophobicContact CD1-CG2 4.13Å; I62-V95 PolarHBondContact O-N 2.9Å; I63-V95 WeakPolarHBondContact CA-O 3.34Å; I63-V95 HydrophobicContact CG1-CB 4.06Å; I63-V95 HydrophobicContact CG1-CG1 4.41Å; I63-V95 HydrophobicContact CG1-CG2 4.45Å; Q64-V95 PolarHBondContact N-O 2.9Å; V95-P97 WeakPolarHBondContact O-CD 3.45Å; V95-I131 CarbonylContact C-O 3.52Å; V95-I131 WeakPolarHBondContact CA-O 3.38Å; V95-I131 HydrophobicContact CG1-CB 4.47Å; V95-I131 HydrophobicContact CG2-CB 4.41Å; V95-I131 HydrophobicContact CG2-CD1 3.99Å; V95-I131 HydrophobicContact CG2-CG1 4.47Å; V95-L350 HydrophobicContact CG1-CD2 4.11Å; V95-I354 HydrophobicContact CG2-CD1 4.04Å; V95-I354 HydrophobicContact CG2-CG1 4.05Å
96I98.4Very high96.5Very high1 Ų139.7 Ų39.71%0.00520%0.199CC..  trans-121.184.5-173.2-46.6179.6000107.8L77 Y98 F99 L122 I130 I131 T132L77-I96 HydrophobicContact CD2-CD1 3.44Å; L77-I96 VanDerWaalsContact CD2-CD1 3.44Å; L77-I96 HydrophobicContact CD2-CG1 4.14Å; I96-Y98 VanDerWaalsContact C-N 3.35Å; I96-Y98 WeakPolarHBondContact CG2-O 3.35Å; I96-Y98 PolarHBondContact O-N 3.28Å; I96-F99 HydrophobicContact CD1-CD2 4.39Å; I96-F99 HydrophobicContact CD1-CE2 4.32Å; I96-F99 HydrophobicContact CG2-CD2 4.25Å; I96-L122 HydrophobicContact CD1-CD1 4.21Å; I96-I130 HydrophobicContact CB-CD1 4.24Å; I96-I130 HydrophobicContact CB-CG1 4.48Å; I96-I130 HydrophobicContact CD1-CD1 3.67Å; I96-I130 HydrophobicContact CD1-CG1 4.16Å; I96-I130 HydrophobicContact CG1-CD1 4.15Å; I96-I130 HydrophobicContact CG1-CG1 4.24Å; I96-I131 PolarHBondContact N-O 3.13Å; I96-T132 VanDerWaalsContact O-CA 3.31Å; I96-T132 WeakPolarHBondContact O-CA 3.45Å; I96-T132 VanDerWaalsContact O-CB 3.25Å; I96-T132 WeakPolarHBondContact O-CB 3.26Å; I96-T132 PolarHBondContact O-OG1 3.38Å
97P98.1Very high96.1Very high0 Ų041.4 Ų41.40%020%0.202CC..SBendtrans-58.7-43.4-169.9-24.734.6000113L22 Q64 V95 M133 H304 T328 L350L22-P97 HydrophobicContact CD2-CB 4.23Å; L22-P97 HydrophobicContact CD2-CG 3.6Å; Q64-P97 WeakPolarHBondContact O-CD 3.31Å; V95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-M133 PolarHBondContact O-N 3.22Å; P97-M133 VanDerWaalsContact O-N 3.14Å; P97-H304 PolarHBondContact O-CE1 3.13Å; P97-T328 HydrophobicContact CB-CG2 3.79Å; P97-L350 HydrophobicContact CB-CD1 4.2Å; P97-L350 HydrophobicContact CG-CD1 3.87Å
98Y98.3Very high95.4Very high16 Ų1645.9 Ų45.96%0.06321%0.213CC..SBendtrans-107.6116.4167.3167.2-115.7000109.7I66 I96 P100 I276 H304 L306 V329I66-Y98 HydrophobicContact CB-CD1 3.99Å; I66-Y98 HydrophobicContact CB-CE1 4.47Å; I66-Y98 HydrophobicContact CG1-CD1 4.05Å; I96-Y98 VanDerWaalsContact C-N 3.35Å; I96-Y98 WeakPolarHBondContact CG2-O 3.35Å; I96-Y98 PolarHBondContact O-N 3.28Å; Y98-P100 WeakPolarHBondContact O-CD 3.29Å; Y98-I276 HydrophobicContact CE2-CD1 3.93Å; Y98-I276 HydrophobicContact CE2-CG1 4.27Å; Y98-H304 HydrophobicContact CD2-CB 3.94Å; Y98-H304 AromaticContact CD2-CD2 3.79Å; Y98-H304 AromaticContact CD2-CG 3.55Å; Y98-H304 AromaticContact CD2-ND1 3.76Å; Y98-H304 HydrophobicContact CG-CB 4.48Å; Y98-L306 HydrophobicContact CD1-CD1 4.09Å; Y98-L306 HydrophobicContact CD2-CD1 4.22Å; Y98-L306 HydrophobicContact CE1-CD1 3.84Å; Y98-L306 HydrophobicContact CE1-CD2 3.95Å; Y98-L306 HydrophobicContact CE1-CG 4.17Å; Y98-L306 HydrophobicContact CE2-CD1 3.98Å; Y98-L306 HydrophobicContact CG-CD1 4.28Å; Y98-V329 HydrophobicContact CD1-CG2 3.78Å; Y98-V329 HydrophobicContact CG-CG2 3.75Å
99F98.2Very high94.7Very high2 Ų246.2 Ų46.21%0.00921%0.208CC..  trans-80.5115.7178.8-164.6-104.9000111.2I96 S102 L118 L122 I130 L135 F144I96-F99 HydrophobicContact CD1-CD2 4.39Å; I96-F99 HydrophobicContact CD1-CE2 4.32Å; I96-F99 HydrophobicContact CG2-CD2 4.25Å; F99-S102 WeakPolarHBondContact O-CB 3.46Å; F99-S102 PolarHBondContact O-OG 3.42Å; F99-L118 HydrophobicContact CE1-CD2 3.95Å; F99-L118 HydrophobicContact CE1-CG 4.5Å; F99-L118 HydrophobicContact CE2-CD2 4.34Å; F99-L118 HydrophobicContact CZ-CD2 3.73Å; F99-L118 HydrophobicContact CZ-CG 3.98Å; F99-L122 HydrophobicContact CE2-CD1 3.61Å; F99-L122 HydrophobicContact CZ-CD1 3.9Å; F99-I130 HydrophobicContact CD2-CD1 3.67Å; F99-I130 HydrophobicContact CE2-CD1 3.67Å; F99-L135 HydrophobicContact CB-CD2 3.64Å; F99-L135 HydrophobicContact CD1-CD2 4.35Å; F99-L135 HydrophobicContact CG-CD2 4.11Å; F99-F144 HydrophobicContact CD2-CZ 4.18Å; F99-F144 AromaticContact CE1-CZ 3.96Å; F99-F144 HydrophobicContact CE1-CZ 3.96Å; F99-F144 AromaticContact CE2-CE1 3.9Å; F99-F144 HydrophobicContact CE2-CE1 3.9Å; F99-F144 AromaticContact CE2-CZ 3.53Å; F99-F144 HydrophobicContact CE2-CZ 3.53Å; F99-F144 AromaticContact CZ-CE1 3.84Å; F99-F144 HydrophobicContact CZ-CE1 3.84Å; F99-F144 HydrophobicContact CZ-CE2 4.48Å; F99-F144 AromaticContact CZ-CZ 3.4Å; F99-F144 HydrophobicContact CZ-CZ 3.4Å
100P97.2Very high94.1Very high5 Ų553 Ų533%0.03223%0.23CC..THydrogen-bonded Turntrans-70.7160.1-176.829.2-32.4000111.4I66 V70 I74 Y98 S102 L118I66-P100 HydrophobicContact CD1-CB 4.35Å; I66-P100 HydrophobicContact CD1-CG 3.84Å; I66-P100 HydrophobicContact CG1-CB 4.23Å; I66-P100 HydrophobicContact CG1-CG 4.11Å; I66-P100 HydrophobicContact CG2-CB 4.39Å; V70-P100 HydrophobicContact CG2-CB 3.49Å; V70-P100 VanDerWaalsContact CG2-CB 3.49Å; V70-P100 HydrophobicContact CG2-CG 4.42Å; I74-P100 HydrophobicContact CD1-CB 4.27Å; I74-P100 HydrophobicContact CD1-CG 4Å; I74-P100 HydrophobicContact CG1-CG 3.97Å; Y98-P100 WeakPolarHBondContact O-CD 3.29Å; P100-S102 PolarHBondContact O-N 2.94Å; P100-L118 HydrophobicContact CG-CD2 3.78Å; P100-L118 WeakPolarHBondContact O-CD2 3.34Å
101Y97.1Very high93.6Very high55 Ų5548.7 Ų48.722%0.21622%0.223CC..THydrogen-bonded Turntrans59.39.3-174.5-67.8-87.7000115.4V70 N71 I74 K103 Q104 V114 C115 L118V70-Y101 HydrophobicContact CG1-CE2 4.41Å; V70-Y101 HydrophobicContact CG2-CD2 4.44Å; V70-Y101 HydrophobicContact CG2-CE2 4.03Å; N71-Y101 PolarHBondContact OD1-OH 3.43Å; I74-Y101 HydrophobicContact CD1-CD2 3.63Å; I74-Y101 HydrophobicContact CD1-CE2 3.38Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.44Å; Y101-Q104 CarbonylContact O-C 3.52Å; Y101-Q104 WeakPolarHBondContact O-CA 3.4Å; Y101-Q104 WeakPolarHBondContact O-CB 3.45Å; Y101-Q104 PolarHBondContact O-N 3.35Å; Y101-V114 HydrophobicContact CD1-CB 4.05Å; Y101-V114 HydrophobicContact CD1-CG1 3.42Å; Y101-V114 VanDerWaalsContact CD1-CG1 3.42Å; Y101-V114 HydrophobicContact CE1-CG1 3.85Å; Y101-V114 HydrophobicContact CG-CG1 3.86Å; Y101-C115 WeakPolarHBondContact O-CB 3.48Å; Y101-L118 HydrophobicContact CD2-CD2 4.29Å
102S95.8Very high93.3Very high3 Ų349.6 Ų49.62%0.02123%0.234CC..G310 helixtrans-62.2-32.6-179.353.80000113.7F99 P100 Q104 C105F99-S102 WeakPolarHBondContact O-CB 3.46Å; F99-S102 PolarHBondContact O-OG 3.42Å; P100-S102 PolarHBondContact O-N 2.94Å; S102-Q104 PolarHBondContact O-N 2.78Å; S102-C105 VanDerWaalsContact O-CB 3.24Å; S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 2.94Å; S102-C105 PolarHBondContact O-SG 3.44Å
103K93.2Very high93.2Very high100 Ų10052.3 Ų52.344%0.43525%0.248SC..G310 helixtrans-61.6-23.5170-69.7172.769.9175.80112.7Y101 C105 I276 D278Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.44Å; K103-C105 VanDerWaalsContact C-N 3.32Å; K103-C105 PolarHBondContact O-N 3.36Å; K103-I276 HydrophobicContact CD-CD1 4.24Å; K103-I276 HydrophobicContact CG-CD1 3.99Å; K103-D278 IonicContact NZ-OD2 2.65Å; K103-D278 PolarHBondContact NZ-OD2 2.93Å
104Q94.1Very high93.1Very high88 Ų8853.4 Ų53.441%0.41126%0.255SS..G310 helixtrans-95.840.2177.2-54.5-175.524.800112.2Y101 S102 V114 C115Y101-Q104 CarbonylContact O-C 3.52Å; Y101-Q104 WeakPolarHBondContact O-CA 3.4Å; Y101-Q104 WeakPolarHBondContact O-CB 3.45Å; Y101-Q104 PolarHBondContact O-N 3.35Å; S102-Q104 PolarHBondContact O-N 2.78Å; Q104-V114 HydrophobicContact CB-CB 4.24Å; Q104-V114 PolarHBondContact O-N 2.93Å; Q104-C115 WeakPolarHBondContact O-CB 3.25Å; Q104-C115 PolarHBondContact O-N 3.02Å
105C93Very high93.1Very high9 Ų953.4 Ų53.46%0.06126%0.255CS..  trans-88-7.6178.559.70000114.5S102 K103 I113 C115 Q137 I140 F143S102-C105 VanDerWaalsContact O-CB 3.24Å; S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 2.94Å; S102-C105 PolarHBondContact O-SG 3.44Å; K103-C105 VanDerWaalsContact C-N 3.32Å; K103-C105 PolarHBondContact O-N 3.36Å; C105-I113 WeakPolarHBondContact O-CG2 3.42Å; C105-C115 HydrophobicContact CB-CB 4.18Å; C105-Q137 VanDerWaalsContact SG-CG 3.55Å; C105-I140 HydrophobicContact CB-CD1 3.69Å; C105-I140 HydrophobicContact CB-CG1 3.67Å; C105-F143 HydrophobicContact CB-CE2 3.99Å; C105-F143 HydrophobicContact CB-CZ 4.45Å
106K90.2Very high93.1Very high106 Ų10657.6 Ų57.646%0.46127%0.273SS..SBendtrans-122139.4177.6-65.5176.5-174.2169.60109.7R108K106-R108 PolarHBondContact O-N 2.93Å
107M88.8Confident93Very high123 Ų12362.3 Ų62.361%0.60630%0.297SS*.  trans-68.5120.2176-168.8171.679.100109.3G111 I113M107-G111 WeakPolarHBondContact CG-O 3.19Å; M107-I113 HydrophobicContact CB-CD1 4.31Å; M107-I113 HydrophobicContact CB-CG1 3.94Å
108R82.9Confident93.1Very high179 Ų17962.7 Ų62.768%0.67530%0.299SS*.  trans-104.2135.1174-58.7-62-173.9165.63.5108.9K106 R110 G111K106-R108 PolarHBondContact O-N 2.93Å; R108-R110 PolarHBondContact O-N 2.88Å; R108-G111 WeakPolarHBondContact O-CA 3.15Å; R108-G111 PolarHBondContact O-N 2.59Å
109K81.5Confident93.1Very high64 Ų6462 Ų6228%0.27830%0.297SS..THydrogen-bonded Turntrans49.1-125.3176.2-55.8-177.2-177.9163.20112.4S207 M209 D211K109-S207 WeakPolarHBondContact CE-O 3.37Å; K109-S207 PolarHBondContact NZ-O 3.13Å; K109-M209 WeakPolarHBondContact CE-O 3.38Å; K109-M209 PolarHBondContact NZ-O 3.01Å; K109-D211 HydrophobicContact CB-CB 3.9Å; K109-D211 HydrophobicContact CD-CB 3.82Å; K109-D211 HydrophobicContact CG-CB 3.59Å
110R82.8Confident93.1Very high161 Ų16164.4 Ų64.461%0.60831%0.314SS*.THydrogen-bonded Turntrans-98.638.7170.4-58.9-175.6-173.5-144.45.3111.6R108 G212 S215R108-R110 PolarHBondContact O-N 2.88Å; R110-G212 PolarHBondContact NH2-O 2.87Å; R110-S215 PolarHBondContact NH2-OG 3.46Å
111G85.5Confident93.1Very high42 Ų4267.8 Ų67.843%0.43333%0.33SS..  trans-95.8-167.6-179.800000113.4M107 R108M107-G111 WeakPolarHBondContact CG-O 3.19Å; R108-G111 WeakPolarHBondContact O-CA 3.15Å; R108-G111 PolarHBondContact O-N 2.59Å
112S91.7Very high93.2Very high78 Ų7865.2 Ų65.255%0.54532%0.321SS..  trans-122.2164.2178.562.50000111.6V114S112-V114 PolarHBondContact O-N 2.87Å; S112-V114 WeakPolarHBondContact OG-CG2 3.23Å
113I95.5Very high93.3Very high61 Ų6166.3 Ų66.331%0.31333%0.33SS..  trans-93.183.6171-56.2176.5000107.7C105 M107 C115 K116 L117 F143C105-I113 WeakPolarHBondContact O-CG2 3.42Å; M107-I113 HydrophobicContact CB-CD1 4.31Å; M107-I113 HydrophobicContact CB-CG1 3.94Å; I113-C115 PolarHBondContact O-N 2.8Å; I113-K116 HydrophobicContact CB-CB 4.26Å; I113-K116 HydrophobicContact CG2-CB 3.79Å; I113-K116 WeakPolarHBondContact O-CB 3.14Å; I113-K116 PolarHBondContact O-N 3.31Å; I113-L117 PolarHBondContact O-N 3.29Å; I113-F143 HydrophobicContact CG2-CE2 3.83Å; I113-F143 HydrophobicContact CG2-CZ 3.96Å
114V96.9Very high93.5Very high29 Ų2969.6 Ų69.618%0.17634%0.344CS..Hα-helixtrans-63.7-32.8-174.9-176.40000111.6Y101 Q104 S112 K116 L117 L118Y101-V114 HydrophobicContact CD1-CB 4.05Å; Y101-V114 HydrophobicContact CD1-CG1 3.42Å; Y101-V114 VanDerWaalsContact CD1-CG1 3.42Å; Y101-V114 HydrophobicContact CE1-CG1 3.85Å; Y101-V114 HydrophobicContact CG-CG1 3.86Å; Q104-V114 HydrophobicContact CB-CB 4.24Å; Q104-V114 PolarHBondContact O-N 2.93Å; S112-V114 PolarHBondContact O-N 2.87Å; S112-V114 WeakPolarHBondContact OG-CG2 3.23Å; V114-K116 PolarHBondContact O-N 2.82Å; V114-L117 WeakPolarHBondContact O-CB 3.5Å; V114-L117 PolarHBondContact O-N 3.08Å; V114-L117 VanDerWaalsContact O-N 3.11Å; V114-L118 PolarHBondContact O-N 3.13Å
115C97.5Very high93.7Very high0 Ų065.9 Ų65.90%033%0.328CS..Hα-helixtrans-56.1-37.7173.7-169.90000112.5Y101 Q104 C105 I113 A119 F143Y101-C115 WeakPolarHBondContact O-CB 3.48Å; Q104-C115 WeakPolarHBondContact O-CB 3.25Å; Q104-C115 PolarHBondContact O-N 3.02Å; C105-C115 HydrophobicContact CB-CB 4.18Å; I113-C115 PolarHBondContact O-N 2.8Å; C115-A119 PolarHBondContact O-N 3.48Å; C115-A119 VanDerWaalsContact O-N 3.1Å; C115-F143 HydrophobicContact CB-CD2 4.21Å; C115-F143 HydrophobicContact CB-CE2 4.05Å
116K97.8Very high93.9Very high88 Ų8865.8 Ų65.838%0.38333%0.329SS..Hα-helixtrans-74.1-37.7177.4173.658.9-174.7-117.90111.9I113 V114 L118 A119 S120 F143I113-K116 HydrophobicContact CB-CB 4.26Å; I113-K116 HydrophobicContact CG2-CB 3.79Å; I113-K116 WeakPolarHBondContact O-CB 3.14Å; I113-K116 PolarHBondContact O-N 3.31Å; V114-K116 PolarHBondContact O-N 2.82Å; K116-L118 VanDerWaalsContact C-N 3.34Å; K116-A119 PolarHBondContact O-N 2.86Å; K116-S120 PolarHBondContact O-N 3.34Å; K116-S120 PolarHBondContact O-OG 3.45Å; K116-F143 HydrophobicContact CB-CB 4.5Å; K116-F143 HydrophobicContact CB-CD2 3.99Å; K116-F143 HydrophobicContact CB-CE2 4.33Å; K116-F143 HydrophobicContact CB-CG 4.12Å; K116-F143 HydrophobicContact CD-CB 3.69Å; K116-F143 HydrophobicContact CD-CD1 4.28Å; K116-F143 HydrophobicContact CD-CG 3.98Å; K116-F143 WeakPolarHBondContact CD-O 3.24Å; K116-F143 WeakPolarHBondContact CE-O 3.43Å; K116-F143 PolarHBondContact NZ-O 2.99Å
117L98.1Very high94.3Very high99 Ų9961.1 Ų61.152%0.51831%0.309SS..Hα-helixtrans-57.9-49.6172.6171.962.7000110.1I113 V114 A119 S120 M121I113-L117 PolarHBondContact O-N 3.29Å; V114-L117 WeakPolarHBondContact O-CB 3.5Å; V114-L117 PolarHBondContact O-N 3.08Å; V114-L117 VanDerWaalsContact O-N 3.11Å; L117-A119 PolarHBondContact O-N 2.86Å; L117-S120 WeakPolarHBondContact O-CB 3.37Å; L117-S120 PolarHBondContact O-N 3.09Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-M121 HydrophobicContact CD1-CG 4.25Å; L117-M121 HydrophobicContact CD1-SD 4.16Å; L117-M121 HydrophobicContact CG-SD 3.98Å; L117-M121 WeakPolarHBondContact O-CG 3.47Å; L117-M121 PolarHBondContact O-N 2.79Å
118L98.3Very high94.8Very high8 Ų857.8 Ų57.84%0.04230%0.296CS..Hα-helixtrans-59.4-47.4178.8179.461.9000112.1I74 F99 P100 Y101 V114 K116 S120 M121 L122I74-L118 HydrophobicContact CD1-CD1 4.11Å; I74-L118 HydrophobicContact CD1-CD2 4.21Å; I74-L118 HydrophobicContact CG1-CD1 4.18Å; I74-L118 HydrophobicContact CG2-CD1 3.62Å; F99-L118 HydrophobicContact CE1-CD2 3.95Å; F99-L118 HydrophobicContact CE1-CG 4.5Å; F99-L118 HydrophobicContact CE2-CD2 4.34Å; F99-L118 HydrophobicContact CZ-CD2 3.73Å; F99-L118 HydrophobicContact CZ-CG 3.98Å; P100-L118 HydrophobicContact CG-CD2 3.78Å; P100-L118 WeakPolarHBondContact O-CD2 3.34Å; Y101-L118 HydrophobicContact CD2-CD2 4.29Å; V114-L118 PolarHBondContact O-N 3.13Å; K116-L118 VanDerWaalsContact C-N 3.34Å; L118-S120 PolarHBondContact O-N 2.82Å; L118-M121 PolarHBondContact O-N 2.58Å; L118-M121 VanDerWaalsContact O-N 3.13Å; L118-L122 HydrophobicContact CD1-CG 4.41Å; L118-L122 HydrophobicContact CG-CD1 4.27Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 2.89Å
119A98.2Very high95.5Very high1 Ų150.7 Ų50.71%0.00827%0.27CS..Hα-helixtrans-56-38.9175.600000112.3C115 K116 L117 A123 F143 F144C115-A119 PolarHBondContact O-N 3.48Å; C115-A119 VanDerWaalsContact O-N 3.1Å; K116-A119 PolarHBondContact O-N 2.86Å; L117-A119 PolarHBondContact O-N 2.86Å; A119-A123 PolarHBondContact O-N 3.48Å; A119-A123 VanDerWaalsContact O-N 3.13Å; A119-F143 HydrophobicContact CB-CB 4.05Å; A119-F144 HydrophobicContact CB-CD1 3.72Å; A119-F144 HydrophobicContact CB-CD2 4.45Å; A119-F144 HydrophobicContact CB-CE1 3.72Å; A119-F144 HydrophobicContact CB-CE2 4.46Å; A119-F144 HydrophobicContact CB-CG 4.12Å; A119-F144 HydrophobicContact CB-CZ 4.12Å
120S98.4Very high96.3Very high54 Ų5447.6 Ų47.638%0.37826%0.257SS..Hα-helixtrans-70.3-38.3177.7-52.30000112.4K116 L117 L118 A123 K124K116-S120 PolarHBondContact O-N 3.34Å; K116-S120 PolarHBondContact O-OG 3.45Å; L117-S120 WeakPolarHBondContact O-CB 3.37Å; L117-S120 PolarHBondContact O-N 3.09Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L118-S120 PolarHBondContact O-N 2.82Å; S120-A123 PolarHBondContact O-N 2.83Å; S120-K124 WeakPolarHBondContact O-CB 3.34Å; S120-K124 PolarHBondContact O-N 3.49Å
121M98.5Very high97Very high75 Ų7540 Ų4037%0.36923%0.228SC..Hα-helixtrans-64.4-42.4175.2-68.9171.669.600111.5L78 L117 L118 K124 A125L78-M121 HydrophobicContact CD1-CB 4.48Å; L78-M121 HydrophobicContact CD1-CE 3.68Å; L78-M121 HydrophobicContact CD2-CB 4.1Å; L117-M121 HydrophobicContact CD1-CG 4.25Å; L117-M121 HydrophobicContact CD1-SD 4.16Å; L117-M121 HydrophobicContact CG-SD 3.98Å; L117-M121 WeakPolarHBondContact O-CG 3.47Å; L117-M121 PolarHBondContact O-N 2.79Å; L118-M121 PolarHBondContact O-N 2.58Å; L118-M121 VanDerWaalsContact O-N 3.13Å; M121-K124 PolarHBondContact O-N 3.22Å; M121-A125 WeakPolarHBondContact O-CB 3.34Å; M121-A125 PolarHBondContact O-N 2.78Å
122L98.4Very high97.7Very high2 Ų238 Ų381%0.0121%0.207CC..Hα-helixtrans-61.2-44.2176.1-71171.4000112L77 L78 I96 F99 L118 K124 A125 G126 L127 F144L77-L122 HydrophobicContact CD2-CD2 3.61Å; L77-L122 HydrophobicContact CG-CD2 4.05Å; L78-L122 HydrophobicContact CD2-CD2 3.85Å; L78-L122 HydrophobicContact CD2-CG 4.37Å; I96-L122 HydrophobicContact CD1-CD1 4.21Å; F99-L122 HydrophobicContact CE2-CD1 3.61Å; F99-L122 HydrophobicContact CZ-CD1 3.9Å; L118-L122 HydrophobicContact CD1-CG 4.41Å; L118-L122 HydrophobicContact CG-CD1 4.27Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 2.89Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 2.91Å; L122-G126 PolarHBondContact O-N 3.02Å; L122-L127 HydrophobicContact CB-CD2 4.24Å; L122-L127 HydrophobicContact CD2-CD1 4.47Å; L122-L127 HydrophobicContact CD2-CD2 4.08Å; L122-L127 PolarHBondContact O-N 3.47Å; L122-L127 VanDerWaalsContact O-N 3.12Å; L122-F144 HydrophobicContact CD1-CE1 4.25Å
123A97.9Very high97.9Very high26 Ų2634.2 Ų34.222%0.21518%0.181CC..Hα-helixtrans-59.6-44173.900000111.3A119 S120 G126 F146A119-A123 PolarHBondContact O-N 3.48Å; A119-A123 VanDerWaalsContact O-N 3.13Å; S120-A123 PolarHBondContact O-N 2.83Å; A123-G126 PolarHBondContact O-N 3.3Å; A123-F146 HydrophobicContact CB-CD1 3.88Å; A123-F146 HydrophobicContact CB-CE1 3.65Å
124K98.3Very high98Very high168 Ų16831.8 Ų31.873%0.7317%0.169SC*.Hα-helixtrans-67.5-39.4-179.1-17161.7-179.4-178.30112.4K85 S120 M121 L122 G126K85-K124 PolarHBondContact NZ-O 3.44Å; S120-K124 WeakPolarHBondContact O-CB 3.34Å; S120-K124 PolarHBondContact O-N 3.49Å; M121-K124 PolarHBondContact O-N 3.22Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.32Å; K124-G126 PolarHBondContact O-N 3.06Å
125A98.2Very high98Very high10 Ų1030.8 Ų30.88%0.08316%0.162CC..Hα-helixtrans-61.5-33.5176.600000112.1L78 A81 Y82 K85 M121 L122L78-A125 HydrophobicContact CB-CB 4.44Å; L78-A125 HydrophobicContact CD2-CB 3.62Å; A81-A125 HydrophobicContact CB-CB 4.21Å; Y82-A125 WeakPolarHBondContact CA-O 3.4Å; K85-A125 WeakPolarHBondContact CD-O 3.43Å; M121-A125 WeakPolarHBondContact O-CB 3.34Å; M121-A125 PolarHBondContact O-N 2.78Å; L122-A125 PolarHBondContact O-N 2.91Å
126G97.3Very high97.8Very high8 Ų833 Ų338%0.08217%0.173CC..THydrogen-bonded Turntrans133.97.8172.900000116.2L122 A123 K124 T128L122-G126 PolarHBondContact O-N 3.02Å; A123-G126 PolarHBondContact O-N 3.3Å; K124-G126 PolarHBondContact O-N 3.06Å; G126-T128 PolarHBondContact O-N 2.81Å
127L98.4Very high97.6Very high8 Ų830.9 Ų30.94%0.04216%0.164CC..  trans-63.8135.9175.4-88.566.2000110.1A81 I92 L122 F146A81-L127 HydrophobicContact CB-CD1 3.34Å; I92-L127 HydrophobicContact CG2-CD1 4.34Å; L122-L127 HydrophobicContact CB-CD2 4.24Å; L122-L127 HydrophobicContact CD2-CD1 4.47Å; L122-L127 HydrophobicContact CD2-CD2 4.08Å; L122-L127 PolarHBondContact O-N 3.47Å; L122-L127 VanDerWaalsContact O-N 3.12Å; L127-F146 HydrophobicContact CB-CE1 4.16Å; L127-F146 HydrophobicContact CB-CE2 4.41Å; L127-F146 HydrophobicContact CB-CZ 3.85Å
128T98.1Very high97.3Very high52 Ų5229.2 Ų29.232%0.31915%0.153SC..SBendtrans-106.7-20.4179.557.80000112.4I92 G126 F146I92-T128 PolarHBondContact N-OG1 2.8Å; I92-T128 PolarHBondContact O-N 2.89Å; I92-T128 PolarHBondContact O-OG1 3.44Å; G126-T128 PolarHBondContact O-N 2.81Å; T128-F146 WeakPolarHBondContact O-CB 3.35Å
129H98.4Very high97.1Very high30 Ų3034.2 Ų34.214%0.13918%0.176CC..EExtended strand (participates in β ladder)trans-157.5150.3179.7-160.2160.4000107.6I92 I93 G94 P147 D149I92-H129 PolarHBondContact O-N 3.12Å; I93-H129 CarbonylContact C-O 3.51Å; I93-H129 WeakPolarHBondContact CA-O 3.32Å; I93-H129 HydrophobicContact CB-CB 4.39Å; I93-H129 HydrophobicContact CG1-CB 3.92Å; I93-H129 HydrophobicContact CG2-CB 4.1Å; G94-H129 PolarHBondContact N-O 2.97Å; H129-P147 VanDerWaalsContact CD2-C 3.45Å; H129-P147 PolarHBondContact CD2-O 2.92Å; H129-D149 IonicContact CE1-OD2 3.74Å; H129-D149 PolarHBondContact CE1-OD2 3.45Å; H129-D149 IonicContact NE2-OD2 3.92Å; H129-D149 PolarHBondContact NE2-OD2 2.73Å
130I98.2Very high97.1Very high0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-124.7135.6166.7-173.6179.3000111.4G94 I96 F99 F144 F146 P147 V148 D149G94-I130 CarbonylContact O-C 3.58Å; G94-I130 WeakPolarHBondContact O-CA 3.37Å; G94-I130 WeakPolarHBondContact O-CG1 3.49Å; I96-I130 HydrophobicContact CB-CD1 4.24Å; I96-I130 HydrophobicContact CB-CG1 4.48Å; I96-I130 HydrophobicContact CD1-CD1 3.67Å; I96-I130 HydrophobicContact CD1-CG1 4.16Å; I96-I130 HydrophobicContact CG1-CD1 4.15Å; I96-I130 HydrophobicContact CG1-CG1 4.24Å; F99-I130 HydrophobicContact CD2-CD1 3.67Å; F99-I130 HydrophobicContact CE2-CD1 3.67Å; I130-F144 HydrophobicContact CD1-CE1 3.93Å; I130-F144 HydrophobicContact CD1-CZ 3.88Å; I130-F144 HydrophobicContact CG2-CD1 4.25Å; I130-F144 HydrophobicContact CG2-CE1 4.14Å; I130-F144 HydrophobicContact CG2-CZ 4.31Å; I130-F146 HydrophobicContact CB-CE2 3.9Å; I130-F146 HydrophobicContact CG2-CE2 3.73Å; I130-P147 PolarHBondContact N-O 3.29Å; I130-V148 HydrophobicContact CG2-CB 3.94Å; I130-V148 HydrophobicContact CG2-CG1 3.79Å; I130-V148 HydrophobicContact CG2-CG2 3.61Å; I130-V148 WeakPolarHBondContact O-CA 3.43Å; I130-D149 PolarHBondContact O-N 3.27Å
131I98.4Very high97Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-104.1126.1163.6-50.4176.3000106.8F61 I93 G94 V95 I96 D149 L151 L350 A353 I354 I357F61-I131 HydrophobicContact CE1-CD1 4.44Å; I93-I131 HydrophobicContact CG2-CD1 4.15Å; I93-I131 HydrophobicContact CG2-CG1 3.94Å; G94-I131 PolarHBondContact O-N 2.99Å; V95-I131 CarbonylContact C-O 3.52Å; V95-I131 WeakPolarHBondContact CA-O 3.38Å; V95-I131 HydrophobicContact CG1-CB 4.47Å; V95-I131 HydrophobicContact CG2-CB 4.41Å; V95-I131 HydrophobicContact CG2-CD1 3.99Å; V95-I131 HydrophobicContact CG2-CG1 4.47Å; I96-I131 PolarHBondContact N-O 3.13Å; I131-D149 WeakPolarHBondContact CA-O 3.49Å; I131-L151 HydrophobicContact CG2-CD1 3.48Å; I131-L151 VanDerWaalsContact CG2-CD1 3.48Å; I131-L151 HydrophobicContact CG2-CG 4.01Å; I131-L350 HydrophobicContact CG2-CD2 4.33Å; I131-A353 HydrophobicContact CD1-CB 4.14Å; I131-A353 HydrophobicContact CG2-CB 4.1Å; I131-I354 HydrophobicContact CD1-CG1 3.94Å; I131-I357 HydrophobicContact CD1-CD1 3.39Å; I131-I357 HydrophobicContact CG1-CD1 3.54Å
132T98.3Very high96.9Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-139.7173.6177.4-167.40000109.5I96 L135 V148 D149 N150 L151I96-T132 VanDerWaalsContact O-CA 3.31Å; I96-T132 WeakPolarHBondContact O-CA 3.45Å; I96-T132 VanDerWaalsContact O-CB 3.25Å; I96-T132 WeakPolarHBondContact O-CB 3.26Å; I96-T132 PolarHBondContact O-OG1 3.38Å; T132-L135 HydrophobicContact CG2-CD1 3.92Å; T132-L135 HydrophobicContact CG2-CD2 3.82Å; T132-L135 HydrophobicContact CG2-CG 3.64Å; T132-V148 HydrophobicContact CG2-CG1 4.33Å; T132-D149 PolarHBondContact N-O 3.01Å; T132-D149 VanDerWaalsContact O-O 3.11Å; T132-N150 HydrophobicContact CG2-CB 4.28Å; T132-L151 WeakPolarHBondContact O-CB 3.37Å; T132-L151 WeakPolarHBondContact O-CG 3.25Å; T132-L151 PolarHBondContact O-N 3.28Å
133M97.4Very high96.9Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-132.2136.5178.2-164.5166.860.400110.4P97 L135 L151 A153 T303 H304 T326 T328 V346 I349P97-M133 PolarHBondContact O-N 3.22Å; P97-M133 VanDerWaalsContact O-N 3.14Å; M133-L135 PolarHBondContact O-N 3.33Å; M133-L151 WeakPolarHBondContact CA-O 3.19Å; M133-L151 HydrophobicContact CB-CB 4.32Å; M133-L151 HydrophobicContact CG-CB 4.08Å; M133-L151 WeakPolarHBondContact CG-O 3.49Å; M133-A153 HydrophobicContact CE-CB 3.96Å; M133-A153 HydrophobicContact CG-CB 4.44Å; M133-A153 HydrophobicContact SD-CB 3.85Å; M133-T303 HydrophobicContact CE-CG2 3.67Å; M133-T303 HydrophobicContact CG-CG2 4.35Å; M133-H304 PolarHBondContact O-CE1 2.95Å; M133-H304 PolarHBondContact O-NE2 3.48Å; M133-H304 VanDerWaalsContact O-NE2 3.07Å; M133-T326 HydrophobicContact CE-CG2 4.5Å; M133-T328 HydrophobicContact CE-CG2 2.97Å; M133-V346 HydrophobicContact CE-CB 3.89Å; M133-V346 HydrophobicContact CE-CG1 3.87Å; M133-V346 HydrophobicContact CE-CG2 3.58Å; M133-V346 HydrophobicContact SD-CB 4.2Å; M133-V346 HydrophobicContact SD-CG1 4.22Å; M133-V346 HydrophobicContact SD-CG2 4.44Å; M133-I349 HydrophobicContact SD-CG2 4.27Å
134D96.1Very high96.9Very high9 Ų936 Ų365%0.04819%0.189CC..SBendtrans40.460177.6-71.3-44.7000115.1H136 N150 L151 R152 A153 T303 H304D134-H136 PolarHBondContact O-N 3.31Å; D134-N150 PolarHBondContact N-OD1 3.46Å; D134-L151 PolarHBondContact N-O 3.38Å; D134-R152 WeakPolarHBondContact OD1-CD 3.27Å; D134-R152 IonicContact OD1-CZ 2.71Å; D134-R152 IonicContact OD1-NE 3.49Å; D134-R152 IonicContact OD1-NH1 3.17Å; D134-R152 PolarHBondContact OD1-NH1 3.06Å; D134-A153 VanDerWaalsContact OD2-CB 3.31Å; D134-A153 WeakPolarHBondContact OD2-CB 3.31Å; D134-A153 PolarHBondContact OD2-N 3.41Å; D134-T303 HydrophobicContact CB-CG2 3.89Å; D134-T303 WeakPolarHBondContact OD2-CG2 3.32Å; D134-T303 PolarHBondContact OD2-OG1 2.72Å; D134-H304 PolarHBondContact O-NE2 3.18Å
135L96.9Very high96.9Very high8 Ų833 Ų334%0.04219%0.189CC..  trans-47.2133.5170.3-73.6172.2000111.8F99 T132 M133 Q137 I140 Q141 V148 N150F99-L135 HydrophobicContact CB-CD2 3.64Å; F99-L135 HydrophobicContact CD1-CD2 4.35Å; F99-L135 HydrophobicContact CG-CD2 4.11Å; T132-L135 HydrophobicContact CG2-CD1 3.92Å; T132-L135 HydrophobicContact CG2-CD2 3.82Å; T132-L135 HydrophobicContact CG2-CG 3.64Å; M133-L135 PolarHBondContact O-N 3.33Å; L135-Q137 PolarHBondContact O-N 3.38Å; L135-I140 HydrophobicContact CD1-CB 4.17Å; L135-I140 HydrophobicContact CD1-CG2 4.2Å; L135-I140 HydrophobicContact CD2-CG2 4.08Å; L135-Q141 HydrophobicContact CD1-CG 3.66Å; L135-V148 HydrophobicContact CD1-CG1 4.45Å; L135-N150 HydrophobicContact CD1-CB 4.08Å; L135-N150 HydrophobicContact CG-CB 4.49Å; L135-N150 WeakPolarHBondContact CG-OD1 3.42Å; L135-N150 PolarHBondContact N-OD1 2.86Å
136H94.9Very high96.8Very high47 Ų4733.8 Ų33.822%0.21819%0.191CC..SBendtrans-48.4-37.5-177.6-177.760.2000113.7D134 I140 D275 I276D134-H136 PolarHBondContact O-N 3.31Å; H136-I140 HydrophobicContact CB-CD1 4.33Å; H136-D275 WeakPolarHBondContact CA-OD2 3.4Å; H136-D275 IonicContact CE1-OD1 2.62Å; H136-D275 IonicContact CE1-OD2 2.82Å; H136-D275 IonicContact CG-OD2 3.03Å; H136-D275 IonicContact ND1-OD1 2.62Å; H136-D275 PolarHBondContact ND1-OD1 2.93Å; H136-D275 IonicContact ND1-OD2 3.65Å; H136-D275 PolarHBondContact ND1-OD2 3.04Å; H136-I276 HydrophobicContact CB-CD1 4.26Å
137Q92.8Very high96.8Very high44 Ų4437.3 Ų37.321%0.20621%0.212CC..SBendtrans-133.5130.6168.2-61.2-70.8-82.400107.8C105 L135 E139 I140C105-Q137 VanDerWaalsContact SG-CG 3.55Å; L135-Q137 PolarHBondContact O-N 3.38Å; Q137-E139 WeakPolarHBondContact CB-OE2 3.42Å; Q137-E139 PolarHBondContact O-N 3.45Å; Q137-E139 VanDerWaalsContact O-N 3.15Å; Q137-I140 HydrophobicContact CB-CD1 4.18Å; Q137-I140 HydrophobicContact CB-CG1 4.21Å; Q137-I140 VanDerWaalsContact O-CB 3.26Å; Q137-I140 WeakPolarHBondContact O-CB 3.41Å; Q137-I140 WeakPolarHBondContact O-CD1 3.41Å; Q137-I140 VanDerWaalsContact O-CG1 3.23Å; Q137-I140 WeakPolarHBondContact O-CG1 3.41Å; Q137-I140 PolarHBondContact O-N 3.15Å
138K92.1Very high96.8Very high64 Ų6438 Ų3828%0.27822%0.217SC..G310 helixtrans-61.4-25.4-177.961.9-178.7172-174.30113.1I140 Q141 V372 D373K138-I140 PolarHBondContact O-N 3.45Å; K138-Q141 WeakPolarHBondContact O-CB 3.47Å; K138-Q141 VanDerWaalsContact O-CG 3.31Å; K138-Q141 WeakPolarHBondContact O-CG 3.2Å; K138-Q141 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-NE2 2.81Å; K138-Q141 VanDerWaalsContact O-NE2 3.09Å; K138-V372 PolarHBondContact NZ-O 3.28Å; K138-D373 IonicContact NZ-OD1 3.1Å
139E94.7Very high96.7Very high112 Ų11236.8 Ų36.852%0.52321%0.208SC..G310 helixtrans-65.6-18.9177.9-61.374.8-164.200112.7Q137 Q141 G142Q137-E139 WeakPolarHBondContact CB-OE2 3.42Å; Q137-E139 PolarHBondContact O-N 3.45Å; Q137-E139 VanDerWaalsContact O-N 3.15Å; E139-Q141 PolarHBondContact O-N 3.34Å; E139-Q141 VanDerWaalsContact O-N 3.13Å; E139-G142 PolarHBondContact O-N 3.23Å
140I96.9Very high96.6Very high1 Ų135.7 Ų35.71%0.00520%0.203CC..G310 helixtrans-57.5-26.5174.3-66.2168.2000111.1C105 L135 H136 Q137 K138 G142 F143 F144C105-I140 HydrophobicContact CB-CD1 3.69Å; C105-I140 HydrophobicContact CB-CG1 3.67Å; L135-I140 HydrophobicContact CD1-CB 4.17Å; L135-I140 HydrophobicContact CD1-CG2 4.2Å; L135-I140 HydrophobicContact CD2-CG2 4.08Å; H136-I140 HydrophobicContact CB-CD1 4.33Å; Q137-I140 HydrophobicContact CB-CD1 4.18Å; Q137-I140 HydrophobicContact CB-CG1 4.21Å; Q137-I140 VanDerWaalsContact O-CB 3.26Å; Q137-I140 WeakPolarHBondContact O-CB 3.41Å; Q137-I140 WeakPolarHBondContact O-CD1 3.41Å; Q137-I140 VanDerWaalsContact O-CG1 3.23Å; Q137-I140 WeakPolarHBondContact O-CG1 3.41Å; Q137-I140 PolarHBondContact O-N 3.15Å; K138-I140 PolarHBondContact O-N 3.45Å; I140-G142 PolarHBondContact O-N 3.03Å; I140-F143 HydrophobicContact CB-CD2 4.36Å; I140-F143 HydrophobicContact CG1-CD2 4.38Å; I140-F143 HydrophobicContact CG1-CE2 4.11Å; I140-F143 HydrophobicContact CG2-CD2 4.04Å; I140-F143 VanDerWaalsContact O-CB 3.24Å; I140-F143 WeakPolarHBondContact O-CB 3.23Å; I140-F143 PolarHBondContact O-N 3.23Å; I140-F144 HydrophobicContact CG2-CE2 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.3Å
141Q96.4Very high96.5Very high74 Ų7435.7 Ų35.735%0.34620%0.203SC..G310 helixtrans-54.4-35.4173.4-66.7177.174.500112.2L135 K138 E139 F143 F144 V148 N150L135-Q141 HydrophobicContact CD1-CG 3.66Å; K138-Q141 WeakPolarHBondContact O-CB 3.47Å; K138-Q141 VanDerWaalsContact O-CG 3.31Å; K138-Q141 WeakPolarHBondContact O-CG 3.2Å; K138-Q141 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-NE2 2.81Å; K138-Q141 VanDerWaalsContact O-NE2 3.09Å; E139-Q141 PolarHBondContact O-N 3.34Å; E139-Q141 VanDerWaalsContact O-N 3.13Å; Q141-F143 PolarHBondContact O-N 3.14Å; Q141-F144 PolarHBondContact O-N 3.38Å; Q141-V148 HydrophobicContact CB-CB 4.45Å; Q141-V148 HydrophobicContact CB-CG1 4.45Å; Q141-V148 HydrophobicContact CG-CB 4.31Å; Q141-V148 HydrophobicContact CG-CG1 3.86Å; Q141-N150 HydrophobicContact CG-CB 4.16Å
142G97.4Very high96.3Very high62 Ų6236.6 Ų36.664%0.63921%0.207SC*.G310 helixtrans-73.7-4.1176.700000114.8E139 I140E139-G142 PolarHBondContact O-N 3.23Å; I140-G142 PolarHBondContact O-N 3.03Å
143F97.8Very high96.2Very high42 Ų4236.6 Ų36.618%0.18421%0.207CC..G310 helixtrans-78.9-27.4175.4-67.4-6.5000112.7C105 I113 C115 K116 A119 I140 Q141C105-F143 HydrophobicContact CB-CE2 3.99Å; C105-F143 HydrophobicContact CB-CZ 4.45Å; I113-F143 HydrophobicContact CG2-CE2 3.83Å; I113-F143 HydrophobicContact CG2-CZ 3.96Å; C115-F143 HydrophobicContact CB-CD2 4.21Å; C115-F143 HydrophobicContact CB-CE2 4.05Å; K116-F143 HydrophobicContact CB-CB 4.5Å; K116-F143 HydrophobicContact CB-CD2 3.99Å; K116-F143 HydrophobicContact CB-CE2 4.33Å; K116-F143 HydrophobicContact CB-CG 4.12Å; K116-F143 HydrophobicContact CD-CB 3.69Å; K116-F143 HydrophobicContact CD-CD1 4.28Å; K116-F143 HydrophobicContact CD-CG 3.98Å; K116-F143 WeakPolarHBondContact CD-O 3.24Å; K116-F143 WeakPolarHBondContact CE-O 3.43Å; K116-F143 PolarHBondContact NZ-O 2.99Å; A119-F143 HydrophobicContact CB-CB 4.05Å; I140-F143 HydrophobicContact CB-CD2 4.36Å; I140-F143 HydrophobicContact CG1-CD2 4.38Å; I140-F143 HydrophobicContact CG1-CE2 4.11Å; I140-F143 HydrophobicContact CG2-CD2 4.04Å; I140-F143 VanDerWaalsContact O-CB 3.24Å; I140-F143 WeakPolarHBondContact O-CB 3.23Å; I140-F143 PolarHBondContact O-N 3.23Å; Q141-F143 PolarHBondContact O-N 3.14Å
144F98.1Very high96Very high17 Ų1736.7 Ų36.78%0.07521%0.207CC..  trans-81.3143.3-179.4-60.1-90.9000110.8F99 A119 L122 I130 I140 Q141 F146 V148F99-F144 HydrophobicContact CD2-CZ 4.18Å; F99-F144 AromaticContact CE1-CZ 3.96Å; F99-F144 HydrophobicContact CE1-CZ 3.96Å; F99-F144 AromaticContact CE2-CE1 3.9Å; F99-F144 HydrophobicContact CE2-CE1 3.9Å; F99-F144 AromaticContact CE2-CZ 3.53Å; F99-F144 HydrophobicContact CE2-CZ 3.53Å; F99-F144 AromaticContact CZ-CE1 3.84Å; F99-F144 HydrophobicContact CZ-CE1 3.84Å; F99-F144 HydrophobicContact CZ-CE2 4.48Å; F99-F144 AromaticContact CZ-CZ 3.4Å; F99-F144 HydrophobicContact CZ-CZ 3.4Å; A119-F144 HydrophobicContact CB-CD1 3.72Å; A119-F144 HydrophobicContact CB-CD2 4.45Å; A119-F144 HydrophobicContact CB-CE1 3.72Å; A119-F144 HydrophobicContact CB-CE2 4.46Å; A119-F144 HydrophobicContact CB-CG 4.12Å; A119-F144 HydrophobicContact CB-CZ 4.12Å; L122-F144 HydrophobicContact CD1-CE1 4.25Å; I130-F144 HydrophobicContact CD1-CE1 3.93Å; I130-F144 HydrophobicContact CD1-CZ 3.88Å; I130-F144 HydrophobicContact CG2-CD1 4.25Å; I130-F144 HydrophobicContact CG2-CE1 4.14Å; I130-F144 HydrophobicContact CG2-CZ 4.31Å; I140-F144 HydrophobicContact CG2-CE2 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.3Å; Q141-F144 PolarHBondContact O-N 3.38Å; F144-F146 HydrophobicContact CB-CD2 4.42Å; F144-F146 HydrophobicContact CB-CE2 4.35Å; F144-F146 HydrophobicContact CB-CZ 4.48Å; F144-F146 HydrophobicContact CD1-CE1 4.11Å; F144-F146 AromaticContact CD1-CE2 3.78Å; F144-F146 HydrophobicContact CD1-CE2 3.78Å; F144-F146 AromaticContact CD1-CZ 3.48Å; F144-F146 HydrophobicContact CD1-CZ 3.48Å; F144-F146 VanDerWaalsContact CD1-CZ 3.48Å; F144-F146 HydrophobicContact CE1-CZ 4.16Å; F144-F146 HydrophobicContact CG-CE2 4.38Å; F144-F146 HydrophobicContact CG-CZ 4.39Å; F144-V148 HydrophobicContact CB-CG2 3.63Å; F144-V148 HydrophobicContact CD2-CG2 3.43Å; F144-V148 VanDerWaalsContact CD2-CG2 3.43Å; F144-V148 HydrophobicContact CE2-CG2 4.16Å; F144-V148 HydrophobicContact CG-CG2 3.61Å
145S97.4Very high95.9Very high106 Ų10638.7 Ų38.774%0.74122%0.22SC*.SBendtrans-89.68.5174.362.70000112.8
146F97.3Very high95.8Very high26 Ų2640.6 Ų40.611%0.11423%0.229CC..SBendtrans-141.3163.8-174.857.3-106.2000109.4A123 L127 T128 I130 F144A123-F146 HydrophobicContact CB-CD1 3.88Å; A123-F146 HydrophobicContact CB-CE1 3.65Å; L127-F146 HydrophobicContact CB-CE1 4.16Å; L127-F146 HydrophobicContact CB-CE2 4.41Å; L127-F146 HydrophobicContact CB-CZ 3.85Å; T128-F146 WeakPolarHBondContact O-CB 3.35Å; I130-F146 HydrophobicContact CB-CE2 3.9Å; I130-F146 HydrophobicContact CG2-CE2 3.73Å; F144-F146 HydrophobicContact CB-CD2 4.42Å; F144-F146 HydrophobicContact CB-CE2 4.35Å; F144-F146 HydrophobicContact CB-CZ 4.48Å; F144-F146 HydrophobicContact CD1-CE1 4.11Å; F144-F146 AromaticContact CD1-CE2 3.78Å; F144-F146 HydrophobicContact CD1-CE2 3.78Å; F144-F146 AromaticContact CD1-CZ 3.48Å; F144-F146 HydrophobicContact CD1-CZ 3.48Å; F144-F146 VanDerWaalsContact CD1-CZ 3.48Å; F144-F146 HydrophobicContact CE1-CZ 4.16Å; F144-F146 HydrophobicContact CG-CE2 4.38Å; F144-F146 HydrophobicContact CG-CZ 4.39Å
147P97.5Very high95.9Very high82 Ų8238.4 Ų38.453%0.53222%0.218SC..  trans-56.6146.9-176.4-26.936.4000113.7H129 I130H129-P147 VanDerWaalsContact CD2-C 3.45Å; H129-P147 PolarHBondContact CD2-O 2.92Å; I130-P147 PolarHBondContact N-O 3.29Å
148V97.4Very high96Very high23 Ų2337 Ų3714%0.13921%0.212CC..EExtended strand (participates in β ladder)trans-133.2122.9-179.51790000108.5I130 T132 L135 Q141 F144I130-V148 HydrophobicContact CG2-CB 3.94Å; I130-V148 HydrophobicContact CG2-CG1 3.79Å; I130-V148 HydrophobicContact CG2-CG2 3.61Å; I130-V148 WeakPolarHBondContact O-CA 3.43Å; T132-V148 HydrophobicContact CG2-CG1 4.33Å; L135-V148 HydrophobicContact CD1-CG1 4.45Å; Q141-V148 HydrophobicContact CB-CB 4.45Å; Q141-V148 HydrophobicContact CB-CG1 4.45Å; Q141-V148 HydrophobicContact CG-CB 4.31Å; Q141-V148 HydrophobicContact CG-CG1 3.86Å; F144-V148 HydrophobicContact CB-CG2 3.63Å; F144-V148 HydrophobicContact CD2-CG2 3.43Å; F144-V148 VanDerWaalsContact CD2-CG2 3.43Å; F144-V148 HydrophobicContact CE2-CG2 4.16Å; F144-V148 HydrophobicContact CG-CG2 3.61Å
149D96.8Very high96.2Very high25 Ų2538.1 Ų38.113%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-9999.8167-77.9-54.2000108.8H129 I130 I131 T132 L151 I357 M363H129-D149 IonicContact CE1-OD2 3.74Å; H129-D149 PolarHBondContact CE1-OD2 3.45Å; H129-D149 IonicContact NE2-OD2 3.92Å; H129-D149 PolarHBondContact NE2-OD2 2.73Å; I130-D149 PolarHBondContact O-N 3.27Å; I131-D149 WeakPolarHBondContact CA-O 3.49Å; T132-D149 PolarHBondContact N-O 3.01Å; T132-D149 VanDerWaalsContact O-O 3.11Å; D149-L151 PolarHBondContact O-N 2.61Å; D149-I357 WeakPolarHBondContact OD2-CD1 3.35Å; D149-M363 HydrophobicContact CB-CE 4.17Å
150N96.4Very high96.3Very high7 Ų734.4 Ų34.44%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-91.191.7174.1179.741.5000110.2T132 D134 L135 Q141 F367T132-N150 HydrophobicContact CG2-CB 4.28Å; D134-N150 PolarHBondContact N-OD1 3.46Å; L135-N150 HydrophobicContact CD1-CB 4.08Å; L135-N150 HydrophobicContact CG-CB 4.49Å; L135-N150 WeakPolarHBondContact CG-OD1 3.42Å; L135-N150 PolarHBondContact N-OD1 2.86Å; Q141-N150 HydrophobicContact CG-CB 4.16Å; N150-F367 VanDerWaalsContact O-CE1 3.25Å; N150-F367 WeakPolarHBondContact O-CE1 3.45Å; N150-F367 WeakPolarHBondContact O-CZ 3.3Å
151L95.8Very high96.4Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-69.6167.9179.2-55.1175.1000111.6I131 T132 M133 D134 D149 I349 L350 A353 M363 L366 F367I131-L151 HydrophobicContact CG2-CD1 3.48Å; I131-L151 VanDerWaalsContact CG2-CD1 3.48Å; I131-L151 HydrophobicContact CG2-CG 4.01Å; T132-L151 WeakPolarHBondContact O-CB 3.37Å; T132-L151 WeakPolarHBondContact O-CG 3.25Å; T132-L151 PolarHBondContact O-N 3.28Å; M133-L151 WeakPolarHBondContact CA-O 3.19Å; M133-L151 HydrophobicContact CB-CB 4.32Å; M133-L151 HydrophobicContact CG-CB 4.08Å; M133-L151 WeakPolarHBondContact CG-O 3.49Å; D134-L151 PolarHBondContact N-O 3.38Å; D149-L151 PolarHBondContact O-N 2.61Å; L151-I349 HydrophobicContact CB-CD1 4.32Å; L151-I349 HydrophobicContact CD1-CG1 4.28Å; L151-L350 HydrophobicContact CD1-CD2 3.84Å; L151-A353 HydrophobicContact CD1-CB 3.81Å; L151-A353 HydrophobicContact CD2-CB 4.22Å; L151-M363 HydrophobicContact CD2-CE 3.72Å; L151-L366 HydrophobicContact CD2-CD1 4.09Å; L151-F367 HydrophobicContact CD2-CZ 4.09Å
152R93.9Very high96.4Very high20 Ų2035.4 Ų35.48%0.07521%0.205CC..  trans-122137.2177.7-58.3-58.7-173.9164.16112.5D134 I349 I370 D374D134-R152 WeakPolarHBondContact OD1-CD 3.27Å; D134-R152 IonicContact OD1-CZ 2.71Å; D134-R152 IonicContact OD1-NE 3.49Å; D134-R152 IonicContact OD1-NH1 3.17Å; D134-R152 PolarHBondContact OD1-NH1 3.06Å; R152-I349 WeakPolarHBondContact O-CD1 3.46Å; R152-I370 HydrophobicContact CB-CD1 3.57Å; R152-I370 HydrophobicContact CB-CG1 4.12Å; R152-I370 HydrophobicContact CG-CB 4.4Å; R152-I370 HydrophobicContact CG-CD1 3.54Å; R152-I370 HydrophobicContact CG-CG1 3.93Å; R152-I370 HydrophobicContact CG-CG2 3.63Å; R152-D374 VanDerWaalsContact CZ-O 3.22Å; R152-D374 VanDerWaalsContact CZ-OXT 3.31Å; R152-D374 PolarHBondContact NH1-O 3.17Å; R152-D374 PolarHBondContact NH2-O 3Å; R152-D374 PolarHBondContact NH2-OXT 2.96Å
153A95.2Very high96.3Very high0 Ų038.4 Ų38.40%020%0.202CC..SBendtrans-86.7-14.8168.100000113M133 D134 P155 F156 L157 T303 T326M133-A153 HydrophobicContact CE-CB 3.96Å; M133-A153 HydrophobicContact CG-CB 4.44Å; M133-A153 HydrophobicContact SD-CB 3.85Å; D134-A153 VanDerWaalsContact OD2-CB 3.31Å; D134-A153 WeakPolarHBondContact OD2-CB 3.31Å; D134-A153 PolarHBondContact OD2-N 3.41Å; A153-P155 VanDerWaalsContact C-N 3.3Å; A153-P155 VanDerWaalsContact O-N 3.14Å; A153-F156 PolarHBondContact O-N 3.4Å; A153-L157 HydrophobicContact CB-CD1 4.28Å; A153-L157 PolarHBondContact O-N 2.99Å; A153-L157 VanDerWaalsContact O-N 3.07Å; A153-T303 HydrophobicContact CB-CG2 3.54Å; A153-T326 HydrophobicContact CB-CG2 3.76Å
154S94.4Very high96.3Very high1 Ų142.2 Ų42.21%0.00722%0.22CC..Hα-helixtrans-51.6-37.3-175.366.10000114.8F156 L157 L158 Y187 R190 D374S154-F156 VanDerWaalsContact C-N 3.32Å; S154-F156 PolarHBondContact O-N 3.44Å; S154-L157 PolarHBondContact O-N 3.43Å; S154-L158 VanDerWaalsContact O-CB 3.23Å; S154-L158 WeakPolarHBondContact O-CB 3.45Å; S154-L158 WeakPolarHBondContact O-CD1 3.47Å; S154-L158 WeakPolarHBondContact O-CG 3.34Å; S154-L158 PolarHBondContact O-N 2.94Å; S154-Y187 WeakPolarHBondContact CA-OH 3.33Å; S154-R190 PolarHBondContact OG-NH1 3.13Å; S154-R190 VanDerWaalsContact OG-NH1 3.08Å; S154-D374 WeakPolarHBondContact CB-OD2 3.2Å; S154-D374 PolarHBondContact OG-OD2 3.26Å
155P93.2Very high96.3Very high51 Ų5141.6 Ų41.633%0.33122%0.218SC..Hα-helixtrans-61.8-38.8176.1-22.836.2000113.1A153 Q159 I370A153-P155 VanDerWaalsContact C-N 3.3Å; A153-P155 VanDerWaalsContact O-N 3.14Å; P155-Q159 WeakPolarHBondContact O-CB 3.39Å; P155-Q159 PolarHBondContact O-N 3.03Å; P155-I370 HydrophobicContact CG-CD1 4.12Å; P155-I370 HydrophobicContact CG-CG1 4.24Å
156F94.9Very high96.1Very high49 Ų4940.5 Ų40.522%0.21521%0.208CC..Hα-helixtrans-74.2-39.4-179.9-63.6-94.6000111.6A153 S154 Q159 Y160 V344 I349A153-F156 PolarHBondContact O-N 3.4Å; S154-F156 VanDerWaalsContact C-N 3.32Å; S154-F156 PolarHBondContact O-N 3.44Å; F156-Q159 PolarHBondContact O-N 3.06Å; F156-Y160 PolarHBondContact O-N 2.87Å; F156-V344 HydrophobicContact CB-CG1 3.73Å; F156-I349 HydrophobicContact CE2-CB 3.76Å; F156-I349 HydrophobicContact CE2-CD1 4Å; F156-I349 HydrophobicContact CE2-CG1 4.43Å; F156-I349 HydrophobicContact CE2-CG2 3.82Å; F156-I349 HydrophobicContact CZ-CB 3.86Å; F156-I349 HydrophobicContact CZ-CG2 4.13Å
157L96.8Very high96Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-69.8-37176.2-65176.5000111.8A153 S154 Y160 I161 Y187 V324 T326 V344A153-L157 HydrophobicContact CB-CD1 4.28Å; A153-L157 PolarHBondContact O-N 2.99Å; A153-L157 VanDerWaalsContact O-N 3.07Å; S154-L157 PolarHBondContact O-N 3.43Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 2.95Å; L157-I161 WeakPolarHBondContact O-CG1 3.35Å; L157-I161 PolarHBondContact O-N 3.08Å; L157-Y187 HydrophobicContact CB-CE1 4.1Å; L157-Y187 VanDerWaalsContact CD1-OH 3.32Å; L157-Y187 WeakPolarHBondContact CD1-OH 3.44Å; L157-V324 HydrophobicContact CD2-CG1 4.08Å; L157-T326 HydrophobicContact CD2-CG2 4.33Å; L157-V344 HydrophobicContact CD2-CB 4.47Å; L157-V344 HydrophobicContact CD2-CG2 4.17Å
158L96Very high96Very high15 Ų1543 Ų438%0.07922%0.216CC..Hα-helixtrans-64.7-42.4173.1-74.8164.5000111.9S154 Y160 I161 Q162 Y187 R190 L191S154-L158 VanDerWaalsContact O-CB 3.23Å; S154-L158 WeakPolarHBondContact O-CB 3.45Å; S154-L158 WeakPolarHBondContact O-CD1 3.47Å; S154-L158 WeakPolarHBondContact O-CG 3.34Å; S154-L158 PolarHBondContact O-N 2.94Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-I161 PolarHBondContact O-N 3.26Å; L158-Q162 WeakPolarHBondContact O-CG 3.5Å; L158-Q162 PolarHBondContact O-N 3.31Å; L158-Q162 VanDerWaalsContact O-N 3.11Å; L158-Y187 HydrophobicContact CD2-CD1 3.78Å; L158-Y187 HydrophobicContact CD2-CE1 4.3Å; L158-Y187 HydrophobicContact CD2-CG 4.24Å; L158-Y187 HydrophobicContact CG-CD1 4.18Å; L158-Y187 HydrophobicContact CG-CE1 4.22Å; L158-R190 HydrophobicContact CD1-CB 4.19Å; L158-R190 VanDerWaalsContact CD1-CD 3.44Å; L158-R190 HydrophobicContact CD1-CG 4.48Å; L158-R190 HydrophobicContact CD2-CB 4.35Å; L158-L191 HydrophobicContact CD2-CD1 3.76Å; L158-L191 HydrophobicContact CD2-CD2 3.74Å; L158-L191 HydrophobicContact CD2-CG 3.51Å
159Q95.3Very high96Very high88 Ų8849.1 Ų49.141%0.41124%0.236SC..Hα-helixtrans-59.7-45.5174-177.5178.5-2.100110.6P155 F156 I161 Q162 E163P155-Q159 WeakPolarHBondContact O-CB 3.39Å; P155-Q159 PolarHBondContact O-N 3.03Å; F156-Q159 PolarHBondContact O-N 3.06Å; Q159-I161 PolarHBondContact O-N 3.17Å; Q159-Q162 PolarHBondContact O-N 3.11Å; Q159-Q162 VanDerWaalsContact O-N 3.08Å; Q159-E163 VanDerWaalsContact CG-CD 3.44Å; Q159-E163 HydrophobicContact CG-CG 4.22Å; Q159-E163 VanDerWaalsContact CG-OE1 3.29Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.31Å; Q159-E163 PolarHBondContact NE2-OE1 3.45Å; Q159-E163 PolarHBondContact NE2-OE2 3.03Å; Q159-E163 WeakPolarHBondContact O-CB 3.16Å; Q159-E163 WeakPolarHBondContact O-CG 3.28Å; Q159-E163 PolarHBondContact O-N 3.35Å
160Y97.8Very high96Very high34 Ų3451.3 Ų51.313%0.13325%0.248CC..Hα-helixtrans-56.9-46175.6-172.2-82.2000112.3F156 L157 L158 Q162 E163 E164 M301 E322 V324 K342 V344F156-Y160 PolarHBondContact O-N 2.87Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 2.95Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; Y160-Q162 VanDerWaalsContact C-N 3.25Å; Y160-Q162 PolarHBondContact O-N 3.39Å; Y160-E163 PolarHBondContact O-N 2.98Å; Y160-E164 HydrophobicContact CD1-CB 4.15Å; Y160-E164 HydrophobicContact CD2-CB 4.35Å; Y160-E164 HydrophobicContact CD2-CG 3.91Å; Y160-E164 HydrophobicContact CE1-CB 3.84Å; Y160-E164 HydrophobicContact CE1-CG 4.42Å; Y160-E164 HydrophobicContact CE2-CB 4.09Å; Y160-E164 HydrophobicContact CE2-CG 3.77Å; Y160-E164 HydrophobicContact CG-CB 4.39Å; Y160-E164 HydrophobicContact CG-CG 4.33Å; Y160-E164 WeakPolarHBondContact O-CB 3.45Å; Y160-E164 PolarHBondContact O-N 3.31Å; Y160-M301 HydrophobicContact CD1-CE 4.06Å; Y160-M301 HydrophobicContact CD1-SD 4.5Å; Y160-M301 HydrophobicContact CE1-CE 4.35Å; Y160-E322 WeakPolarHBondContact CE1-OE1 3.37Å; Y160-E322 PolarHBondContact OH-OE1 3.36Å; Y160-V324 HydrophobicContact CD1-CB 4.5Å; Y160-V324 HydrophobicContact CD1-CG1 3.91Å; Y160-V324 HydrophobicContact CD1-CG2 3.93Å; Y160-V324 HydrophobicContact CD2-CG1 4.23Å; Y160-V324 HydrophobicContact CE1-CB 4.3Å; Y160-V324 HydrophobicContact CE1-CG1 3.96Å; Y160-V324 HydrophobicContact CE1-CG2 3.36Å; Y160-V324 HydrophobicContact CE2-CG1 4.24Å; Y160-V324 HydrophobicContact CG-CG1 4.05Å; Y160-K342 WeakPolarHBondContact OH-CB 3.42Å; Y160-K342 WeakPolarHBondContact OH-CG 3.28Å; Y160-V344 HydrophobicContact CD2-CG2 3.7Å; Y160-V344 HydrophobicContact CE2-CG2 4.34Å; Y160-V344 HydrophobicContact CG-CG2 4.17Å
161I97.7Very high96.1Very high0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-58.9-38.8176.8-67.5164.2000111.4L157 L158 Q159 I165 Y168 Y187 L191 I271 M301L157-I161 WeakPolarHBondContact O-CG1 3.35Å; L157-I161 PolarHBondContact O-N 3.08Å; L158-I161 PolarHBondContact O-N 3.26Å; Q159-I161 PolarHBondContact O-N 3.17Å; I161-I165 HydrophobicContact CB-CD1 4.45Å; I161-I165 HydrophobicContact CG1-CD1 4.14Å; I161-I165 HydrophobicContact CG2-CD1 4.37Å; I161-I165 WeakPolarHBondContact O-CB 3.44Å; I161-Y168 HydrophobicContact CG2-CD2 4.2Å; I161-Y168 HydrophobicContact CG2-CG 4.26Å; I161-Y187 HydrophobicContact CD1-CD1 4.1Å; I161-Y187 HydrophobicContact CD1-CE1 4.35Å; I161-L191 HydrophobicContact CB-CD1 4.48Å; I161-L191 HydrophobicContact CD1-CD1 3.95Å; I161-L191 HydrophobicContact CG2-CD1 3.87Å; I161-L191 HydrophobicContact CG2-CD2 4.46Å; I161-I271 HydrophobicContact CD1-CG2 4.32Å; I161-I271 HydrophobicContact CG1-CD1 4.47Å; I161-I271 HydrophobicContact CG2-CD1 3.9Å; I161-M301 HydrophobicContact CD1-CE 4.44Å; I161-M301 HydrophobicContact CD1-CG 4.19Å; I161-M301 HydrophobicContact CD1-SD 4.33Å; I161-M301 HydrophobicContact CG1-CE 3.7Å; I161-M301 HydrophobicContact CG1-CG 4.43Å; I161-M301 HydrophobicContact CG1-SD 4.03Å
162Q96.8Very high96.2Very high96 Ų9651.2 Ų51.245%0.44925%0.247SC..Hα-helixtrans-76.6-32.9-177.3-70176.3-21.600113.4L158 Q159 Y160 Y168 L191L158-Q162 WeakPolarHBondContact O-CG 3.5Å; L158-Q162 PolarHBondContact O-N 3.31Å; L158-Q162 VanDerWaalsContact O-N 3.11Å; Q159-Q162 PolarHBondContact O-N 3.11Å; Q159-Q162 VanDerWaalsContact O-N 3.08Å; Y160-Q162 VanDerWaalsContact C-N 3.25Å; Y160-Q162 PolarHBondContact O-N 3.39Å; Q162-Y168 HydrophobicContact CB-CE1 4.44Å; Q162-Y168 HydrophobicContact CG-CE1 4.43Å; Q162-Y168 HydrophobicContact CG-CE2 4.05Å; Q162-L191 HydrophobicContact CG-CD2 3.9Å
163E96.8Very high96.4Very high124 Ų12450.2 Ų50.258%0.57924%0.244SC*.Hα-helixtrans-92.8-40.4-174-68.8177.1176.700112.6Q159 Y160Q159-E163 VanDerWaalsContact CG-CD 3.44Å; Q159-E163 HydrophobicContact CG-CG 4.22Å; Q159-E163 VanDerWaalsContact CG-OE1 3.29Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.31Å; Q159-E163 PolarHBondContact NE2-OE1 3.45Å; Q159-E163 PolarHBondContact NE2-OE2 3.03Å; Q159-E163 WeakPolarHBondContact O-CB 3.16Å; Q159-E163 WeakPolarHBondContact O-CG 3.28Å; Q159-E163 PolarHBondContact O-N 3.35Å; Y160-E163 PolarHBondContact O-N 2.98Å
164E97.3Very high96.5Very high122 Ų12250.2 Ų50.257%0.5724%0.244SC*.Hα-helixtrans-106.2-25.4-168.2-61.4-65.614900113.6Y160 P166Y160-E164 HydrophobicContact CD1-CB 4.15Å; Y160-E164 HydrophobicContact CD2-CB 4.35Å; Y160-E164 HydrophobicContact CD2-CG 3.91Å; Y160-E164 HydrophobicContact CE1-CB 3.84Å; Y160-E164 HydrophobicContact CE1-CG 4.42Å; Y160-E164 HydrophobicContact CE2-CB 4.09Å; Y160-E164 HydrophobicContact CE2-CG 3.77Å; Y160-E164 HydrophobicContact CG-CB 4.39Å; Y160-E164 HydrophobicContact CG-CG 4.33Å; Y160-E164 WeakPolarHBondContact O-CB 3.45Å; Y160-E164 PolarHBondContact O-N 3.31Å; E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.31Å
165I97.1Very high96.6Very high5 Ų550.2 Ų50.23%0.02624%0.243CC..SBendtrans-87.3114.2178.3-61.2-175.2000110.2I161 I269 I271 Y299 M301I161-I165 HydrophobicContact CB-CD1 4.45Å; I161-I165 HydrophobicContact CG1-CD1 4.14Å; I161-I165 HydrophobicContact CG2-CD1 4.37Å; I161-I165 WeakPolarHBondContact O-CB 3.44Å; I165-I269 HydrophobicContact CG2-CD1 4.21Å; I165-I271 HydrophobicContact CD1-CD1 3.96Å; I165-I271 HydrophobicContact CD1-CG1 4.46Å; I165-Y299 HydrophobicContact CD1-CD1 3.6Å; I165-Y299 HydrophobicContact CD1-CD2 4.12Å; I165-Y299 HydrophobicContact CD1-CE1 3.96Å; I165-Y299 HydrophobicContact CD1-CE2 4.4Å; I165-Y299 HydrophobicContact CD1-CG 3.72Å; I165-Y299 HydrophobicContact CG1-CD1 4.02Å; I165-Y299 HydrophobicContact CG1-CE1 3.88Å; I165-Y299 HydrophobicContact CG2-CE2 4Å; I165-M301 HydrophobicContact CD1-CE 3.45Å; I165-M301 VanDerWaalsContact CD1-CE 3.45Å; I165-M301 HydrophobicContact CG1-CE 4.49Å
166P94.6Very high96.5Very high83 Ų8349.3 Ų49.354%0.53923%0.234SC..THydrogen-bonded Turntrans-65.9141.6175.429-34.3000110E164 Y168 I269E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-Y168 PolarHBondContact O-N 3.01Å; P166-Y168 VanDerWaalsContact O-N 3.14Å; P166-I269 WeakPolarHBondContact O-CD1 3.25Å
167D94.9Very high96.3Very high124 Ų12448.2 Ų48.266%0.66323%0.233SC*.THydrogen-bonded Turntrans53.333.1178.6-61.5-33.1000114.6R169 N170D167-R169 PolarHBondContact O-N 3.4Å; D167-N170 PolarHBondContact O-N 2.85Å
168Y96.7Very high95.9Very high36 Ų3651.9 Ų51.914%0.14126%0.257CS..G310 helixtrans-54.8-21.217882-89.6000113.5I161 Q162 P166 N170 A171 L191I161-Y168 HydrophobicContact CG2-CD2 4.2Å; I161-Y168 HydrophobicContact CG2-CG 4.26Å; Q162-Y168 HydrophobicContact CB-CE1 4.44Å; Q162-Y168 HydrophobicContact CG-CE1 4.43Å; Q162-Y168 HydrophobicContact CG-CE2 4.05Å; P166-Y168 PolarHBondContact O-N 3.01Å; P166-Y168 VanDerWaalsContact O-N 3.14Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.38Å; Y168-A171 WeakPolarHBondContact O-CB 3.46Å; Y168-A171 PolarHBondContact O-N 2.86Å; Y168-L191 HydrophobicContact CE2-CD2 4.27Å
169R97.1Very high95.5Very high151 Ų15155.7 Ų55.757%0.5728%0.284SS*.G310 helixtrans-66.2-25.1174.1-67.4-66-173.1168.90.4113.7D167 A171 L191 L193D167-R169 PolarHBondContact O-N 3.4Å; R169-A171 VanDerWaalsContact C-N 3.27Å; R169-L191 PolarHBondContact NH1-O 3.07Å; R169-L193 WeakPolarHBondContact O-CD2 3.22Å
170N96.9Very high95.2Very high71 Ų7151.6 Ų51.638%0.3827%0.266SS..G310 helixtrans-90.711.1171.2-170.234.7000112D167 Y168 G267 R268 I269D167-N170 PolarHBondContact O-N 2.85Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.38Å; N170-G267 PolarHBondContact ND2-O 2.84Å; N170-R268 WeakPolarHBondContact O-CA 3.46Å; N170-R268 VanDerWaalsContact O-CB 3.27Å; N170-R268 WeakPolarHBondContact O-CB 3.39Å; N170-I269 PolarHBondContact O-N 2.94Å
171A97.9Very high94.9Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-84.4161.4177.200000112.7Y168 R169 L193 I269 I271Y168-A171 WeakPolarHBondContact O-CB 3.46Å; Y168-A171 PolarHBondContact O-N 2.86Å; R169-A171 VanDerWaalsContact C-N 3.27Å; A171-L193 HydrophobicContact CB-CD1 4.09Å; A171-I269 CarbonylContact C-O 3.55Å; A171-I269 WeakPolarHBondContact CA-O 3.48Å; A171-I269 HydrophobicContact CB-CB 3.81Å; A171-I269 HydrophobicContact CB-CG2 4.22Å; A171-I269 WeakPolarHBondContact CB-O 3.26Å; A171-I271 HydrophobicContact CB-CD1 3.69Å; A171-I271 HydrophobicContact CB-CG1 4.08Å
172I98.1Very high94.7Very high5 Ų557.2 Ų57.23%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-125.6133.9168.1-174.7162.5000108.6V174 A196 D264 V265 R268 I269 I271I172-V174 HydrophobicContact CG2-CG2 4.38Å; I172-A196 HydrophobicContact CD1-CB 3.79Å; I172-A196 HydrophobicContact CG1-CB 4.2Å; I172-D264 WeakPolarHBondContact CD1-O 3.38Å; I172-V265 HydrophobicContact CD1-CG1 4.27Å; I172-V265 HydrophobicContact CG2-CB 4.3Å; I172-V265 HydrophobicContact CG2-CG1 4.01Å; I172-R268 HydrophobicContact CG2-CB 4.21Å; I172-I269 PolarHBondContact N-O 3.45Å; I172-I271 PolarHBondContact O-N 2.82Å
173I98.3Very high94.5Very high0 Ų054.2 Ų54.20%028%0.28CS..EExtended strand (participates in β ladder)trans-81.7132.4176.1-54.3-53.4000108.5A184 A188 L191 L193 G194 L195 A196 I271 V273I173-A184 HydrophobicContact CG2-CB 3.92Å; I173-A184 WeakPolarHBondContact CG2-O 3.4Å; I173-A188 HydrophobicContact CB-CB 4.1Å; I173-A188 HydrophobicContact CG1-CB 4.01Å; I173-L191 HydrophobicContact CD1-CD1 3.97Å; I173-L193 HydrophobicContact CD1-CD1 4.01Å; I173-L193 HydrophobicContact CG1-CB 4.34Å; I173-L193 HydrophobicContact CG1-CD1 4.29Å; I173-G194 PolarHBondContact N-O 3.03Å; I173-L195 CarbonylContact O-C 3.59Å; I173-L195 WeakPolarHBondContact O-CA 3.47Å; I173-A196 PolarHBondContact O-N 3.04Å; I173-I271 CarbonylContact C-O 3.51Å; I173-I271 WeakPolarHBondContact CA-O 3.39Å; I173-I271 HydrophobicContact CD1-CB 3.96Å; I173-I271 HydrophobicContact CD1-CD1 4.2Å; I173-I271 HydrophobicContact CD1-CG2 4.33Å; I173-V273 HydrophobicContact CG2-CB 4.37Å; I173-V273 HydrophobicContact CG2-CG2 3.7Å
174V97.9Very high94.5Very high0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-117.5128.7-176.2-172.90000110.1I172 A196 M198 A270 I271 I272 V273 L290I172-V174 HydrophobicContact CG2-CG2 4.38Å; V174-A196 CarbonylContact C-O 3.53Å; V174-A196 VanDerWaalsContact CA-O 3.31Å; V174-A196 WeakPolarHBondContact CA-O 3.48Å; V174-A196 HydrophobicContact CG2-CB 4.31Å; V174-M198 HydrophobicContact CG1-CG 4.05Å; V174-A270 HydrophobicContact CG2-CB 3.96Å; V174-I271 PolarHBondContact N-O 3.45Å; V174-I272 HydrophobicContact CB-CG1 4.08Å; V174-I272 HydrophobicContact CG1-CG1 4.35Å; V174-I272 VanDerWaalsContact O-CA 3.31Å; V174-I272 WeakPolarHBondContact O-CA 3.19Å; V174-V273 PolarHBondContact O-N 3.13Å; V174-L290 HydrophobicContact CG1-CD1 4.27Å; V174-L290 HydrophobicContact CG1-CD2 4.2Å; V174-L290 HydrophobicContact CG2-CD1 4.35Å; V174-L290 HydrophobicContact CG2-CD2 4.06Å
175A96.5Very high94.4Very high0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-89.9124.316700000110S177 A180 A181 A184 A196 V197 M198A175-S177 PolarHBondContact O-N 2.97Å; A175-A180 HydrophobicContact CB-CB 4.37Å; A175-A181 HydrophobicContact CB-CB 4.33Å; A175-A184 HydrophobicContact CB-CB 3.64Å; A175-A196 PolarHBondContact N-O 3.14Å; A175-V197 HydrophobicContact CB-CB 4.42Å; A175-V197 HydrophobicContact CB-CG1 4.21Å; A175-V197 HydrophobicContact CB-CG2 4.13Å; A175-M198 PolarHBondContact O-N 2.89Å
176K91.9Very high94.3Very high32 Ų3246.5 Ų46.514%0.13924%0.244CC..SBendtrans-60-29.1177.2-171.9-178.379.477.80113.1M198 I272 D274 D282 F283K176-M198 HydrophobicContact CG-CE 4.26Å; K176-M198 WeakPolarHBondContact O-CB 3.49Å; K176-M198 WeakPolarHBondContact O-CE 3.29Å; K176-I272 HydrophobicContact CB-CG2 4.16Å; K176-D274 VanDerWaalsContact CE-OD2 3.24Å; K176-D274 WeakPolarHBondContact CE-OD2 3.44Å; K176-D282 HydrophobicContact CD-CB 4.06Å; K176-D282 IonicContact NZ-OD2 3.92Å; K176-D282 PolarHBondContact NZ-OD2 3.09Å; K176-F283 HydrophobicContact CD-CD1 3.77Å; K176-F283 HydrophobicContact CD-CD2 3.79Å; K176-F283 HydrophobicContact CD-CE1 3.66Å; K176-F283 HydrophobicContact CD-CE2 3.67Å; K176-F283 HydrophobicContact CD-CG 3.86Å; K176-F283 HydrophobicContact CD-CZ 3.61Å
177S89.7Confident94.4Very high27 Ų2742.8 Ų42.819%0.18922%0.219CC..SBendtrans-151.6164-179.564.70000110.7A175 S179 A180 A181A175-S177 PolarHBondContact O-N 2.97Å; S177-S179 PolarHBondContact O-N 2.98Å; S177-S179 VanDerWaalsContact O-N 3.14Å; S177-S179 PolarHBondContact OG-OG 2.55Å; S177-A180 PolarHBondContact O-N 3.35Å; S177-A181 PolarHBondContact O-N 3.18Å
178P89.6Confident94.4Very high77 Ų7737.1 Ų37.150%0.519%0.189SC..G310 helixtrans-58.1-28.8176-26.236.3000113.4A180 A181 M198P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.1Å; P178-A181 VanDerWaalsContact O-CB 3.26Å; P178-A181 WeakPolarHBondContact O-CB 3.3Å; P178-A181 PolarHBondContact O-N 3.32Å; P178-M198 WeakPolarHBondContact CD-O 3.39Å
179S86.3Confident94.4Very high94 Ų9440.7 Ų40.766%0.65721%0.207SC*.G310 helixtrans-70.3-26.817644.90000113.7S177 A181S177-S179 PolarHBondContact O-N 2.98Å; S177-S179 VanDerWaalsContact O-N 3.14Å; S177-S179 PolarHBondContact OG-OG 2.55Å; S179-A181 VanDerWaalsContact C-N 3.34Å
180A89.3Confident94.2Very high2 Ų236.2 Ų36.22%0.01719%0.19CC..G310 helixtrans-85.9-5.9176.100000112.9A175 S177 P178 K182 R183 A184A175-A180 HydrophobicContact CB-CB 4.37Å; S177-A180 PolarHBondContact O-N 3.35Å; P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.1Å; A180-K182 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.07Å; A180-R183 PolarHBondContact O-N 3.09Å; A180-A184 PolarHBondContact O-N 2.89Å; A180-A184 VanDerWaalsContact O-N 3.08Å
181A92.5Very high94.2Very high23 Ų2332.9 Ų32.919%0.1917%0.173CC..Hα-helixtrans-59.1-39.4-172.600000113.8A175 S177 P178 S179 R183 A184 Q185 V197A175-A181 HydrophobicContact CB-CB 4.33Å; S177-A181 PolarHBondContact O-N 3.18Å; P178-A181 VanDerWaalsContact O-CB 3.26Å; P178-A181 WeakPolarHBondContact O-CB 3.3Å; P178-A181 PolarHBondContact O-N 3.32Å; S179-A181 VanDerWaalsContact C-N 3.34Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.14Å; A181-A184 PolarHBondContact O-N 2.83Å; A181-Q185 VanDerWaalsContact O-CB 3.27Å; A181-Q185 WeakPolarHBondContact O-CB 3.33Å; A181-Q185 PolarHBondContact O-N 3.16Å; A181-V197 HydrophobicContact CB-CG1 4.46Å; A181-V197 HydrophobicContact CB-CG2 4.21Å
182K92.2Very high94.1Very high129 Ų12943.1 Ų43.156%0.56121%0.211SC*.Hα-helixtrans-61.2-42.5178.4-67.6-172.1177.3-171.40112.4A180 Q185 S186A180-K182 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.07Å; K182-Q185 WeakPolarHBondContact O-CB 3.17Å; K182-Q185 PolarHBondContact O-N 3Å; K182-S186 PolarHBondContact O-N 3.33Å
183R93.2Very high94.1Very high34 Ų3444 Ų4413%0.12822%0.216CC..Hα-helixtrans-66.1-48.8178.1-171.9-176.2-55.5122-2.3111.1A180 A181 Q185 S186 Y187 V273 D274 D275A180-R183 PolarHBondContact O-N 3.09Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.14Å; R183-Q185 VanDerWaalsContact C-N 3.28Å; R183-Q185 PolarHBondContact O-N 2.89Å; R183-S186 WeakPolarHBondContact O-CB 3.43Å; R183-S186 PolarHBondContact O-N 2.74Å; R183-Y187 HydrophobicContact CG-CE2 4.31Å; R183-Y187 WeakPolarHBondContact O-CD2 3.23Å; R183-Y187 PolarHBondContact O-N 3.07Å; R183-V273 HydrophobicContact CG-CG1 4.03Å; R183-D274 IonicContact CZ-OD1 2.97Å; R183-D274 IonicContact NH1-OD1 3.71Å; R183-D274 PolarHBondContact NH1-OD1 3.25Å; R183-D275 VanDerWaalsContact CZ-CB 3.41Å; R183-D275 IonicContact CZ-OD1 3.13Å; R183-D275 IonicContact NH1-OD1 3.18Å; R183-D275 PolarHBondContact NH1-OD1 3.01Å; R183-D275 VanDerWaalsContact NH2-CB 3.3Å; R183-D275 IonicContact NH2-OD1 2.93Å; R183-D275 PolarHBondContact NH2-OD1 3.12Å; R183-D275 IonicContact NH2-OD2 3.91Å
184A95.7Very high94Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-59.4-40.3176.300000111.9I173 A175 A180 A181 S186 Y187 A188 L195I173-A184 HydrophobicContact CG2-CB 3.92Å; I173-A184 WeakPolarHBondContact CG2-O 3.4Å; A175-A184 HydrophobicContact CB-CB 3.64Å; A180-A184 PolarHBondContact O-N 2.89Å; A180-A184 VanDerWaalsContact O-N 3.08Å; A181-A184 PolarHBondContact O-N 2.83Å; A184-S186 PolarHBondContact O-N 3.33Å; A184-Y187 PolarHBondContact O-N 3.09Å; A184-A188 WeakPolarHBondContact O-CB 3.39Å; A184-A188 PolarHBondContact O-N 2.96Å; A184-L195 HydrophobicContact CB-CD1 3.55Å
185Q95.7Very high93.9Very high88 Ų8848.5 Ų48.541%0.41125%0.246SC..Hα-helixtrans-60.1-45.1175.1-178.5179-3.800111.7A181 K182 R183 Y187 A188 E189 L195A181-Q185 VanDerWaalsContact O-CB 3.27Å; A181-Q185 WeakPolarHBondContact O-CB 3.33Å; A181-Q185 PolarHBondContact O-N 3.16Å; K182-Q185 WeakPolarHBondContact O-CB 3.17Å; K182-Q185 PolarHBondContact O-N 3Å; R183-Q185 VanDerWaalsContact C-N 3.28Å; R183-Q185 PolarHBondContact O-N 2.89Å; Q185-Y187 VanDerWaalsContact C-N 3.3Å; Q185-Y187 PolarHBondContact O-N 2.85Å; Q185-A188 WeakPolarHBondContact O-CB 3.32Å; Q185-A188 PolarHBondContact O-N 3.38Å; Q185-A188 VanDerWaalsContact O-N 3.14Å; Q185-E189 HydrophobicContact CG-CG 4.33Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.27Å; Q185-E189 PolarHBondContact NE2-OE1 3.18Å; Q185-E189 WeakPolarHBondContact O-CG 2.91Å; Q185-E189 PolarHBondContact O-N 2.85Å; Q185-L195 HydrophobicContact CB-CD2 3.99Å; Q185-L195 HydrophobicContact CG-CD2 4.46Å
186S94.6Very high94Very high1 Ų148.5 Ų48.51%0.00725%0.246CC..Hα-helixtrans-59.2-39.9177.5-179.40000112.8K182 R183 A184 R190 T371 D374K182-S186 PolarHBondContact O-N 3.33Å; R183-S186 WeakPolarHBondContact O-CB 3.43Å; R183-S186 PolarHBondContact O-N 2.74Å; A184-S186 PolarHBondContact O-N 3.33Å; S186-R190 WeakPolarHBondContact O-CG 3.23Å; S186-R190 PolarHBondContact O-N 2.99Å; S186-R190 PolarHBondContact OG-NH2 3.09Å; S186-R190 VanDerWaalsContact OG-NH2 3.13Å; S186-T371 PolarHBondContact OG-OG1 3.15Å; S186-D374 WeakPolarHBondContact CB-OD1 3.12Å; S186-D374 PolarHBondContact OG-OD1 3.22Å
187Y96.4Very high94.1Very high5 Ų548.4 Ų48.42%0.0225%0.249CC..Hα-helixtrans-66.2-44.5173.9-83.2-117.8000111.7S154 L157 L158 I161 R183 A184 Q185 E189 R190 L191 V273S154-Y187 WeakPolarHBondContact CA-OH 3.33Å; L157-Y187 HydrophobicContact CB-CE1 4.1Å; L157-Y187 VanDerWaalsContact CD1-OH 3.32Å; L157-Y187 WeakPolarHBondContact CD1-OH 3.44Å; L158-Y187 HydrophobicContact CD2-CD1 3.78Å; L158-Y187 HydrophobicContact CD2-CE1 4.3Å; L158-Y187 HydrophobicContact CD2-CG 4.24Å; L158-Y187 HydrophobicContact CG-CD1 4.18Å; L158-Y187 HydrophobicContact CG-CE1 4.22Å; I161-Y187 HydrophobicContact CD1-CD1 4.1Å; I161-Y187 HydrophobicContact CD1-CE1 4.35Å; R183-Y187 HydrophobicContact CG-CE2 4.31Å; R183-Y187 WeakPolarHBondContact O-CD2 3.23Å; R183-Y187 PolarHBondContact O-N 3.07Å; A184-Y187 PolarHBondContact O-N 3.09Å; Q185-Y187 VanDerWaalsContact C-N 3.3Å; Q185-Y187 PolarHBondContact O-N 2.85Å; Y187-E189 PolarHBondContact O-N 3.44Å; Y187-R190 PolarHBondContact O-N 3.45Å; Y187-L191 WeakPolarHBondContact O-CB 3.18Å; Y187-L191 WeakPolarHBondContact O-CG 3.43Å; Y187-L191 PolarHBondContact O-N 3.33Å; Y187-V273 HydrophobicContact CD1-CG1 4.21Å; Y187-V273 HydrophobicContact CD1-CG2 3.93Å; Y187-V273 HydrophobicContact CD2-CG1 3.88Å; Y187-V273 HydrophobicContact CE1-CG1 4.14Å; Y187-V273 HydrophobicContact CE1-CG2 4.37Å; Y187-V273 HydrophobicContact CE2-CG1 3.78Å; Y187-V273 HydrophobicContact CG-CG1 4.08Å; Y187-V273 HydrophobicContact CG-CG2 4.12Å
188A96.6Very high94.2Very high5 Ų547.5 Ų47.54%0.04124%0.241CC..Hα-helixtrans-60.6-43.9179.200000111.9I173 A184 Q185 L191 R192 L193 L195I173-A188 HydrophobicContact CB-CB 4.1Å; I173-A188 HydrophobicContact CG1-CB 4.01Å; A184-A188 WeakPolarHBondContact O-CB 3.39Å; A184-A188 PolarHBondContact O-N 2.96Å; Q185-A188 WeakPolarHBondContact O-CB 3.32Å; Q185-A188 PolarHBondContact O-N 3.38Å; Q185-A188 VanDerWaalsContact O-N 3.14Å; A188-L191 PolarHBondContact O-N 3.13Å; A188-R192 CarbonylContact O-C 3.56Å; A188-R192 VanDerWaalsContact O-CA 3.3Å; A188-R192 WeakPolarHBondContact O-CA 3.44Å; A188-R192 PolarHBondContact O-N 3.11Å; A188-L193 PolarHBondContact O-N 3.41Å; A188-L195 HydrophobicContact CB-CB 4.29Å
189E95.3Very high94Very high110 Ų11048.1 Ų48.151%0.51424%0.237SC..Hα-helixtrans-62.9-43.5178.8-74.4176.5-173.900112.1Q185 Y187 R192Q185-E189 HydrophobicContact CG-CG 4.33Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.27Å; Q185-E189 PolarHBondContact NE2-OE1 3.18Å; Q185-E189 WeakPolarHBondContact O-CG 2.91Å; Q185-E189 PolarHBondContact O-N 2.85Å; Y187-E189 PolarHBondContact O-N 3.44Å; E189-R192 PolarHBondContact O-N 2.8Å
190R93.7Very high93.4Very high58 Ų5844.9 Ų44.922%0.21922%0.219CC..Hα-helixtrans-71.5-36.5-179.3-68.4174.4-167.1179.512.8113.1S154 L158 S186 Y187 R192 T371 D374S154-R190 PolarHBondContact OG-NH1 3.13Å; S154-R190 VanDerWaalsContact OG-NH1 3.08Å; L158-R190 HydrophobicContact CD1-CB 4.19Å; L158-R190 VanDerWaalsContact CD1-CD 3.44Å; L158-R190 HydrophobicContact CD1-CG 4.48Å; L158-R190 HydrophobicContact CD2-CB 4.35Å; S186-R190 WeakPolarHBondContact O-CG 3.23Å; S186-R190 PolarHBondContact O-N 2.99Å; S186-R190 PolarHBondContact OG-NH2 3.09Å; S186-R190 VanDerWaalsContact OG-NH2 3.13Å; Y187-R190 PolarHBondContact O-N 3.45Å; R190-R192 VanDerWaalsContact C-N 3.33Å; R190-T371 PolarHBondContact NH2-OG1 3.48Å; R190-D374 IonicContact CZ-OD1 3.51Å; R190-D374 IonicContact CZ-OD2 2.78Å; R190-D374 IonicContact NH1-OD1 3.6Å; R190-D374 IonicContact NH1-OD2 2.81Å; R190-D374 PolarHBondContact NH1-OD2 3.37Å; R190-D374 IonicContact NH2-OD1 3.63Å; R190-D374 PolarHBondContact NH2-OD1 3.04Å; R190-D374 IonicContact NH2-OD2 3.8Å; R190-D374 PolarHBondContact NH2-OD2 2.85Å
191L95.8Very high92.2Very high1 Ų148.5 Ų48.51%0.00524%0.236CC..Hα-helixtrans-83.2-12.6176.7-64.1173000112.9L158 I161 Q162 Y168 R169 I173 Y187 A188 L193L158-L191 HydrophobicContact CD2-CD1 3.76Å; L158-L191 HydrophobicContact CD2-CD2 3.74Å; L158-L191 HydrophobicContact CD2-CG 3.51Å; I161-L191 HydrophobicContact CB-CD1 4.48Å; I161-L191 HydrophobicContact CD1-CD1 3.95Å; I161-L191 HydrophobicContact CG2-CD1 3.87Å; I161-L191 HydrophobicContact CG2-CD2 4.46Å; Q162-L191 HydrophobicContact CG-CD2 3.9Å; Y168-L191 HydrophobicContact CE2-CD2 4.27Å; R169-L191 PolarHBondContact NH1-O 3.07Å; I173-L191 HydrophobicContact CD1-CD1 3.97Å; Y187-L191 WeakPolarHBondContact O-CB 3.18Å; Y187-L191 WeakPolarHBondContact O-CG 3.43Å; Y187-L191 PolarHBondContact O-N 3.33Å; A188-L191 PolarHBondContact O-N 3.13Å; L191-L193 HydrophobicContact CB-CB 4.44Å; L191-L193 HydrophobicContact CB-CD1 3.66Å; L191-L193 HydrophobicContact CB-CG 3.69Å; L191-L193 HydrophobicContact CD1-CD1 3.92Å; L191-L193 HydrophobicContact CG-CD1 4.43Å
192R96.8Very high90.3Very high214 Ų21449.4 Ų49.481%0.80824%0.243SC*.THydrogen-bonded Turntrans57.947.6-171.6-52.8179.5-175.8168.2-0111.8A188 E189 R190A188-R192 CarbonylContact O-C 3.56Å; A188-R192 VanDerWaalsContact O-CA 3.3Å; A188-R192 WeakPolarHBondContact O-CA 3.44Å; A188-R192 PolarHBondContact O-N 3.11Å; E189-R192 PolarHBondContact O-N 2.8Å; R190-R192 VanDerWaalsContact C-N 3.33Å
193L97.1Very high87.9Confident24 Ų2452.6 Ų52.613%0.12626%0.26CS..  trans-112.6168.1-179.5-61.8178.1000111.1R169 A171 I173 A188 L191R169-L193 WeakPolarHBondContact O-CD2 3.22Å; A171-L193 HydrophobicContact CB-CD1 4.09Å; I173-L193 HydrophobicContact CD1-CD1 4.01Å; I173-L193 HydrophobicContact CG1-CB 4.34Å; I173-L193 HydrophobicContact CG1-CD1 4.29Å; A188-L193 PolarHBondContact O-N 3.41Å; L191-L193 HydrophobicContact CB-CB 4.44Å; L191-L193 HydrophobicContact CB-CD1 3.66Å; L191-L193 HydrophobicContact CB-CG 3.69Å; L191-L193 HydrophobicContact CD1-CD1 3.92Å; L191-L193 HydrophobicContact CG-CD1 4.43Å
194G96.6Very high85.3Confident30 Ų3056.6 Ų56.631%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-69.3163.5170.300000112.2I173I173-G194 PolarHBondContact N-O 3.03Å
195L97.3Very high82.5Confident64 Ų6459.1 Ų59.134%0.33531%0.31SS..EExtended strand (participates in β ladder)trans-120.9132.9173.2177.867.5000109.3I173 A184 Q185 A188 V197I173-L195 CarbonylContact O-C 3.59Å; I173-L195 WeakPolarHBondContact O-CA 3.47Å; A184-L195 HydrophobicContact CB-CD1 3.55Å; Q185-L195 HydrophobicContact CB-CD2 3.99Å; Q185-L195 HydrophobicContact CG-CD2 4.46Å; A188-L195 HydrophobicContact CB-CB 4.29Å; L195-V197 HydrophobicContact CD2-CG2 4.33Å; L195-V197 HydrophobicContact CG-CG2 4.22Å
196A96.8Very high80Confident0 Ų064 Ų640%033%0.332CS..EExtended strand (participates in β ladder)trans-119.5150164.200000109.8I172 I173 V174 A175 V261 V262 V265I172-A196 HydrophobicContact CD1-CB 3.79Å; I172-A196 HydrophobicContact CG1-CB 4.2Å; I173-A196 PolarHBondContact O-N 3.04Å; V174-A196 CarbonylContact C-O 3.53Å; V174-A196 VanDerWaalsContact CA-O 3.31Å; V174-A196 WeakPolarHBondContact CA-O 3.48Å; V174-A196 HydrophobicContact CG2-CB 4.31Å; A175-A196 PolarHBondContact N-O 3.14Å; A196-V261 HydrophobicContact CB-CG1 4.19Å; A196-V262 CarbonylContact C-O 3.59Å; A196-V262 VanDerWaalsContact CA-O 3.23Å; A196-V262 WeakPolarHBondContact CA-O 3.35Å; A196-V265 HydrophobicContact CB-CG1 3.83Å
197V95.9Very high77.6Confident31 Ų3167.3 Ų67.319%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-130.1130.1-180-178.60000108.4A175 A181 L195 V262A175-V197 HydrophobicContact CB-CB 4.42Å; A175-V197 HydrophobicContact CB-CG1 4.21Å; A175-V197 HydrophobicContact CB-CG2 4.13Å; A181-V197 HydrophobicContact CB-CG1 4.46Å; A181-V197 HydrophobicContact CB-CG2 4.21Å; L195-V197 HydrophobicContact CD2-CG2 4.33Å; L195-V197 HydrophobicContact CG-CG2 4.22Å; V197-V262 PolarHBondContact N-O 3.46Å; V197-V262 PolarHBondContact O-N 3.12Å
198M90.9Very high75.2Confident7 Ų771.2 Ų71.23%0.03438%0.377CS..EExtended strand (participates in β ladder)trans-84.1142.8170.2-50.6-151.1-43.200111.2V174 A175 K176 P178 I259 T260 V261 A286V174-M198 HydrophobicContact CG1-CG 4.05Å; A175-M198 PolarHBondContact O-N 2.89Å; K176-M198 HydrophobicContact CG-CE 4.26Å; K176-M198 WeakPolarHBondContact O-CB 3.49Å; K176-M198 WeakPolarHBondContact O-CE 3.29Å; P178-M198 WeakPolarHBondContact CD-O 3.39Å; M198-I259 HydrophobicContact CE-CG2 4.1Å; M198-I259 HydrophobicContact SD-CG2 4.41Å; M198-T260 WeakPolarHBondContact CA-O 3.39Å; M198-V261 HydrophobicContact CG-CG2 4.26Å; M198-V261 HydrophobicContact SD-CG2 4.36Å; M198-A286 HydrophobicContact CE-CB 3.17Å; M198-A286 VanDerWaalsContact SD-CA 3.54Å; M198-A286 HydrophobicContact SD-CB 3.42Å; M198-A286 WeakPolarHBondContact SD-CB 3.33Å
199H85.1Confident72.7Confident90 Ų9078.5 Ų78.542%0.41741%0.412SS..EExtended strand (participates in β ladder)trans-137.7141.8178.717575000110.5P257 I259 T260H199-P257 WeakPolarHBondContact NE2-CG 3.46Å; H199-I259 CarbonylContact O-C 3.58Å; H199-I259 WeakPolarHBondContact O-CA 3.46Å; H199-T260 PolarHBondContact N-O 3.47Å; H199-T260 PolarHBondContact O-N 3.03Å; H199-T260 PolarHBondContact O-OG1 3.33Å
200G74.2Confident70.4Confident27 Ų2778.2 Ų78.228%0.27843%0.429SS..SBendtrans112.3177.1-175.500000111.1P257G200-P257 WeakPolarHBondContact CA-O 3.42Å
201E64Low68.4Low78 Ų7878.1 Ų78.136%0.36443%0.432SS..  trans-130.4137.7178.5-69.5-179.4-153.700109.9K256 P257 I259E201-K256 IonicContact OE1-NZ 3.15Å; E201-K256 PolarHBondContact OE1-NZ 2.85Å; E201-K256 WeakPolarHBondContact OE2-CD 3.31Å; E201-K256 IonicContact OE2-NZ 2.99Å; E201-K256 PolarHBondContact OE2-NZ 3.08Å; E201-P257 PolarHBondContact N-O 2.92Å; E201-I259 VanDerWaalsContact C-CG1 3.45Å
202A52.3Low66.5Low42 Ų4280.2 Ų80.235%0.34746%0.455SS..SBendtrans-66.3144.9157.700000106.6C204 I259A202-C204 PolarHBondContact O-N 2.93Å; A202-I259 HydrophobicContact CB-CD1 3.63Å; A202-I259 VanDerWaalsContact N-CD1 3.28Å
203Q42.9Very low64.2Low196 Ų19676.9 Ų76.992%0.91644%0.442SS*.SBendtrans-32.5131.7-171.1-68.4178.6-1800115.3S205Q203-S205 PolarHBondContact O-N 2.65Å
204C38Very low61.8Low118 Ų11883.8 Ų83.880%0.79747%0.473SS*.  trans1785.3170.5-86.40000116.9A202A202-C204 PolarHBondContact O-N 2.93Å
205S36.3Very low59.6Low53 Ų5386.1 Ų86.137%0.37149%0.485SS..  trans-58.4137.2155.858.80000110.1Q203 S207 D208Q203-S205 PolarHBondContact O-N 2.65Å; S205-S207 WeakPolarHBondContact CB-OG 3.44Å; S205-S207 PolarHBondContact O-N 2.59Å; S205-S207 PolarHBondContact OG-OG 3.2Å; S205-D208 PolarHBondContact O-N 2.84Å
206E42.7Very low57.5Low189 Ų18988.4 Ų88.488%0.88350%0.504SS*.G310 helixtrans-52.2-16.8-179.9-71.3-169.8144.200113.9D208E206-D208 PolarHBondContact O-N 2.96Å; E206-D208 VanDerWaalsContact O-N 3.08Å
207S45.4Very low55.1Low71 Ų7193.6 Ų93.650%0.49754%0.537SS..G310 helixtrans-56-21176.814.70000115.1K109 S205K109-S207 WeakPolarHBondContact CE-O 3.37Å; K109-S207 PolarHBondContact NZ-O 3.13Å; S205-S207 WeakPolarHBondContact CB-OG 3.44Å; S205-S207 PolarHBondContact O-N 2.59Å; S205-S207 PolarHBondContact OG-OG 3.2Å
208D45.6Very low52.3Low88 Ų8898.2 Ų98.247%0.47157%0.568SS.*G310 helixtrans-122.219.8-163.4-74.2-17.1000117.2S205 E206 A210 K256S205-D208 PolarHBondContact O-N 2.84Å; E206-D208 PolarHBondContact O-N 2.96Å; E206-D208 VanDerWaalsContact O-N 3.08Å; D208-A210 PolarHBondContact O-N 3.09Å; D208-K256 IonicContact OD2-NZ 2.96Å; D208-K256 PolarHBondContact OD2-NZ 3.46Å
209M44.8Very low50.1Low157 Ų157106.5 Ų106.577%0.77361%0.609SS**SBendtrans-55.1126.6160.9-78.5-87.9176.900110.6K109 D211K109-M209 WeakPolarHBondContact CE-O 3.38Å; K109-M209 PolarHBondContact NZ-O 3.01Å; M209-D211 PolarHBondContact O-N 2.68Å
210A47Very low48Very low105 Ų105107.7 Ų107.787%0.86863%0.628SS**  trans-41.3129.3-175.300000113.2D208 G212D208-A210 PolarHBondContact O-N 3.09Å; A210-G212 PolarHBondContact O-N 2.87Å
211D50.8Low46.3Very low55 Ų55112.1 Ų112.129%0.29465%0.654SS.*  trans-76.67.4-161.470.58.9000116.4K109 M209 R213K109-D211 HydrophobicContact CB-CB 3.9Å; K109-D211 HydrophobicContact CD-CB 3.82Å; K109-D211 HydrophobicContact CG-CB 3.59Å; M209-D211 PolarHBondContact O-N 2.68Å; D211-R213 HydrophobicContact CB-CG 4.31Å; D211-R213 VanDerWaalsContact CG-CG 3.42Å; D211-R213 PolarHBondContact O-N 2.78Å; D211-R213 VanDerWaalsContact OD1-CB 3.3Å; D211-R213 WeakPolarHBondContact OD1-CB 3.33Å; D211-R213 VanDerWaalsContact OD1-CG 3.3Å; D211-R213 WeakPolarHBondContact OD1-CG 3.32Å; D211-R213 PolarHBondContact OD1-N 2.71Å; D211-R213 VanDerWaalsContact OD1-N 3.12Å; D211-R213 WeakPolarHBondContact OD2-CD 3.46Å; D211-R213 WeakPolarHBondContact OD2-CG 3.38Å; D211-R213 IonicContact OD2-CZ 3.79Å; D211-R213 IonicContact OD2-NE 3.89Å; D211-R213 PolarHBondContact OD2-NE 2.78Å; D211-R213 IonicContact OD2-NH1 2.71Å; D211-R213 PolarHBondContact OD2-NH1 2.95Å; D211-R213 VanDerWaalsContact OD2-NH1 3.15Å; D211-R213 IonicContact OD2-NH2 3.8Å
212G54.9Low45Very low46 Ų46111.9 Ų111.947%0.47467%0.672SS.*  trans49.224.6177.300000113.4R110 A210 H214R110-G212 PolarHBondContact NH2-O 2.87Å; A210-G212 PolarHBondContact O-N 2.87Å; G212-H214 CarbonylContact O-C 3.53Å; G212-H214 PolarHBondContact O-N 2.77Å; G212-H214 VanDerWaalsContact O-N 3.09Å
213R49.8Very low44.1Very low143 Ų143121.7 Ų121.754%0.5470%0.7SS.*  trans-63.8-14.4-178.8-81.4-179.2-174.6157.2-1112.7D211 S215D211-R213 HydrophobicContact CB-CG 4.31Å; D211-R213 VanDerWaalsContact CG-CG 3.42Å; D211-R213 PolarHBondContact O-N 2.78Å; D211-R213 VanDerWaalsContact OD1-CB 3.3Å; D211-R213 WeakPolarHBondContact OD1-CB 3.33Å; D211-R213 VanDerWaalsContact OD1-CG 3.3Å; D211-R213 WeakPolarHBondContact OD1-CG 3.32Å; D211-R213 PolarHBondContact OD1-N 2.71Å; D211-R213 VanDerWaalsContact OD1-N 3.12Å; D211-R213 WeakPolarHBondContact OD2-CD 3.46Å; D211-R213 WeakPolarHBondContact OD2-CG 3.38Å; D211-R213 IonicContact OD2-CZ 3.79Å; D211-R213 IonicContact OD2-NE 3.89Å; D211-R213 PolarHBondContact OD2-NE 2.78Å; D211-R213 IonicContact OD2-NH1 2.71Å; D211-R213 PolarHBondContact OD2-NH1 2.95Å; D211-R213 VanDerWaalsContact OD2-NH1 3.15Å; D211-R213 IonicContact OD2-NH2 3.8Å; R213-S215 PolarHBondContact O-N 2.91Å
214H47.3Very low43.8Very low169 Ų169118.3 Ų118.378%0.78269%0.693SS**SBendtrans-86.995.4165.1-53.193.9000108.6G212G212-H214 CarbonylContact O-C 3.53Å; G212-H214 PolarHBondContact O-N 2.77Å; G212-H214 VanDerWaalsContact O-N 3.09Å
215S48.8Very low43.5Very low80 Ų80118.9 Ų118.956%0.55969%0.693SS**PPolyproline II helixtrans-58130.6155.6-54.90000106.9R110 R213R110-S215 PolarHBondContact NH2-OG 3.46Å; R213-S215 PolarHBondContact O-N 2.91Å
216P54Low43.3Very low111 Ų111122.2 Ų122.272%0.72172%0.716SS**PPolyproline II helixtrans-53.7137.4168.5-19.830000108.2
217P45.8Very low42.7Very low109 Ų109117.1 Ų117.171%0.70872%0.715SS**PPolyproline II helixtrans-54.7144.2175.121.8-30.4000109M219P217-M219 PolarHBondContact O-N 2.79Å
218P38Very low41.9Very low129 Ų129122.9 Ų122.984%0.83873%0.734SS**PPolyproline II helixtrans-56.5117.7-178.822.5-31.1000108.4S220P218-S220 PolarHBondContact O-N 2.75Å; P218-S220 VanDerWaalsContact O-N 3.08Å
219M44.3Very low41.7Very low180 Ų180124.3 Ų124.389%0.88775%0.748SS**PPolyproline II helixtrans-60.7117173.5-71.2-169.415900107.2P217 S221P217-M219 PolarHBondContact O-N 2.79Å; M219-S221 PolarHBondContact O-N 3.11Å
220S40.7Very low41Very low116 Ų116120.2 Ų120.281%0.81175%0.745SS**  trans-59.4110.7172.955.80000107.8P218 G222P218-S220 PolarHBondContact O-N 2.75Å; P218-S220 VanDerWaalsContact O-N 3.08Å; S220-G222 PolarHBondContact O-N 3.25Å
221S39.3Very low40.2Very low120 Ų120122.9 Ų122.984%0.83974%0.744SS**  trans-58.1103.3171-67.40000108.8M219 R223M219-S221 PolarHBondContact O-N 3.11Å; S221-R223 PolarHBondContact O-N 3.31Å; S221-R223 VanDerWaalsContact O-N 3.08Å
222G35.6Very low39.5Very low72 Ų72129.4 Ų129.474%0.74277%0.773SS**  trans-61.8108.8167.200000108.5S220 T224S220-G222 PolarHBondContact O-N 3.25Å; G222-T224 PolarHBondContact O-N 3.22Å
223R35Very low38.3Very low249 Ų249134.6 Ų134.694%0.9479%0.789SS**  trans-55.7121.4171-120.3169.6156.7173.7-7.4109.1S221S221-R223 PolarHBondContact O-N 3.31Å; S221-R223 VanDerWaalsContact O-N 3.08Å
224T35.3Very low37.7Very low124 Ų124133.2 Ų133.276%0.76180%0.799SS**  trans-63131.4164.143.20000111G222G222-T224 PolarHBondContact O-N 3.22Å
225T32.6Very low36.9Very low131 Ų131135.8 Ų135.880%0.80480%0.803SS**  trans-178.4113.8131.546.40000112.1
226S32.8Very low36.1Very low122 Ų122137.5 Ų137.585%0.85381%0.811SS**  trans39.1122.213860.40000122.6
227G28.9Very low35.3Very low83 Ų83135.6 Ų135.686%0.85681%0.811SS**  trans152.2106.1152.700000115
228H28.1Very low34.7Very low192 Ų192142.1 Ų142.189%0.88982%0.822SS**  trans-69.8178.9167.9-85.1-69.3000112.4
229P42.1Very low34.5Very low118 Ų118145.2 Ų145.277%0.76682%0.824SS**  -133.1163.4-55.137.6-21000112.1
230G29.6Very low34Very low70 Ų70144.9 Ų144.972%0.72282%0.821SS**  trans119.8143.6150.900000118.3
231L31.3Very low33.8Very low162 Ų162144.7 Ų144.785%0.84882%0.817SS**  trans74.595.2173.3-82.787000117.6
232E36.6Very low33.8Very low191 Ų191143.9 Ų143.989%0.89381%0.811SS**  trans-55.2133.1143-64.3-174.4151.100110
233L28.6Very low34Very low156 Ų156149.8 Ų149.882%0.81782%0.816SS**  trans-159.2145.6142.4-98.2162.9000108.5
234P37.6Very low34.8Very low114 Ų114144.2 Ų144.274%0.7481%0.813SS**  trans-86.9133.1-165.134.5-31.1000110.3
235Y29.4Very low35.6Very low222 Ų222141 Ų14187%0.87180%0.804SS**  trans-136.3113.6164.1-144.8-99.1000111.8
236T32.5Very low36.5Very low117 Ų117141.6 Ų141.672%0.71880%0.801SS**  trans-37141.1164.746.40000114.8
237G38.3Very low37.4Very low71 Ų71145.2 Ų145.273%0.73280%0.804SS**  trans83.375.1141.600000116.7
238R31.6Very low38.8Very low246 Ų246147.9 Ų147.993%0.92880%0.798SS**  trans-128.8103.8140.8-86.1-170.8177.6-178.8-0109.5Q240R238-Q240 PolarHBondContact O-N 3Å
239H34.3Very low40.7Very low193 Ų193143.8 Ų143.889%0.89479%0.789SS**  trans-50.4101.1162.6-79.4-82.2000109.8
240Q34.8Very low41.5Very low173 Ų173146.2 Ų146.281%0.80879%0.793SS**  trans-83.3125.6147.5-156.6161.810.100104.8R238 S242R238-Q240 PolarHBondContact O-N 3Å; Q240-S242 VanDerWaalsContact C-N 3.33Å; Q240-S242 PolarHBondContact O-N 3.25Å
241P35.3Very low42.6Very low112 Ų112151.1 Ų151.173%0.72780%0.8SS**  trans-67.6101.5176.427.5-29000106.6F243P241-F243 PolarHBondContact O-N 3.46Å
242S39.2Very low43.6Very low103 Ų103152 Ų15272%0.7280%0.802SS**  trans-52.3123.3151.937.40000105.6Q240 P244Q240-S242 VanDerWaalsContact C-N 3.33Å; Q240-S242 PolarHBondContact O-N 3.25Å; S242-P244 WeakPolarHBondContact O-CD 3.45Å
243F41Very low44.7Very low196 Ų196147.3 Ų147.386%0.8680%0.796SS**  trans-48.6116.6167.9-84.8-90.4000107.3P241 G245P241-F243 PolarHBondContact O-N 3.46Å; F243-G245 VanDerWaalsContact C-N 3.32Å; F243-G245 PolarHBondContact O-N 2.8Å
244P51.3Low46Very low133 Ų133148.7 Ų148.786%0.86480%0.795SS**  trans-77.394.2175.629.7-26.5000105S242S242-P244 WeakPolarHBondContact O-CD 3.45Å
245G50.9Low46.8Very low56 Ų56151.9 Ų151.958%0.57780%0.8SS**  trans-168.492.7-162.500000114.9F243F243-G245 VanDerWaalsContact C-N 3.32Å; F243-G245 PolarHBondContact O-N 2.8Å
246I51.9Low48.2Very low144 Ų144145.5 Ų145.574%0.73878%0.777SS**  trans73.390.6154.2-45.2173.3000114.4L248I246-L248 HydrophobicContact CG2-CD2 3.75Å; I246-L248 HydrophobicContact CG2-CG 3.92Å; I246-L248 PolarHBondContact O-N 3.25Å; I246-L248 VanDerWaalsContact O-N 3.13Å
247E51.9Low49.5Very low197 Ų197142.6 Ų142.692%0.92176%0.76SS**  trans-65.8103.6149.1-78-176.7163.600107.4
248L57.7Low51.3Low140 Ų140144 Ų14473%0.73376%0.756SS**  trans-67131171.3-74.6168.7000108.1I246 I250I246-L248 HydrophobicContact CG2-CD2 3.75Å; I246-L248 HydrophobicContact CG2-CG 3.92Å; I246-L248 PolarHBondContact O-N 3.25Å; I246-L248 VanDerWaalsContact O-N 3.13Å; L248-I250 PolarHBondContact O-N 3.16Å
249P68.4Low53.6Low106 Ų106133.9 Ų133.969%0.68872%0.72SS**  trans-53.8131.7174.4-22.831.4000110M251P249-M251 PolarHBondContact O-N 2.89Å
250I59.9Low56.1Low168 Ų168127 Ų12786%0.86269%0.692SS**  trans-65.2101.2171.6-58.4173.3000106.6L248 M252L248-I250 PolarHBondContact O-N 3.16Å; I250-M252 PolarHBondContact O-N 3.44Å
251M51.6Low58.8Low173 Ų173119 Ų11985%0.85266%0.655SS**PPolyproline II helixtrans-71.1120.3174.2-66-174.472.300107.9P249 A253P249-M251 PolarHBondContact O-N 2.89Å; M251-A253 PolarHBondContact O-N 3.35Å
252M53.6Low61.5Low181 Ų181118.2 Ų118.289%0.89265%0.648SS**PPolyproline II helixtrans-55.6137.2169-75.2-175.115200109.2I250 K254I250-M252 PolarHBondContact O-N 3.44Å; M252-K254 PolarHBondContact O-N 3.4Å
253A58.1Low64Low93 Ų93115.1 Ų115.177%0.76963%0.632SS**PPolyproline II helixtrans-55.8128.3172.400000108.3M251 E255M251-A253 PolarHBondContact O-N 3.35Å; A253-E255 PolarHBondContact O-N 3.06Å
254K56.3Low66.4Low184 Ų184110.7 Ų110.780%0.862%0.617SS**  trans-67.8102.2178-174.8179.9179.4-177.40108.3M252 K256M252-K254 PolarHBondContact O-N 3.4Å; K254-K256 PolarHBondContact O-N 2.84Å
255E55.7Low68.5Low182 Ų182104.4 Ų104.485%0.8558%0.577SS**PPolyproline II helixtrans-66.5128166.4-74.3-174.4169.800108.7A253A253-E255 PolarHBondContact O-N 3.06Å
256K58Low70.7Confident88 Ų88103.3 Ų103.338%0.38357%0.565SS.*PPolyproline II helixtrans-85.7129.3-178.8-67.7-176.9176.5-171.90109.3E201 D208 K254E201-K256 IonicContact OE1-NZ 3.15Å; E201-K256 PolarHBondContact OE1-NZ 2.85Å; E201-K256 WeakPolarHBondContact OE2-CD 3.31Å; E201-K256 IonicContact OE2-NZ 2.99Å; E201-K256 PolarHBondContact OE2-NZ 3.08Å; D208-K256 IonicContact OD2-NZ 2.96Å; D208-K256 PolarHBondContact OD2-NZ 3.46Å; K254-K256 PolarHBondContact O-N 2.84Å
257P60.4Low72.8Confident55 Ų5598.7 Ų98.736%0.35755%0.553SS.*PPolyproline II helixtrans-69.3151-179.428-33000111.2H199 G200 E201H199-P257 WeakPolarHBondContact NE2-CG 3.46Å; G200-P257 WeakPolarHBondContact CA-O 3.42Å; E201-P257 PolarHBondContact N-O 2.92Å
258P74.6Confident75Confident101 Ų10193.1 Ų93.166%0.65652%0.523SS*.PPolyproline II helixtrans-60.5156.4172.727.6-34.7000110.8T260P258-T260 PolarHBondContact O-N 2.79Å
259I79.8Confident76.9Confident33 Ų3386.6 Ų86.617%0.16949%0.489CS..PPolyproline II helixtrans-60.9128.8177.3-56.4167.6000109.4M198 H199 E201 A202 A285 I289M198-I259 HydrophobicContact CE-CG2 4.1Å; M198-I259 HydrophobicContact SD-CG2 4.41Å; H199-I259 CarbonylContact O-C 3.58Å; H199-I259 WeakPolarHBondContact O-CA 3.46Å; E201-I259 VanDerWaalsContact C-CG1 3.45Å; A202-I259 HydrophobicContact CB-CD1 3.63Å; A202-I259 VanDerWaalsContact N-CD1 3.28Å; I259-A285 HydrophobicContact CD1-CB 4.12Å; I259-I289 HydrophobicContact CB-CD1 3.45Å; I259-I289 VanDerWaalsContact CB-CD1 3.45Å; I259-I289 HydrophobicContact CD1-CD1 4.31Å; I259-I289 HydrophobicContact CG1-CD1 4.49Å; I259-I289 HydrophobicContact CG2-CD1 3.31Å
260T87.1Confident78.3Confident49 Ų4981.6 Ų81.630%0.30146%0.457SS..EExtended strand (participates in β ladder)trans-137.3155.2178.254.70000110.1M198 H199 P258M198-T260 WeakPolarHBondContact CA-O 3.39Å; H199-T260 PolarHBondContact N-O 3.47Å; H199-T260 PolarHBondContact O-N 3.03Å; H199-T260 PolarHBondContact O-OG1 3.33Å; P258-T260 PolarHBondContact O-N 2.79Å
261V91.4Very high80.2Confident6 Ų673.6 Ų73.64%0.03642%0.415CS..EExtended strand (participates in β ladder)trans-105130.1176.1178.40000109.3A196 M198 V265 I289 L290 R293A196-V261 HydrophobicContact CB-CG1 4.19Å; M198-V261 HydrophobicContact CG-CG2 4.26Å; M198-V261 HydrophobicContact SD-CG2 4.36Å; V261-V265 HydrophobicContact CG1-CG1 3.99Å; V261-I289 HydrophobicContact CG2-CG2 3.64Å; V261-L290 HydrophobicContact CG1-CD2 4.44Å; V261-L290 HydrophobicContact CG2-CD2 4.2Å; V261-R293 PolarHBondContact O-NH1 2.51Å
262V92.6Very high82.4Confident95 Ų9565.3 Ų65.358%0.57638%0.375SS*.EExtended strand (participates in β ladder)trans-104.4111.3170-177.40000107.8A196 V197A196-V262 CarbonylContact C-O 3.59Å; A196-V262 VanDerWaalsContact CA-O 3.23Å; A196-V262 WeakPolarHBondContact CA-O 3.35Å; V197-V262 PolarHBondContact N-O 3.46Å; V197-V262 PolarHBondContact O-N 3.12Å
263G90.8Very high84.5Confident38 Ų3856.7 Ų56.739%0.39233%0.332SS..SBendtrans132.6158.9-175.300000112.1
264D92.6Very high86.2Confident102 Ų10253 Ų5355%0.54530%0.299SS..  trans-92.2106.4178.9176.629.1000111.1I172 G266 R268I172-D264 WeakPolarHBondContact CD1-O 3.38Å; D264-G266 PolarHBondContact OD1-N 2.88Å; D264-R268 IonicContact OD2-NH2 3.2Å
265V95.8Very high88.1Confident2 Ų244.3 Ų44.31%0.01226%0.262CS..  trans-108.1-3.7-177.5-58.10000113.1I172 A196 V261 G267 R268 L290 R293I172-V265 HydrophobicContact CD1-CG1 4.27Å; I172-V265 HydrophobicContact CG2-CB 4.3Å; I172-V265 HydrophobicContact CG2-CG1 4.01Å; A196-V265 HydrophobicContact CB-CG1 3.83Å; V261-V265 HydrophobicContact CG1-CG1 3.99Å; V265-G267 PolarHBondContact O-N 3.04Å; V265-R268 PolarHBondContact O-N 3.26Å; V265-L290 HydrophobicContact CB-CD2 4.29Å; V265-L290 HydrophobicContact CG1-CD2 3.87Å; V265-L290 HydrophobicContact CG2-CD2 4.27Å; V265-R293 HydrophobicContact CG2-CB 3.47Å; V265-R293 VanDerWaalsContact CG2-CB 3.47Å
266G96.1Very high90.1Very high32 Ų3236.2 Ų36.233%0.3323%0.225SC..THydrogen-bonded Turntrans-69130.6-172.600000112.5D264 R268 R293D264-G266 PolarHBondContact OD1-N 2.88Å; G266-R268 PolarHBondContact O-N 3.05Å; G266-R293 WeakPolarHBondContact CA-O 3.26Å
267G96.1Very high91.9Very high47 Ų4732 Ų3249%0.48521%0.206SC..THydrogen-bonded Turntrans69.415.6179.100000114.4N170 V265 G294 Y296N170-G267 PolarHBondContact ND2-O 2.84Å; V265-G267 PolarHBondContact O-N 3.04Å; G267-G294 PolarHBondContact N-O 3.1Å; G267-Y296 VanDerWaalsContact O-CE1 3.32Å; G267-Y296 WeakPolarHBondContact O-CE1 3.37Å
268R97.6Very high93.5Very high81 Ų8131 Ų3131%0.30620%0.198SC..SBendtrans-117.1163.9-178.2-64.6-177.8-166.8-130.16.4112N170 I172 D264 V265 G266 A295 Y296N170-R268 WeakPolarHBondContact O-CA 3.46Å; N170-R268 VanDerWaalsContact O-CB 3.27Å; N170-R268 WeakPolarHBondContact O-CB 3.39Å; I172-R268 HydrophobicContact CG2-CB 4.21Å; D264-R268 IonicContact OD2-NH2 3.2Å; V265-R268 PolarHBondContact O-N 3.26Å; G266-R268 PolarHBondContact O-N 3.05Å; R268-A295 WeakPolarHBondContact O-CA 3.46Å; R268-Y296 VanDerWaalsContact O-CD1 3.28Å; R268-Y296 WeakPolarHBondContact O-CD1 3.47Å; R268-Y296 PolarHBondContact O-N 3.11Å; R268-Y296 VanDerWaalsContact O-N 3.16Å
269I98.4Very high94.1Very high3 Ų330.6 Ų30.62%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-79.6127.8164.8-56.1-178.3000107.6I165 P166 N170 A171 I172 I271 Y296 K297 Y299I165-I269 HydrophobicContact CG2-CD1 4.21Å; P166-I269 WeakPolarHBondContact O-CD1 3.25Å; N170-I269 PolarHBondContact O-N 2.94Å; A171-I269 CarbonylContact C-O 3.55Å; A171-I269 WeakPolarHBondContact CA-O 3.48Å; A171-I269 HydrophobicContact CB-CB 3.81Å; A171-I269 HydrophobicContact CB-CG2 4.22Å; A171-I269 WeakPolarHBondContact CB-O 3.26Å; I172-I269 PolarHBondContact N-O 3.45Å; I269-I271 HydrophobicContact CG2-CG1 4.14Å; I269-Y296 HydrophobicContact CG1-CE1 4Å; I269-Y296 HydrophobicContact CG1-CE2 3.94Å; I269-Y296 VanDerWaalsContact CG1-CZ 3.44Å; I269-Y296 WeakPolarHBondContact CG1-OH 3.34Å; I269-K297 HydrophobicContact CB-CB 4.42Å; I269-K297 HydrophobicContact CG1-CB 4.16Å; I269-K297 HydrophobicContact CG2-CB 4.01Å; I269-Y299 HydrophobicContact CG2-CD2 3.46Å; I269-Y299 VanDerWaalsContact CG2-CD2 3.46Å; I269-Y299 HydrophobicContact CG2-CE2 3.49Å; I269-Y299 VanDerWaalsContact CG2-CE2 3.49Å
270A98.3Very high94.8Very high0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-96.4125173.200000110.2V174 L290 A295 K297 I298 Y299V174-A270 HydrophobicContact CG2-CB 3.96Å; A270-L290 HydrophobicContact CB-CB 4.47Å; A270-L290 HydrophobicContact CB-CD1 3.93Å; A270-L290 HydrophobicContact CB-CD2 4.25Å; A270-L290 HydrophobicContact CB-CG 4.45Å; A270-A295 HydrophobicContact CB-CB 3.91Å; A270-K297 PolarHBondContact N-O 3.46Å; A270-I298 CarbonylContact O-C 3.54Å; A270-I298 WeakPolarHBondContact O-CA 3.35Å; A270-Y299 PolarHBondContact O-N 2.57Å
271I98.5Very high95Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-115.2102.4176.2-54.1176.3000108.2I161 I165 A171 I172 I173 V174 I269 V273 Y299 M301I161-I271 HydrophobicContact CD1-CG2 4.32Å; I161-I271 HydrophobicContact CG1-CD1 4.47Å; I161-I271 HydrophobicContact CG2-CD1 3.9Å; I165-I271 HydrophobicContact CD1-CD1 3.96Å; I165-I271 HydrophobicContact CD1-CG1 4.46Å; A171-I271 HydrophobicContact CB-CD1 3.69Å; A171-I271 HydrophobicContact CB-CG1 4.08Å; I172-I271 PolarHBondContact O-N 2.82Å; I173-I271 CarbonylContact C-O 3.51Å; I173-I271 WeakPolarHBondContact CA-O 3.39Å; I173-I271 HydrophobicContact CD1-CB 3.96Å; I173-I271 HydrophobicContact CD1-CD1 4.2Å; I173-I271 HydrophobicContact CD1-CG2 4.33Å; V174-I271 PolarHBondContact N-O 3.45Å; I269-I271 HydrophobicContact CG2-CG1 4.14Å; I271-V273 HydrophobicContact CG2-CG2 4.3Å; I271-Y299 CarbonylContact C-O 3.58Å; I271-Y299 WeakPolarHBondContact CA-O 3.26Å; I271-Y299 HydrophobicContact CG1-CD2 4.49Å; I271-M301 HydrophobicContact CG2-CE 4.31Å; I271-M301 HydrophobicContact CG2-CG 3.57Å
272I98.2Very high94.9Very high0 Ų036.3 Ų36.30%022%0.215CC..EExtended strand (participates in β ladder)trans-75.6127.7175.4-58.3168.1000108.7V174 K176 F283 A286 L290 I298 Y299 I300 M301V174-I272 HydrophobicContact CB-CG1 4.08Å; V174-I272 HydrophobicContact CG1-CG1 4.35Å; V174-I272 VanDerWaalsContact O-CA 3.31Å; V174-I272 WeakPolarHBondContact O-CA 3.19Å; K176-I272 HydrophobicContact CB-CG2 4.16Å; I272-F283 HydrophobicContact CG2-CD1 4.14Å; I272-F283 HydrophobicContact CG2-CE1 4.09Å; I272-A286 HydrophobicContact CD1-CB 3.91Å; I272-L290 HydrophobicContact CD1-CD1 3.79Å; I272-L290 HydrophobicContact CG1-CD1 3.88Å; I272-I298 HydrophobicContact CD1-CG2 4.22Å; I272-Y299 PolarHBondContact N-O 3.29Å; I272-I300 HydrophobicContact CB-CG1 4.26Å; I272-I300 HydrophobicContact CD1-CG1 4.25Å; I272-I300 CarbonylContact O-C 3.54Å; I272-I300 WeakPolarHBondContact O-CA 3.06Å; I272-M301 PolarHBondContact O-N 3.38Å
273V97.3Very high95Very high0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-116.9125.4178.2-179.50000110.1I173 V174 R183 Y187 I271 M301I173-V273 HydrophobicContact CG2-CB 4.37Å; I173-V273 HydrophobicContact CG2-CG2 3.7Å; V174-V273 PolarHBondContact O-N 3.13Å; R183-V273 HydrophobicContact CG-CG1 4.03Å; Y187-V273 HydrophobicContact CD1-CG1 4.21Å; Y187-V273 HydrophobicContact CD1-CG2 3.93Å; Y187-V273 HydrophobicContact CD2-CG1 3.88Å; Y187-V273 HydrophobicContact CE1-CG1 4.14Å; Y187-V273 HydrophobicContact CE1-CG2 4.37Å; Y187-V273 HydrophobicContact CE2-CG1 3.78Å; Y187-V273 HydrophobicContact CG-CG1 4.08Å; Y187-V273 HydrophobicContact CG-CG2 4.12Å; I271-V273 HydrophobicContact CG2-CG2 4.3Å; V273-M301 WeakPolarHBondContact CA-O 3.43Å; V273-M301 HydrophobicContact CG2-CB 4.24Å
274D95.7Very high95.2Very high14 Ų1431.7 Ų31.78%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-139.8172.5173.1-141.2-31.8000111.1K176 R183 F283 M301 A302K176-D274 VanDerWaalsContact CE-OD2 3.24Å; K176-D274 WeakPolarHBondContact CE-OD2 3.44Å; R183-D274 IonicContact CZ-OD1 2.97Å; R183-D274 IonicContact NH1-OD1 3.71Å; R183-D274 PolarHBondContact NH1-OD1 3.25Å; D274-F283 HydrophobicContact CB-CE1 4Å; D274-F283 HydrophobicContact CB-CZ 3.81Å; D274-M301 PolarHBondContact N-O 2.99Å; D274-A302 VanDerWaalsContact O-CA 3.29Å; D274-A302 WeakPolarHBondContact O-CA 3.46Å
275D95.7Very high95.2Very high3 Ų328.1 Ų28.12%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-87.8-36.9174.654.2-62.9000112.1H136 R183 T303 H304H136-D275 WeakPolarHBondContact CA-OD2 3.4Å; H136-D275 IonicContact CE1-OD1 2.62Å; H136-D275 IonicContact CE1-OD2 2.82Å; H136-D275 IonicContact CG-OD2 3.03Å; H136-D275 IonicContact ND1-OD1 2.62Å; H136-D275 PolarHBondContact ND1-OD1 2.93Å; H136-D275 IonicContact ND1-OD2 3.65Å; H136-D275 PolarHBondContact ND1-OD2 3.04Å; R183-D275 VanDerWaalsContact CZ-CB 3.41Å; R183-D275 IonicContact CZ-OD1 3.13Å; R183-D275 IonicContact NH1-OD1 3.18Å; R183-D275 PolarHBondContact NH1-OD1 3.01Å; R183-D275 VanDerWaalsContact NH2-CB 3.3Å; R183-D275 IonicContact NH2-OD1 2.93Å; R183-D275 PolarHBondContact NH2-OD1 3.12Å; R183-D275 IonicContact NH2-OD2 3.91Å; D275-T303 PolarHBondContact O-N 2.83Å; D275-T303 VanDerWaalsContact O-N 3.11Å; D275-H304 PolarHBondContact O-CD2 2.81Å; D275-H304 PolarHBondContact O-N 3.05Å
276I96.6Very high95.2Very high12 Ų1228 Ų286%0.06216%0.163CC..EExtended strand (participates in β ladder)trans-132.1131.8-173.3-63162000109.3Y98 K103 H136 D278 H304 L306Y98-I276 HydrophobicContact CE2-CD1 3.93Å; Y98-I276 HydrophobicContact CE2-CG1 4.27Å; K103-I276 HydrophobicContact CD-CD1 4.24Å; K103-I276 HydrophobicContact CG-CD1 3.99Å; H136-I276 HydrophobicContact CB-CD1 4.26Å; I276-D278 HydrophobicContact CG2-CB 3.95Å; I276-H304 WeakPolarHBondContact CA-O 3.24Å; I276-H304 HydrophobicContact CB-CB 4.47Å; I276-H304 HydrophobicContact CG1-CB 3.94Å; I276-L306 HydrophobicContact CG2-CD1 4.01Å
277I95.9Very high95.2Very high0 Ų026.5 Ų26.50%015%0.147CC..EExtended strand (participates in β ladder)trans-111.2118.2162.4-172.4173.4000108.7V280 F283 I300 A302 H304 L306 L307 I315 V323 V325I277-V280 HydrophobicContact CD1-CG1 3.87Å; I277-V280 HydrophobicContact CG1-CG1 3.77Å; I277-F283 HydrophobicContact CB-CE2 4.4Å; I277-F283 HydrophobicContact CB-CZ 4.39Å; I277-F283 HydrophobicContact CG1-CD2 4.25Å; I277-F283 HydrophobicContact CG1-CE2 4.07Å; I277-F283 HydrophobicContact CG1-CZ 4.42Å; I277-I300 HydrophobicContact CD1-CG2 4.35Å; I277-A302 HydrophobicContact CB-CB 4.23Å; I277-A302 HydrophobicContact CG2-CB 4.06Å; I277-H304 PolarHBondContact N-O 3.15Å; I277-L306 PolarHBondContact O-N 3.24Å; I277-L307 HydrophobicContact CD1-CD2 3.96Å; I277-L307 HydrophobicContact CG1-CD2 4.09Å; I277-L307 HydrophobicContact CG2-CD2 3.96Å; I277-L307 HydrophobicContact CG2-CG 4.25Å; I277-L307 PolarHBondContact O-N 3.26Å; I277-L307 VanDerWaalsContact O-N 3.09Å; I277-I315 HydrophobicContact CD1-CD1 4.2Å; I277-V323 HydrophobicContact CD1-CG1 3.86Å; I277-V325 HydrophobicContact CG2-CG1 3.53Å
278D93.8Very high95.1Very high34 Ų3428 Ų2818%0.18214%0.141CC..SBendtrans-132.9-79.7-171.5173.624.2000108.8K103 I276 L306 S308K103-D278 IonicContact NZ-OD2 2.65Å; K103-D278 PolarHBondContact NZ-OD2 2.93Å; I276-D278 HydrophobicContact CG2-CB 3.95Å; D278-L306 HydrophobicContact CB-CB 4.02Å; D278-L306 HydrophobicContact CB-CD2 4.22Å; D278-S308 PolarHBondContact O-N 2.95Å; D278-S308 PolarHBondContact O-OG 3.47Å; D278-S308 VanDerWaalsContact OD1-CB 3.24Å; D278-S308 WeakPolarHBondContact OD1-CB 3.2Å; D278-S308 PolarHBondContact OD1-OG 3.49Å
279D88.3Confident95Very high92 Ų9225.5 Ų25.549%0.49213%0.134SC..  trans-81.5140.2158.7-169.8-10.8000109E281D279-E281 PolarHBondContact OD1-N 3.35Å; D279-E281 VanDerWaalsContact OD1-N 3.1Å
280V93.4Very high94.9Very high1 Ų125.3 Ų25.31%0.00613%0.133CC..  trans-113.1-6.5-172.5-59.20000113.5I277 D282 F283 V284 A311 L314 I315I277-V280 HydrophobicContact CD1-CG1 3.87Å; I277-V280 HydrophobicContact CG1-CG1 3.77Å; V280-D282 VanDerWaalsContact C-N 3.31Å; V280-D282 PolarHBondContact O-N 2.98Å; V280-F283 CarbonylContact O-C 3.53Å; V280-F283 WeakPolarHBondContact O-CA 3.46Å; V280-F283 WeakPolarHBondContact O-CB 3.1Å; V280-F283 PolarHBondContact O-N 3.05Å; V280-V284 WeakPolarHBondContact O-CG2 3.24Å; V280-V284 PolarHBondContact O-N 2.63Å; V280-A311 HydrophobicContact CB-CB 4.36Å; V280-A311 HydrophobicContact CG1-CB 3.51Å; V280-A311 HydrophobicContact CG2-CB 3.9Å; V280-L314 HydrophobicContact CG2-CB 3.65Å; V280-L314 HydrophobicContact CG2-CD1 3.72Å; V280-L314 HydrophobicContact CG2-CG 4.33Å; V280-I315 HydrophobicContact CB-CG1 4.41Å; V280-I315 HydrophobicContact CG1-CD1 3.99Å; V280-I315 HydrophobicContact CG1-CG1 4.16Å
281E91.4Very high94.9Very high131 Ų13129.6 Ų29.661%0.61215%0.152SC*.Hα-helixtrans-55.1-46.7-177.7-70.3-176.4177.400112D279 F283 V284 A285 L314D279-E281 PolarHBondContact OD1-N 3.35Å; D279-E281 VanDerWaalsContact OD1-N 3.1Å; E281-F283 VanDerWaalsContact C-N 3.28Å; E281-F283 PolarHBondContact O-N 3.25Å; E281-V284 PolarHBondContact O-N 2.92Å; E281-A285 WeakPolarHBondContact O-CB 3.4Å; E281-A285 PolarHBondContact O-N 2.92Å; E281-L314 HydrophobicContact CG-CD1 4.42Å
282D90Very high94.7Very high76 Ų7637.3 Ų37.341%0.40619%0.187SC..Hα-helixtrans-60.1-36.5174.6-78.9-13.4000113.1K176 V280 A286K176-D282 HydrophobicContact CD-CB 4.06Å; K176-D282 IonicContact NZ-OD2 3.92Å; K176-D282 PolarHBondContact NZ-OD2 3.09Å; V280-D282 VanDerWaalsContact C-N 3.31Å; V280-D282 PolarHBondContact O-N 2.98Å; D282-A286 VanDerWaalsContact O-CB 3.28Å; D282-A286 WeakPolarHBondContact O-CB 3.15Å; D282-A286 PolarHBondContact O-N 3.38Å
283F94.5Very high94.6Very high4 Ų442.9 Ų42.92%0.01821%0.209CC..Hα-helixtrans-73.4-36.1179.8-73.9-89.7000111.3K176 I272 D274 I277 V280 E281 A286 A287 I300K176-F283 HydrophobicContact CD-CD1 3.77Å; K176-F283 HydrophobicContact CD-CD2 3.79Å; K176-F283 HydrophobicContact CD-CE1 3.66Å; K176-F283 HydrophobicContact CD-CE2 3.67Å; K176-F283 HydrophobicContact CD-CG 3.86Å; K176-F283 HydrophobicContact CD-CZ 3.61Å; I272-F283 HydrophobicContact CG2-CD1 4.14Å; I272-F283 HydrophobicContact CG2-CE1 4.09Å; D274-F283 HydrophobicContact CB-CE1 4Å; D274-F283 HydrophobicContact CB-CZ 3.81Å; I277-F283 HydrophobicContact CB-CE2 4.4Å; I277-F283 HydrophobicContact CB-CZ 4.39Å; I277-F283 HydrophobicContact CG1-CD2 4.25Å; I277-F283 HydrophobicContact CG1-CE2 4.07Å; I277-F283 HydrophobicContact CG1-CZ 4.42Å; V280-F283 CarbonylContact O-C 3.53Å; V280-F283 WeakPolarHBondContact O-CA 3.46Å; V280-F283 WeakPolarHBondContact O-CB 3.1Å; V280-F283 PolarHBondContact O-N 3.05Å; E281-F283 VanDerWaalsContact C-N 3.28Å; E281-F283 PolarHBondContact O-N 3.25Å; F283-A286 WeakPolarHBondContact O-CB 3.27Å; F283-A286 PolarHBondContact O-N 3.44Å; F283-A287 WeakPolarHBondContact O-CB 3.48Å; F283-A287 PolarHBondContact O-N 2.85Å; F283-I300 HydrophobicContact CB-CD1 3.84Å; F283-I300 HydrophobicContact CD1-CD1 3.73Å; F283-I300 HydrophobicContact CD1-CG1 4.31Å; F283-I300 HydrophobicContact CD1-CG2 3.97Å; F283-I300 HydrophobicContact CE1-CG2 3.89Å; F283-I300 HydrophobicContact CG-CD1 4.13Å
284V95.6Very high94.5Very high32 Ų3244.7 Ų44.719%0.19423%0.227CC..Hα-helixtrans-67.2-48.3173.9173.10000109.9V280 E281 A286 A287 E288 L314 I320V280-V284 WeakPolarHBondContact O-CG2 3.24Å; V280-V284 PolarHBondContact O-N 2.63Å; E281-V284 PolarHBondContact O-N 2.92Å; V284-A286 VanDerWaalsContact C-N 3.27Å; V284-A286 PolarHBondContact O-N 2.8Å; V284-A287 WeakPolarHBondContact O-CB 3.46Å; V284-A287 PolarHBondContact O-N 3.49Å; V284-E288 PolarHBondContact O-N 2.78Å; V284-L314 HydrophobicContact CG2-CB 4.45Å; V284-I320 HydrophobicContact CG2-CD1 4.22Å
285A93.1Very high94.6Very high27 Ų2744 Ų4422%0.22322%0.224CC..Hα-helixtrans-58.8-39.6175.400000112.1I259 E281 A287 I289I259-A285 HydrophobicContact CD1-CB 4.12Å; E281-A285 WeakPolarHBondContact O-CB 3.4Å; E281-A285 PolarHBondContact O-N 2.92Å; A285-A287 VanDerWaalsContact C-N 3.34Å; A285-I289 WeakPolarHBondContact O-CD1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.39Å; A285-I289 PolarHBondContact O-N 3.37Å
286A94.1Very high94.7Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-57.6-47.7172.200000112M198 I272 D282 F283 V284 I289 L290M198-A286 HydrophobicContact CE-CB 3.17Å; M198-A286 VanDerWaalsContact SD-CA 3.54Å; M198-A286 HydrophobicContact SD-CB 3.42Å; M198-A286 WeakPolarHBondContact SD-CB 3.33Å; I272-A286 HydrophobicContact CD1-CB 3.91Å; D282-A286 VanDerWaalsContact O-CB 3.28Å; D282-A286 WeakPolarHBondContact O-CB 3.15Å; D282-A286 PolarHBondContact O-N 3.38Å; F283-A286 WeakPolarHBondContact O-CB 3.27Å; F283-A286 PolarHBondContact O-N 3.44Å; V284-A286 VanDerWaalsContact C-N 3.27Å; V284-A286 PolarHBondContact O-N 2.8Å; A286-I289 PolarHBondContact O-N 3.26Å; A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 WeakPolarHBondContact O-CD1 3.13Å; A286-L290 WeakPolarHBondContact O-CG 3.46Å; A286-L290 PolarHBondContact O-N 3.02Å
287A96.4Very high94.8Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-63.3-44.5-177.200000111.9F283 V284 A285 I289 L290 K291 I298 A319 I320F283-A287 WeakPolarHBondContact O-CB 3.48Å; F283-A287 PolarHBondContact O-N 2.85Å; V284-A287 WeakPolarHBondContact O-CB 3.46Å; V284-A287 PolarHBondContact O-N 3.49Å; A285-A287 VanDerWaalsContact C-N 3.34Å; A287-I289 PolarHBondContact O-N 3.23Å; A287-L290 PolarHBondContact O-N 3.33Å; A287-K291 WeakPolarHBondContact O-CB 3.15Å; A287-K291 PolarHBondContact O-N 3.47Å; A287-I298 HydrophobicContact CB-CD1 3.91Å; A287-I298 HydrophobicContact CB-CG2 4.02Å; A287-I298 WeakPolarHBondContact O-CD1 3.43Å; A287-A319 HydrophobicContact CB-CB 4.5Å; A287-I320 HydrophobicContact CB-CD1 4.38Å; A287-I320 HydrophobicContact CB-CG1 3.57Å
288E95.6Very high94.9Very high78 Ų7851.7 Ų51.736%0.36425%0.254SS..Hα-helixtrans-60.7-44.8178.1-63.1-50.5140.800111.8V284 L290 K291 E292 A319V284-E288 PolarHBondContact O-N 2.78Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 3.01Å; E288-K291 WeakPolarHBondContact O-CB 3.32Å; E288-K291 PolarHBondContact O-N 2.89Å; E288-K291 VanDerWaalsContact O-N 3.12Å; E288-E292 WeakPolarHBondContact O-CG 3.08Å; E288-E292 PolarHBondContact O-N 3.35Å; E288-A319 WeakPolarHBondContact OE1-CB 3.5Å; E288-A319 PolarHBondContact OE1-N 3.07Å; E288-A319 VanDerWaalsContact OE1-N 3.14Å
289I95.1Very high95.1Very high28 Ų2850.9 Ų50.914%0.14425%0.249CC..Hα-helixtrans-65.9-39.1178.9-63.6167.4000111.3I259 V261 A285 A286 A287 K291 E292 R293I259-I289 HydrophobicContact CB-CD1 3.45Å; I259-I289 VanDerWaalsContact CB-CD1 3.45Å; I259-I289 HydrophobicContact CD1-CD1 4.31Å; I259-I289 HydrophobicContact CG1-CD1 4.49Å; I259-I289 HydrophobicContact CG2-CD1 3.31Å; V261-I289 HydrophobicContact CG2-CG2 3.64Å; A285-I289 WeakPolarHBondContact O-CD1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.39Å; A285-I289 PolarHBondContact O-N 3.37Å; A286-I289 PolarHBondContact O-N 3.26Å; A287-I289 PolarHBondContact O-N 3.23Å; I289-K291 VanDerWaalsContact C-N 3.29Å; I289-K291 PolarHBondContact O-N 2.94Å; I289-E292 PolarHBondContact O-N 3.21Å; I289-R293 WeakPolarHBondContact O-CG 3.28Å; I289-R293 PolarHBondContact O-N 3.29Å
290L96.7Very high95.6Very high0 Ų046.5 Ų46.50%023%0.226CC..Hα-helixtrans-62.5-39.7174.4-70.8167000111V174 V261 V265 A270 I272 A286 A287 E288 R293 G294 A295 I298V174-L290 HydrophobicContact CG1-CD1 4.27Å; V174-L290 HydrophobicContact CG1-CD2 4.2Å; V174-L290 HydrophobicContact CG2-CD1 4.35Å; V174-L290 HydrophobicContact CG2-CD2 4.06Å; V261-L290 HydrophobicContact CG1-CD2 4.44Å; V261-L290 HydrophobicContact CG2-CD2 4.2Å; V265-L290 HydrophobicContact CB-CD2 4.29Å; V265-L290 HydrophobicContact CG1-CD2 3.87Å; V265-L290 HydrophobicContact CG2-CD2 4.27Å; A270-L290 HydrophobicContact CB-CB 4.47Å; A270-L290 HydrophobicContact CB-CD1 3.93Å; A270-L290 HydrophobicContact CB-CD2 4.25Å; A270-L290 HydrophobicContact CB-CG 4.45Å; I272-L290 HydrophobicContact CD1-CD1 3.79Å; I272-L290 HydrophobicContact CG1-CD1 3.88Å; A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 WeakPolarHBondContact O-CD1 3.13Å; A286-L290 WeakPolarHBondContact O-CG 3.46Å; A286-L290 PolarHBondContact O-N 3.02Å; A287-L290 PolarHBondContact O-N 3.33Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 3.01Å; L290-R293 CarbonylContact O-C 3.55Å; L290-R293 PolarHBondContact O-N 3.41Å; L290-G294 PolarHBondContact O-N 2.85Å; L290-A295 HydrophobicContact CB-CB 4.13Å; L290-A295 WeakPolarHBondContact O-CB 3.36Å; L290-A295 PolarHBondContact O-N 3.16Å; L290-I298 HydrophobicContact CB-CD1 4.11Å
291K96.6Very high95.8Very high90 Ų9046.5 Ų46.539%0.39123%0.225SC..Hα-helixtrans-64.7-46.3176.9-16462.9164.6-162.50111.7A287 E288 I289 R293 G294 A295 Y296 I298 A319A287-K291 WeakPolarHBondContact O-CB 3.15Å; A287-K291 PolarHBondContact O-N 3.47Å; E288-K291 WeakPolarHBondContact O-CB 3.32Å; E288-K291 PolarHBondContact O-N 2.89Å; E288-K291 VanDerWaalsContact O-N 3.12Å; I289-K291 VanDerWaalsContact C-N 3.29Å; I289-K291 PolarHBondContact O-N 2.94Å; K291-R293 PolarHBondContact O-N 3.14Å; K291-G294 PolarHBondContact O-N 3.19Å; K291-A295 VanDerWaalsContact CD-O 3.23Å; K291-A295 WeakPolarHBondContact CD-O 3.48Å; K291-Y296 PolarHBondContact NZ-O 2.78Å; K291-I298 HydrophobicContact CB-CD1 4.19Å; K291-A319 HydrophobicContact CB-CB 4.49Å
292E95.4Very high96.1Very high161 Ų16140.2 Ų40.275%0.75220%0.196SC*.Hα-helixtrans-58.7-34.9175-73.6177.6177.700112.3E288 I289 G294E288-E292 WeakPolarHBondContact O-CG 3.08Å; E288-E292 PolarHBondContact O-N 3.35Å; I289-E292 PolarHBondContact O-N 3.21Å; E292-G294 PolarHBondContact O-N 3.48Å
293R95.4Very high96.5Very high118 Ų11836.8 Ų36.845%0.44518%0.178SC..THydrogen-bonded Turntrans-83.19175.3-65.5-144.5-177.4-1754.7114.4V261 V265 G266 I289 L290 K291V261-R293 PolarHBondContact O-NH1 2.51Å; V265-R293 HydrophobicContact CG2-CB 3.47Å; V265-R293 VanDerWaalsContact CG2-CB 3.47Å; G266-R293 WeakPolarHBondContact CA-O 3.26Å; I289-R293 WeakPolarHBondContact O-CG 3.28Å; I289-R293 PolarHBondContact O-N 3.29Å; L290-R293 CarbonylContact O-C 3.55Å; L290-R293 PolarHBondContact O-N 3.41Å; K291-R293 PolarHBondContact O-N 3.14Å
294G96Very high96.7Very high37 Ų3736.7 Ų36.738%0.38118%0.177SC..THydrogen-bonded Turntrans89.614.5170.400000115.2G267 L290 K291 E292 Y296G267-G294 PolarHBondContact N-O 3.1Å; L290-G294 PolarHBondContact O-N 2.85Å; K291-G294 PolarHBondContact O-N 3.19Å; E292-G294 PolarHBondContact O-N 3.48Å; G294-Y296 PolarHBondContact O-N 2.83Å
295A97.9Very high96.8Very high1 Ų135.2 Ų35.21%0.00817%0.168CC..  trans-68.3122.3167.700000109.3R268 A270 L290 K291R268-A295 WeakPolarHBondContact O-CA 3.46Å; A270-A295 HydrophobicContact CB-CB 3.91Å; L290-A295 HydrophobicContact CB-CB 4.13Å; L290-A295 WeakPolarHBondContact O-CB 3.36Å; L290-A295 PolarHBondContact O-N 3.16Å; K291-A295 VanDerWaalsContact CD-O 3.23Å; K291-A295 WeakPolarHBondContact CD-O 3.48Å
296Y96.9Very high96.9Very high96 Ų9635.5 Ų35.538%0.37617%0.166SC..SBendtrans-88.3-22.5-172.967.5-87.9000113.1G267 R268 I269 K291 G294G267-Y296 VanDerWaalsContact O-CE1 3.32Å; G267-Y296 WeakPolarHBondContact O-CE1 3.37Å; R268-Y296 VanDerWaalsContact O-CD1 3.28Å; R268-Y296 WeakPolarHBondContact O-CD1 3.47Å; R268-Y296 PolarHBondContact O-N 3.11Å; R268-Y296 VanDerWaalsContact O-N 3.16Å; I269-Y296 HydrophobicContact CG1-CE1 4Å; I269-Y296 HydrophobicContact CG1-CE2 3.94Å; I269-Y296 VanDerWaalsContact CG1-CZ 3.44Å; I269-Y296 WeakPolarHBondContact CG1-OH 3.34Å; K291-Y296 PolarHBondContact NZ-O 2.78Å; G294-Y296 PolarHBondContact O-N 2.83Å
297K98.1Very high96.9Very high79 Ų7935.6 Ų35.634%0.34317%0.167SC..EExtended strand (participates in β ladder)trans-134.7142.8174.6-76.4-69-173.31750111.1I269 A270 Y299 D321I269-K297 HydrophobicContact CB-CB 4.42Å; I269-K297 HydrophobicContact CG1-CB 4.16Å; I269-K297 HydrophobicContact CG2-CB 4.01Å; A270-K297 PolarHBondContact N-O 3.46Å; K297-Y299 HydrophobicContact CB-CE2 3.91Å; K297-D321 VanDerWaalsContact CA-OD2 3.23Å; K297-D321 WeakPolarHBondContact CA-OD2 3.49Å; K297-D321 HydrophobicContact CD-CB 4.16Å; K297-D321 WeakPolarHBondContact CD-OD1 3.23Å; K297-D321 VanDerWaalsContact CD-OD2 3.27Å; K297-D321 WeakPolarHBondContact CD-OD2 3.41Å; K297-D321 IonicContact NZ-OD1 3.08Å; K297-D321 PolarHBondContact NZ-OD1 2.92Å
298I98.4Very high96.6Very high0 Ų037.6 Ų37.60%018%0.18CC..EExtended strand (participates in β ladder)trans-132.1117.4-176-56172.8000110.1A270 I272 A287 L290 K291 A319 D321A270-I298 CarbonylContact O-C 3.54Å; A270-I298 WeakPolarHBondContact O-CA 3.35Å; I272-I298 HydrophobicContact CD1-CG2 4.22Å; A287-I298 HydrophobicContact CB-CD1 3.91Å; A287-I298 HydrophobicContact CB-CG2 4.02Å; A287-I298 WeakPolarHBondContact O-CD1 3.43Å; L290-I298 HydrophobicContact CB-CD1 4.11Å; K291-I298 HydrophobicContact CB-CD1 4.19Å; I298-A319 HydrophobicContact CD1-CB 4.39Å; I298-D321 PolarHBondContact N-OD2 3.01Å; I298-D321 WeakPolarHBondContact O-CB 3.31Å; I298-D321 PolarHBondContact O-N 3.38Å
299Y98.6Very high96.2Very high18 Ų1837 Ų377%0.07119%0.189CC..EExtended strand (participates in β ladder)trans-113146.7176.2-64.2-99.2000110.1I165 I269 A270 I271 I272 K297 E322I165-Y299 HydrophobicContact CD1-CD1 3.6Å; I165-Y299 HydrophobicContact CD1-CD2 4.12Å; I165-Y299 HydrophobicContact CD1-CE1 3.96Å; I165-Y299 HydrophobicContact CD1-CE2 4.4Å; I165-Y299 HydrophobicContact CD1-CG 3.72Å; I165-Y299 HydrophobicContact CG1-CD1 4.02Å; I165-Y299 HydrophobicContact CG1-CE1 3.88Å; I165-Y299 HydrophobicContact CG2-CE2 4Å; I269-Y299 HydrophobicContact CG2-CD2 3.46Å; I269-Y299 VanDerWaalsContact CG2-CD2 3.46Å; I269-Y299 HydrophobicContact CG2-CE2 3.49Å; I269-Y299 VanDerWaalsContact CG2-CE2 3.49Å; A270-Y299 PolarHBondContact O-N 2.57Å; I271-Y299 CarbonylContact C-O 3.58Å; I271-Y299 WeakPolarHBondContact CA-O 3.26Å; I271-Y299 HydrophobicContact CG1-CD2 4.49Å; I272-Y299 PolarHBondContact N-O 3.29Å; K297-Y299 HydrophobicContact CB-CE2 3.91Å; Y299-E322 CarbonylContact C-O 3.58Å; Y299-E322 WeakPolarHBondContact CA-O 3.23Å; Y299-E322 HydrophobicContact CD1-CB 3.67Å; Y299-E322 HydrophobicContact CD1-CG 4.45Å; Y299-E322 HydrophobicContact CE1-CB 3.83Å
300I98.4Very high96.1Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-116.5130.8169.4-59.2175.8000109I272 I277 F283 I320 E322 V323 V324I272-I300 HydrophobicContact CB-CG1 4.26Å; I272-I300 HydrophobicContact CD1-CG1 4.25Å; I272-I300 CarbonylContact O-C 3.54Å; I272-I300 WeakPolarHBondContact O-CA 3.06Å; I277-I300 HydrophobicContact CD1-CG2 4.35Å; F283-I300 HydrophobicContact CB-CD1 3.84Å; F283-I300 HydrophobicContact CD1-CD1 3.73Å; F283-I300 HydrophobicContact CD1-CG1 4.31Å; F283-I300 HydrophobicContact CD1-CG2 3.97Å; F283-I300 HydrophobicContact CE1-CG2 3.89Å; F283-I300 HydrophobicContact CG-CD1 4.13Å; I300-I320 HydrophobicContact CD1-CD1 3.42Å; I300-I320 VanDerWaalsContact CD1-CD1 3.42Å; I300-I320 HydrophobicContact CD1-CG1 3.94Å; I300-I320 HydrophobicContact CD1-CG2 4.01Å; I300-I320 HydrophobicContact CG1-CG2 4.15Å; I300-E322 PolarHBondContact N-O 2.74Å; I300-V323 HydrophobicContact CB-CG1 4.37Å; I300-V323 HydrophobicContact CB-CG2 4.22Å; I300-V323 HydrophobicContact CD1-CG2 4.16Å; I300-V324 PolarHBondContact O-N 2.98Å
301M98.1Very high96Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-117120.8175.1-59.8-74.2161.200108.1Y160 I161 I165 I271 I272 V273 D274 V324Y160-M301 HydrophobicContact CD1-CE 4.06Å; Y160-M301 HydrophobicContact CD1-SD 4.5Å; Y160-M301 HydrophobicContact CE1-CE 4.35Å; I161-M301 HydrophobicContact CD1-CE 4.44Å; I161-M301 HydrophobicContact CD1-CG 4.19Å; I161-M301 HydrophobicContact CD1-SD 4.33Å; I161-M301 HydrophobicContact CG1-CE 3.7Å; I161-M301 HydrophobicContact CG1-CG 4.43Å; I161-M301 HydrophobicContact CG1-SD 4.03Å; I165-M301 HydrophobicContact CD1-CE 3.45Å; I165-M301 VanDerWaalsContact CD1-CE 3.45Å; I165-M301 HydrophobicContact CG1-CE 4.49Å; I271-M301 HydrophobicContact CG2-CE 4.31Å; I271-M301 HydrophobicContact CG2-CG 3.57Å; I272-M301 PolarHBondContact O-N 3.38Å; V273-M301 WeakPolarHBondContact CA-O 3.43Å; V273-M301 HydrophobicContact CG2-CB 4.24Å; D274-M301 PolarHBondContact N-O 2.99Å; M301-V324 HydrophobicContact CE-CB 4.09Å; M301-V324 HydrophobicContact CE-CG2 3.64Å; M301-V324 HydrophobicContact SD-CB 3.58Å; M301-V324 VanDerWaalsContact SD-CB 3.58Å; M301-V324 HydrophobicContact SD-CG1 4.03Å; M301-V324 HydrophobicContact SD-CG2 3.85Å
302A97.8Very high96Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-140.3148.217300000112.2D274 I277 V324 V325D274-A302 VanDerWaalsContact O-CA 3.29Å; D274-A302 WeakPolarHBondContact O-CA 3.46Å; I277-A302 HydrophobicContact CB-CB 4.23Å; I277-A302 HydrophobicContact CG2-CB 4.06Å; A302-V324 PolarHBondContact N-O 2.86Å; A302-V325 HydrophobicContact CB-CG1 4.31Å; A302-V325 VanDerWaalsContact O-CA 3.28Å; A302-V325 WeakPolarHBondContact O-CA 3.24Å
303T97.9Very high96Very high3 Ų334.4 Ų34.42%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-70.2-49.3175.1-57.20000110.3M133 D134 A153 D275 T326 T328M133-T303 HydrophobicContact CE-CG2 3.67Å; M133-T303 HydrophobicContact CG-CG2 4.35Å; D134-T303 HydrophobicContact CB-CG2 3.89Å; D134-T303 WeakPolarHBondContact OD2-CG2 3.32Å; D134-T303 PolarHBondContact OD2-OG1 2.72Å; A153-T303 HydrophobicContact CB-CG2 3.54Å; D275-T303 PolarHBondContact O-N 2.83Å; D275-T303 VanDerWaalsContact O-N 3.11Å; T303-T326 HydrophobicContact CG2-CG2 4.25Å; T303-T326 WeakPolarHBondContact O-CB 3.49Å; T303-T326 PolarHBondContact O-N 3.05Å; T303-T326 PolarHBondContact O-OG1 3.18Å; T303-T328 HydrophobicContact CG2-CG2 4.27Å; T303-T328 PolarHBondContact O-OG1 2.89Å
304H98.1Very high96.1Very high3 Ų330.9 Ų30.91%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-107.9112.8-172.8-51.5-62.7000112.1P97 Y98 M133 D134 D275 I276 I277 L306 T328P97-H304 PolarHBondContact O-CE1 3.13Å; Y98-H304 HydrophobicContact CD2-CB 3.94Å; Y98-H304 AromaticContact CD2-CD2 3.79Å; Y98-H304 AromaticContact CD2-CG 3.55Å; Y98-H304 AromaticContact CD2-ND1 3.76Å; Y98-H304 HydrophobicContact CG-CB 4.48Å; M133-H304 PolarHBondContact O-CE1 2.95Å; M133-H304 PolarHBondContact O-NE2 3.48Å; M133-H304 VanDerWaalsContact O-NE2 3.07Å; D134-H304 PolarHBondContact O-NE2 3.18Å; D275-H304 PolarHBondContact O-CD2 2.81Å; D275-H304 PolarHBondContact O-N 3.05Å; I276-H304 WeakPolarHBondContact CA-O 3.24Å; I276-H304 HydrophobicContact CB-CB 4.47Å; I276-H304 HydrophobicContact CG1-CB 3.94Å; I277-H304 PolarHBondContact N-O 3.15Å; H304-L306 HydrophobicContact CB-CD1 3.88Å; H304-L306 PolarHBondContact O-N 2.97Å; H304-T328 PolarHBondContact ND1-OG1 2.86Å
305G97.2Very high96.1Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-92.180.8173.500000112.6
306L95.9Very high96.1Very high34 Ų3432.8 Ų32.818%0.17816%0.162CC..  trans-72.9-42.5174.4-85.467.3000110.8Y98 I276 I277 D278 H304 S308 V329Y98-L306 HydrophobicContact CD1-CD1 4.09Å; Y98-L306 HydrophobicContact CD2-CD1 4.22Å; Y98-L306 HydrophobicContact CE1-CD1 3.84Å; Y98-L306 HydrophobicContact CE1-CD2 3.95Å; Y98-L306 HydrophobicContact CE1-CG 4.17Å; Y98-L306 HydrophobicContact CE2-CD1 3.98Å; Y98-L306 HydrophobicContact CG-CD1 4.28Å; I276-L306 HydrophobicContact CG2-CD1 4.01Å; I277-L306 PolarHBondContact O-N 3.24Å; D278-L306 HydrophobicContact CB-CB 4.02Å; D278-L306 HydrophobicContact CB-CD2 4.22Å; H304-L306 HydrophobicContact CB-CD1 3.88Å; H304-L306 PolarHBondContact O-N 2.97Å; L306-S308 PolarHBondContact O-N 3.18Å; L306-V329 HydrophobicContact CD1-CG2 3.91Å
307L94.6Very high96.1Very high2 Ų234.4 Ų34.41%0.0117%0.173CC..  trans4759.4171.5-61.2161.7000111.1I277 A311 I315 H331 Q334 I341I277-L307 HydrophobicContact CD1-CD2 3.96Å; I277-L307 HydrophobicContact CG1-CD2 4.09Å; I277-L307 HydrophobicContact CG2-CD2 3.96Å; I277-L307 HydrophobicContact CG2-CG 4.25Å; I277-L307 PolarHBondContact O-N 3.26Å; I277-L307 VanDerWaalsContact O-N 3.09Å; L307-A311 HydrophobicContact CB-CB 4.29Å; L307-A311 HydrophobicContact CD2-CB 4.44Å; L307-I315 HydrophobicContact CD2-CD1 3.66Å; L307-H331 HydrophobicContact CD1-CB 4.12Å; L307-Q334 HydrophobicContact CB-CB 4.35Å; L307-Q334 HydrophobicContact CB-CG 3.91Å; L307-Q334 HydrophobicContact CD1-CB 4.19Å; L307-I341 HydrophobicContact CD1-CD1 3.98Å; L307-I341 HydrophobicContact CD1-CG2 4.33Å; L307-I341 HydrophobicContact CD2-CD1 4.49Å
308S89.4Confident96Very high41 Ų4131.4 Ų31.429%0.28716%0.162SC..  trans-82.8169.9-172.569.60000111.9D278 L306 E310 A311D278-S308 PolarHBondContact O-N 2.95Å; D278-S308 PolarHBondContact O-OG 3.47Å; D278-S308 VanDerWaalsContact OD1-CB 3.24Å; D278-S308 WeakPolarHBondContact OD1-CB 3.2Å; D278-S308 PolarHBondContact OD1-OG 3.49Å; L306-S308 PolarHBondContact O-N 3.18Å; S308-E310 PolarHBondContact O-N 2.71Å; S308-A311 WeakPolarHBondContact O-CB 3.45Å; S308-A311 PolarHBondContact O-N 2.9Å
309A87.8Confident96Very high66 Ų6632.6 Ų32.655%0.54517%0.172SC..THydrogen-bonded Turntrans47.8-123.8-179.400000114R68 A311R68-A309 VanDerWaalsContact NH2-N 3.15Å; A309-A311 VanDerWaalsContact C-N 3.32Å
310E92.1Very high96Very high109 Ų10931.8 Ų31.851%0.50917%0.169SC..THydrogen-bonded Turntrans-91.412.6-176.6-64.5-62.6127.100113.1S308 P312 R313 L314S308-E310 PolarHBondContact O-N 2.71Å; E310-P312 VanDerWaalsContact C-CD 3.49Å; E310-R313 PolarHBondContact O-N 3.01Å; E310-R313 VanDerWaalsContact O-N 3.09Å; E310-R313 IonicContact OE2-NE 2.72Å; E310-R313 PolarHBondContact OE2-NE 3.16Å; E310-R313 VanDerWaalsContact OE2-NE 3.13Å; E310-L314 HydrophobicContact CB-CD1 4.4Å; E310-L314 HydrophobicContact CB-CG 4.4Å; E310-L314 PolarHBondContact O-N 3.25Å; E310-L314 VanDerWaalsContact O-N 3.09Å
311A95.1Very high96Very high3 Ų334 Ų343%0.02518%0.181CC..Hα-helixtrans-50.6-46.4-172.700000114.6V280 L307 S308 A309 R313 L314 I315V280-A311 HydrophobicContact CB-CB 4.36Å; V280-A311 HydrophobicContact CG1-CB 3.51Å; V280-A311 HydrophobicContact CG2-CB 3.9Å; L307-A311 HydrophobicContact CB-CB 4.29Å; L307-A311 HydrophobicContact CD2-CB 4.44Å; S308-A311 WeakPolarHBondContact O-CB 3.45Å; S308-A311 PolarHBondContact O-N 2.9Å; A309-A311 VanDerWaalsContact C-N 3.32Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.32Å; A311-L314 PolarHBondContact O-N 3.47Å; A311-I315 WeakPolarHBondContact O-CD1 3.24Å; A311-I315 VanDerWaalsContact O-CG1 3.26Å; A311-I315 WeakPolarHBondContact O-CG1 3.43Å; A311-I315 PolarHBondContact O-N 2.92Å
312P96Very high96Very high1 Ų135.8 Ų35.81%0.00619%0.189CC..Hα-helixtrans-62-39.9-179.5-24.437.2000112.9E310 I315 E316 Q334 Q337 C338 I341E310-P312 VanDerWaalsContact C-CD 3.49Å; P312-I315 PolarHBondContact O-N 3.14Å; P312-E316 PolarHBondContact O-N 3.29Å; P312-E316 VanDerWaalsContact O-N 3.07Å; P312-Q334 HydrophobicContact CB-CB 4.48Å; P312-Q334 HydrophobicContact CG-CB 3.6Å; P312-Q334 HydrophobicContact CG-CG 3.62Å; P312-Q337 HydrophobicContact CB-CB 3.8Å; P312-C338 HydrophobicContact CB-CB 3.83Å; P312-C338 WeakPolarHBondContact O-CB 3.35Å; P312-I341 HydrophobicContact CB-CD1 4.42Å
313R96.4Very high96Very high112 Ų11235.8 Ų35.842%0.42319%0.189SC..Hα-helixtrans-66.2-45.6179.3-172.2-177.268.175.85.8111.2E310 A311 I315 E316 E317E310-R313 PolarHBondContact O-N 3.01Å; E310-R313 VanDerWaalsContact O-N 3.09Å; E310-R313 IonicContact OE2-NE 2.72Å; E310-R313 PolarHBondContact OE2-NE 3.16Å; E310-R313 VanDerWaalsContact OE2-NE 3.13Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.32Å; R313-I315 VanDerWaalsContact C-N 3.35Å; R313-I315 PolarHBondContact O-N 2.86Å; R313-E316 PolarHBondContact O-N 3.03Å; R313-E317 WeakPolarHBondContact CG-OE1 3.39Å; R313-E317 IonicContact CZ-OE1 3.03Å; R313-E317 IonicContact CZ-OE2 3.97Å; R313-E317 IonicContact NH1-OE1 3.91Å; R313-E317 PolarHBondContact NH1-OE1 2.87Å; R313-E317 IonicContact NH1-OE2 3.49Å; R313-E317 PolarHBondContact NH1-OE2 3.32Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.24Å
314L96.8Very high96.1Very high44 Ų4435.7 Ų35.723%0.2319%0.188CC..Hα-helixtrans-64.1-38.4178.5-67.1175.8000112.2V280 E281 V284 E310 A311 S318V280-L314 HydrophobicContact CG2-CB 3.65Å; V280-L314 HydrophobicContact CG2-CD1 3.72Å; V280-L314 HydrophobicContact CG2-CG 4.33Å; E281-L314 HydrophobicContact CG-CD1 4.42Å; V284-L314 HydrophobicContact CG2-CB 4.45Å; E310-L314 HydrophobicContact CB-CD1 4.4Å; E310-L314 HydrophobicContact CB-CG 4.4Å; E310-L314 PolarHBondContact O-N 3.25Å; E310-L314 VanDerWaalsContact O-N 3.09Å; A311-L314 PolarHBondContact O-N 3.47Å; L314-S318 VanDerWaalsContact O-CB 3.26Å; L314-S318 WeakPolarHBondContact O-CB 3.39Å; L314-S318 PolarHBondContact O-N 3.32Å; L314-S318 VanDerWaalsContact O-N 3.12Å; L314-S318 PolarHBondContact O-OG 3.28Å
315I97.6Very high96.1Very high0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-62.4-44.8173.9-69.2162.9000110.5I277 V280 L307 A311 P312 R313 E317 S318 V323 K340I277-I315 HydrophobicContact CD1-CD1 4.2Å; V280-I315 HydrophobicContact CB-CG1 4.41Å; V280-I315 HydrophobicContact CG1-CD1 3.99Å; V280-I315 HydrophobicContact CG1-CG1 4.16Å; L307-I315 HydrophobicContact CD2-CD1 3.66Å; A311-I315 WeakPolarHBondContact O-CD1 3.24Å; A311-I315 VanDerWaalsContact O-CG1 3.26Å; A311-I315 WeakPolarHBondContact O-CG1 3.43Å; A311-I315 PolarHBondContact O-N 2.92Å; P312-I315 PolarHBondContact O-N 3.14Å; R313-I315 VanDerWaalsContact C-N 3.35Å; R313-I315 PolarHBondContact O-N 2.86Å; I315-E317 PolarHBondContact O-N 3.34Å; I315-S318 PolarHBondContact O-N 3.33Å; I315-S318 PolarHBondContact O-OG 3.11Å; I315-V323 HydrophobicContact CD1-CG2 4.12Å; I315-V323 HydrophobicContact CG1-CG2 4.31Å; I315-V323 HydrophobicContact CG2-CG2 3.57Å; I315-K340 HydrophobicContact CG2-CB 4.3Å; I315-K340 HydrophobicContact CG2-CD 4.22Å; I315-K340 PolarHBondContact O-NZ 2.97Å
316E96.8Very high96.1Very high78 Ų7835.5 Ų35.536%0.36419%0.187SC..Hα-helixtrans-61.6-43.7-179.5-168.662.3-162.100112.1P312 R313 S318 C338 P339 K340P312-E316 PolarHBondContact O-N 3.29Å; P312-E316 VanDerWaalsContact O-N 3.07Å; R313-E316 PolarHBondContact O-N 3.03Å; E316-S318 VanDerWaalsContact C-N 3.33Å; E316-S318 PolarHBondContact O-N 3.4Å; E316-C338 PolarHBondContact OE2-SG 2.91Å; E316-P339 WeakPolarHBondContact OE2-CD 3.43Å; E316-K340 WeakPolarHBondContact O-CE 3.4Å; E316-K340 PolarHBondContact O-NZ 3.32Å
317E96.8Very high96.2Very high130 Ų13034.7 Ų34.761%0.60718%0.183SC*.Hα-helixtrans-75.3-17.1-178.9-69.1170.8-16900113.9R313 I315R313-E317 WeakPolarHBondContact CG-OE1 3.39Å; R313-E317 IonicContact CZ-OE1 3.03Å; R313-E317 IonicContact CZ-OE2 3.97Å; R313-E317 IonicContact NH1-OE1 3.91Å; R313-E317 PolarHBondContact NH1-OE1 2.87Å; R313-E317 IonicContact NH1-OE2 3.49Å; R313-E317 PolarHBondContact NH1-OE2 3.32Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.24Å; I315-E317 PolarHBondContact O-N 3.34Å
318S97.3Very high96.3Very high15 Ų1534.6 Ų34.611%0.10518%0.183CC..SBendtrans-84.3170.3-175.472.70000115.2L314 I315 E316 I320 K340L314-S318 VanDerWaalsContact O-CB 3.26Å; L314-S318 WeakPolarHBondContact O-CB 3.39Å; L314-S318 PolarHBondContact O-N 3.32Å; L314-S318 VanDerWaalsContact O-N 3.12Å; L314-S318 PolarHBondContact O-OG 3.28Å; I315-S318 PolarHBondContact O-N 3.33Å; I315-S318 PolarHBondContact O-OG 3.11Å; E316-S318 VanDerWaalsContact C-N 3.33Å; E316-S318 PolarHBondContact O-N 3.4Å; S318-I320 PolarHBondContact O-N 3.24Å; S318-I320 VanDerWaalsContact O-N 3.16Å; S318-I320 WeakPolarHBondContact OG-CB 3.49Å; S318-I320 WeakPolarHBondContact OG-CD1 3.43Å; S318-I320 WeakPolarHBondContact OG-CG1 3.47Å; S318-I320 PolarHBondContact OG-N 3.1Å; S318-K340 PolarHBondContact O-NZ 3.42Å
319A97Very high96.7Very high26 Ų2633 Ų3322%0.21517%0.171CC..SBendtrans-66.8-2.2170.200000115.6A287 E288 K291 I298A287-A319 HydrophobicContact CB-CB 4.5Å; E288-A319 WeakPolarHBondContact OE1-CB 3.5Å; E288-A319 PolarHBondContact OE1-N 3.07Å; E288-A319 VanDerWaalsContact OE1-N 3.14Å; K291-A319 HydrophobicContact CB-CB 4.49Å; I298-A319 HydrophobicContact CD1-CB 4.39Å
320I98.4Very high97Very high1 Ų131.5 Ų31.51%0.00516%0.156CC..  trans-68.3130.4176.9-59.5160.2000109.1V284 A287 I300 S318 V323 K340V284-I320 HydrophobicContact CG2-CD1 4.22Å; A287-I320 HydrophobicContact CB-CD1 4.38Å; A287-I320 HydrophobicContact CB-CG1 3.57Å; I300-I320 HydrophobicContact CD1-CD1 3.42Å; I300-I320 VanDerWaalsContact CD1-CD1 3.42Å; I300-I320 HydrophobicContact CD1-CG1 3.94Å; I300-I320 HydrophobicContact CD1-CG2 4.01Å; I300-I320 HydrophobicContact CG1-CG2 4.15Å; S318-I320 PolarHBondContact O-N 3.24Å; S318-I320 VanDerWaalsContact O-N 3.16Å; S318-I320 WeakPolarHBondContact OG-CB 3.49Å; S318-I320 WeakPolarHBondContact OG-CD1 3.43Å; S318-I320 WeakPolarHBondContact OG-CG1 3.47Å; S318-I320 PolarHBondContact OG-N 3.1Å; I320-V323 HydrophobicContact CG2-CG2 3.71Å; I320-K340 WeakPolarHBondContact O-CD 3.4Å; I320-K340 WeakPolarHBondContact O-CE 3.4Å; I320-K340 PolarHBondContact O-NZ 3.4Å
321D98.3Very high97.1Very high47 Ų4726.3 Ų26.325%0.25113%0.132SC..  trans-85.3-42178.3-68.6-89.7000111.9K297 I298K297-D321 VanDerWaalsContact CA-OD2 3.23Å; K297-D321 WeakPolarHBondContact CA-OD2 3.49Å; K297-D321 HydrophobicContact CD-CB 4.16Å; K297-D321 WeakPolarHBondContact CD-OD1 3.23Å; K297-D321 VanDerWaalsContact CD-OD2 3.27Å; K297-D321 WeakPolarHBondContact CD-OD2 3.41Å; K297-D321 IonicContact NZ-OD1 3.08Å; K297-D321 PolarHBondContact NZ-OD1 2.92Å; I298-D321 PolarHBondContact N-OD2 3.01Å; I298-D321 WeakPolarHBondContact O-CB 3.31Å; I298-D321 PolarHBondContact O-N 3.38Å
322E98.5Very high97Very high37 Ų3731.1 Ų31.117%0.17315%0.153CC..EExtended strand (participates in β ladder)trans-153.1141.1-176.8-169.3171.3103.900112Y160 Y299 I300 V324 K340 K342Y160-E322 WeakPolarHBondContact CE1-OE1 3.37Å; Y160-E322 PolarHBondContact OH-OE1 3.36Å; Y299-E322 CarbonylContact C-O 3.58Å; Y299-E322 WeakPolarHBondContact CA-O 3.23Å; Y299-E322 HydrophobicContact CD1-CB 3.67Å; Y299-E322 HydrophobicContact CD1-CG 4.45Å; Y299-E322 HydrophobicContact CE1-CB 3.83Å; I300-E322 PolarHBondContact N-O 2.74Å; E322-V324 HydrophobicContact CG-CG2 4.13Å; E322-V324 WeakPolarHBondContact OE1-CG2 3.1Å; E322-K340 WeakPolarHBondContact CG-O 3.37Å; E322-K342 VanDerWaalsContact CD-CG 3.46Å; E322-K342 HydrophobicContact CG-CG 3.7Å
323V98.6Very high96.8Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-119.2115.8175.9179.10000108.8I277 I300 I315 I320 V325 K340 I341 K342I277-V323 HydrophobicContact CD1-CG1 3.86Å; I300-V323 HydrophobicContact CB-CG1 4.37Å; I300-V323 HydrophobicContact CB-CG2 4.22Å; I300-V323 HydrophobicContact CD1-CG2 4.16Å; I315-V323 HydrophobicContact CD1-CG2 4.12Å; I315-V323 HydrophobicContact CG1-CG2 4.31Å; I315-V323 HydrophobicContact CG2-CG2 3.57Å; I320-V323 HydrophobicContact CG2-CG2 3.71Å; V323-V325 HydrophobicContact CG1-CG1 4.18Å; V323-K340 PolarHBondContact N-O 3.32Å; V323-I341 HydrophobicContact CB-CG1 4.45Å; V323-I341 CarbonylContact O-C 3.57Å; V323-I341 WeakPolarHBondContact O-CA 3.5Å; V323-K342 PolarHBondContact O-N 3.14Å
324V98.6Very high96.7Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-108.5115.9-177.4-172.30000108.9L157 Y160 I300 M301 A302 E322 K342 V344L157-V324 HydrophobicContact CD2-CG1 4.08Å; Y160-V324 HydrophobicContact CD1-CB 4.5Å; Y160-V324 HydrophobicContact CD1-CG1 3.91Å; Y160-V324 HydrophobicContact CD1-CG2 3.93Å; Y160-V324 HydrophobicContact CD2-CG1 4.23Å; Y160-V324 HydrophobicContact CE1-CB 4.3Å; Y160-V324 HydrophobicContact CE1-CG1 3.96Å; Y160-V324 HydrophobicContact CE1-CG2 3.36Å; Y160-V324 HydrophobicContact CE2-CG1 4.24Å; Y160-V324 HydrophobicContact CG-CG1 4.05Å; I300-V324 PolarHBondContact O-N 2.98Å; M301-V324 HydrophobicContact CE-CB 4.09Å; M301-V324 HydrophobicContact CE-CG2 3.64Å; M301-V324 HydrophobicContact SD-CB 3.58Å; M301-V324 VanDerWaalsContact SD-CB 3.58Å; M301-V324 HydrophobicContact SD-CG1 4.03Å; M301-V324 HydrophobicContact SD-CG2 3.85Å; A302-V324 PolarHBondContact N-O 2.86Å; E322-V324 HydrophobicContact CG-CG2 4.13Å; E322-V324 WeakPolarHBondContact OE1-CG2 3.1Å; V324-K342 HydrophobicContact CG2-CB 4.36Å; V324-V344 HydrophobicContact CG1-CG2 3.65Å
325V98.4Very high96.6Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-123.9160.6177.6-66.50000111.4I277 A302 V323 I341 K342 T343 V344I277-V325 HydrophobicContact CG2-CG1 3.53Å; A302-V325 HydrophobicContact CB-CG1 4.31Å; A302-V325 VanDerWaalsContact O-CA 3.28Å; A302-V325 WeakPolarHBondContact O-CA 3.24Å; V323-V325 HydrophobicContact CG1-CG1 4.18Å; V325-I341 HydrophobicContact CG2-CG2 4.14Å; V325-K342 PolarHBondContact N-O 3.44Å; V325-T343 CarbonylContact O-C 3.57Å; V325-T343 VanDerWaalsContact O-CA 3.23Å; V325-T343 WeakPolarHBondContact O-CA 3.37Å; V325-V344 PolarHBondContact O-N 3.47Å
326T98.4Very high96.4Very high0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-88.4161.9170.776.10000111.7M133 A153 L157 T303 T328 H331 V344 V346M133-T326 HydrophobicContact CE-CG2 4.5Å; A153-T326 HydrophobicContact CB-CG2 3.76Å; L157-T326 HydrophobicContact CD2-CG2 4.33Å; T303-T326 HydrophobicContact CG2-CG2 4.25Å; T303-T326 WeakPolarHBondContact O-CB 3.49Å; T303-T326 PolarHBondContact O-N 3.05Å; T303-T326 PolarHBondContact O-OG1 3.18Å; T326-T328 PolarHBondContact O-N 3.5Å; T326-T328 WeakPolarHBondContact OG1-CG2 3.27Å; T326-T328 PolarHBondContact OG1-N 3.49Å; T326-T328 PolarHBondContact OG1-OG1 3.29Å; T326-T328 VanDerWaalsContact OG1-OG1 3.1Å; T326-H331 PolarHBondContact O-CE1 3.08Å; T326-H331 VanDerWaalsContact O-CE1 3.3Å; T326-V344 VanDerWaalsContact CA-O 3.25Å; T326-V344 WeakPolarHBondContact CA-O 3.49Å; T326-V346 HydrophobicContact CG2-CG1 3.72Å
327N97.3Very high96.4Very high17 Ų1743 Ų439%0.09122%0.222CC..BIsolated β-bridgetrans-7729.1171.764.6-20.2000114.6V329 T343 V344 D345 V346N327-V329 VanDerWaalsContact C-N 3.26Å; N327-V329 PolarHBondContact O-N 3.39Å; N327-T343 HydrophobicContact CB-CG2 3.84Å; N327-V344 PolarHBondContact N-O 2.9Å; N327-V344 VanDerWaalsContact N-O 3.09Å; N327-V344 PolarHBondContact OD1-O 3.42Å; N327-D345 PolarHBondContact ND2-OD1 3.27Å; N327-D345 WeakPolarHBondContact OD1-CA 3.5Å; N327-V346 WeakPolarHBondContact OD1-CG2 3.2Å; N327-V346 PolarHBondContact OD1-N 3.24Å
328T97.6Very high96.4Very high0 Ų036.9 Ų36.90%019%0.193CC..THydrogen-bonded Turntrans-64.2-31.4172.544.20000113.5P97 M133 T303 H304 T326 V346P97-T328 HydrophobicContact CB-CG2 3.79Å; M133-T328 HydrophobicContact CE-CG2 2.97Å; T303-T328 HydrophobicContact CG2-CG2 4.27Å; T303-T328 PolarHBondContact O-OG1 2.89Å; H304-T328 PolarHBondContact ND1-OG1 2.86Å; T326-T328 PolarHBondContact O-N 3.5Å; T326-T328 WeakPolarHBondContact OG1-CG2 3.27Å; T326-T328 PolarHBondContact OG1-N 3.49Å; T326-T328 PolarHBondContact OG1-OG1 3.29Å; T326-T328 VanDerWaalsContact OG1-OG1 3.1Å; T328-V346 HydrophobicContact CG2-CG2 4.16Å
329V96.4Very high96.3Very high7 Ų740 Ų404%0.04221%0.213CC..SBendtrans-119.8141.3175.6178.70000107.3Y98 L306 N327 H331Y98-V329 HydrophobicContact CD1-CG2 3.78Å; Y98-V329 HydrophobicContact CG-CG2 3.75Å; L306-V329 HydrophobicContact CD1-CG2 3.91Å; N327-V329 VanDerWaalsContact C-N 3.26Å; N327-V329 PolarHBondContact O-N 3.39Å; V329-H331 PolarHBondContact O-N 2.81Å; V329-H331 PolarHBondContact O-ND1 3.4Å
330P95Very high96.4Very high34 Ų3440.7 Ų40.722%0.22121%0.211CC..  trans-74.5123.4176.2-14.830.9000110.8C19C19-P330 HydrophobicContact CB-CG 4.19Å
331H94.8Very high96.4Very high1 Ų140.7 Ų40.71%0.00521%0.211CC..  trans-138.229.9-177.454.7-101.7000114.2L307 T326 V329 V333 Q334 K335 T343L307-H331 HydrophobicContact CD1-CB 4.12Å; T326-H331 PolarHBondContact O-CE1 3.08Å; T326-H331 VanDerWaalsContact O-CE1 3.3Å; V329-H331 PolarHBondContact O-N 2.81Å; V329-H331 PolarHBondContact O-ND1 3.4Å; H331-V333 VanDerWaalsContact C-N 3.3Å; H331-V333 PolarHBondContact O-N 2.78Å; H331-Q334 VanDerWaalsContact C-OE1 3.28Å; H331-Q334 HydrophobicContact CB-CB 4.27Å; H331-Q334 PolarHBondContact O-N 3.4Å; H331-Q334 PolarHBondContact O-OE1 2.83Å; H331-K335 PolarHBondContact O-N 3.28Å; H331-T343 WeakPolarHBondContact NE2-CG2 3.4Å; H331-T343 PolarHBondContact NE2-OG1 3.12Å
332E91.8Very high96.4Very high103 Ų10342.4 Ų42.448%0.48122%0.216SC..Hα-helixtrans-61.2-36-177.8-61-57.1150.900112.9K335 L336E332-K335 PolarHBondContact O-N 3.44Å; E332-L336 WeakPolarHBondContact O-CG 3.49Å; E332-L336 PolarHBondContact O-N 3.32Å; E332-L336 VanDerWaalsContact O-N 3.09Å
333V92.9Very high96.4Very high93 Ų9342.6 Ų42.656%0.56422%0.22SC*.Hα-helixtrans-66.4-43.81771780000110.7H331 K335 L336 Q337H331-V333 VanDerWaalsContact C-N 3.3Å; H331-V333 PolarHBondContact O-N 2.78Å; V333-K335 VanDerWaalsContact C-N 3.31Å; V333-K335 PolarHBondContact O-N 2.96Å; V333-L336 WeakPolarHBondContact O-CB 3.31Å; V333-L336 PolarHBondContact O-N 3.37Å; V333-Q337 WeakPolarHBondContact O-CG 3.45Å; V333-Q337 PolarHBondContact O-N 3.31Å; V333-Q337 VanDerWaalsContact O-N 3.15Å
334Q94.4Very high96.3Very high38 Ų3843.4 Ų43.418%0.17823%0.225CC..Hα-helixtrans-63.3-39.7178.3-65.992.1-36.200111.2L307 P312 H331 L336 Q337 C338 I341L307-Q334 HydrophobicContact CB-CB 4.35Å; L307-Q334 HydrophobicContact CB-CG 3.91Å; L307-Q334 HydrophobicContact CD1-CB 4.19Å; P312-Q334 HydrophobicContact CB-CB 4.48Å; P312-Q334 HydrophobicContact CG-CB 3.6Å; P312-Q334 HydrophobicContact CG-CG 3.62Å; H331-Q334 VanDerWaalsContact C-OE1 3.28Å; H331-Q334 HydrophobicContact CB-CB 4.27Å; H331-Q334 PolarHBondContact O-N 3.4Å; H331-Q334 PolarHBondContact O-OE1 2.83Å; Q334-L336 VanDerWaalsContact C-N 3.34Å; Q334-L336 PolarHBondContact O-N 2.95Å; Q334-Q337 WeakPolarHBondContact O-CB 3.22Å; Q334-Q337 PolarHBondContact O-N 3.17Å; Q334-Q337 VanDerWaalsContact O-N 3.13Å; Q334-C338 PolarHBondContact O-N 2.86Å; Q334-I341 HydrophobicContact CB-CD1 4.24Å
335K93.9Very high96.3Very high80 Ų8045.7 Ų45.735%0.34824%0.237SC..Hα-helixtrans-66.1-33.8176.4-170.4175.6-179-178.90113.1H331 E332 V333 Q337 C338H331-K335 PolarHBondContact O-N 3.28Å; E332-K335 PolarHBondContact O-N 3.44Å; V333-K335 VanDerWaalsContact C-N 3.31Å; V333-K335 PolarHBondContact O-N 2.96Å; K335-Q337 VanDerWaalsContact C-N 3.3Å; K335-C338 CarbonylContact O-C 3.59Å
336L94.2Very high96.2Very high157 Ų15745.7 Ų45.782%0.82224%0.237SC*.Hα-helixtrans-67.6-32171.9-72.1169.7000112.2E332 V333 Q334E332-L336 WeakPolarHBondContact O-CG 3.49Å; E332-L336 PolarHBondContact O-N 3.32Å; E332-L336 VanDerWaalsContact O-N 3.09Å; V333-L336 WeakPolarHBondContact O-CB 3.31Å; V333-L336 PolarHBondContact O-N 3.37Å; Q334-L336 VanDerWaalsContact C-N 3.34Å; Q334-L336 PolarHBondContact O-N 2.95Å
337Q95.3Very high96.1Very high118 Ų11845.7 Ų45.755%0.55124%0.237SC*.Hα-helixtrans-79.3-28.8178.7-69.7173.3-17.800113.2P312 V333 Q334 K335P312-Q337 HydrophobicContact CB-CB 3.8Å; V333-Q337 WeakPolarHBondContact O-CG 3.45Å; V333-Q337 PolarHBondContact O-N 3.31Å; V333-Q337 VanDerWaalsContact O-N 3.15Å; Q334-Q337 WeakPolarHBondContact O-CB 3.22Å; Q334-Q337 PolarHBondContact O-N 3.17Å; Q334-Q337 VanDerWaalsContact O-N 3.13Å; K335-Q337 VanDerWaalsContact C-N 3.3Å
338C96.8Very high96Very high0 Ų049.5 Ų49.50%026%0.256CS..  trans-138.1105.1-177.2179.40000111.3P312 E316 Q334 K335 K340 I341P312-C338 HydrophobicContact CB-CB 3.83Å; P312-C338 WeakPolarHBondContact O-CB 3.35Å; E316-C338 PolarHBondContact OE2-SG 2.91Å; Q334-C338 PolarHBondContact O-N 2.86Å; K335-C338 CarbonylContact O-C 3.59Å; C338-K340 PolarHBondContact O-N 3.39Å; C338-I341 HydrophobicContact CB-CD1 3.78Å; C338-I341 HydrophobicContact CB-CG1 4.1Å; C338-I341 PolarHBondContact O-N 3.49Å; C338-I341 VanDerWaalsContact O-N 3.12Å
339P96.8Very high95.9Very high81 Ų8150 Ų5053%0.52626%0.258SS..THydrogen-bonded Turntrans-68.4-14.7-17928-36.2000114.2E316 I341 K342E316-P339 WeakPolarHBondContact OE2-CD 3.43Å; P339-I341 PolarHBondContact O-N 3.22Å; P339-K342 PolarHBondContact O-NZ 3.31Å
340K98Very high95.9Very high40 Ų4049.6 Ų49.617%0.17426%0.256CS..THydrogen-bonded Turntrans-66.1-15.7171.5-59.1179.5-178-179.40112.6I315 E316 S318 I320 E322 V323 C338 K342I315-K340 HydrophobicContact CG2-CB 4.3Å; I315-K340 HydrophobicContact CG2-CD 4.22Å; I315-K340 PolarHBondContact O-NZ 2.97Å; E316-K340 WeakPolarHBondContact O-CE 3.4Å; E316-K340 PolarHBondContact O-NZ 3.32Å; S318-K340 PolarHBondContact O-NZ 3.42Å; I320-K340 WeakPolarHBondContact O-CD 3.4Å; I320-K340 WeakPolarHBondContact O-CE 3.4Å; I320-K340 PolarHBondContact O-NZ 3.4Å; E322-K340 WeakPolarHBondContact CG-O 3.37Å; V323-K340 PolarHBondContact N-O 3.32Å; C338-K340 PolarHBondContact O-N 3.39Å; K340-K342 PolarHBondContact O-N 2.87Å
341I98.3Very high95.9Very high1 Ų148.2 Ų48.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-81.9114.1178.8-59.3169.3000110.2L307 P312 V323 V325 Q334 C338 P339L307-I341 HydrophobicContact CD1-CD1 3.98Å; L307-I341 HydrophobicContact CD1-CG2 4.33Å; L307-I341 HydrophobicContact CD2-CD1 4.49Å; P312-I341 HydrophobicContact CB-CD1 4.42Å; V323-I341 HydrophobicContact CB-CG1 4.45Å; V323-I341 CarbonylContact O-C 3.57Å; V323-I341 WeakPolarHBondContact O-CA 3.5Å; V325-I341 HydrophobicContact CG2-CG2 4.14Å; Q334-I341 HydrophobicContact CB-CD1 4.24Å; C338-I341 HydrophobicContact CB-CD1 3.78Å; C338-I341 HydrophobicContact CB-CG1 4.1Å; C338-I341 PolarHBondContact O-N 3.49Å; C338-I341 VanDerWaalsContact O-N 3.12Å; P339-I341 PolarHBondContact O-N 3.22Å
342K98.1Very high96Very high84 Ų8450.3 Ų50.337%0.36526%0.257SS..EExtended strand (participates in β ladder)trans-105.3150.4172.9-57-57.9-173.7-165.50110.5Y160 E322 V323 V324 V325 P339 K340Y160-K342 WeakPolarHBondContact OH-CB 3.42Å; Y160-K342 WeakPolarHBondContact OH-CG 3.28Å; E322-K342 VanDerWaalsContact CD-CG 3.46Å; E322-K342 HydrophobicContact CG-CG 3.7Å; V323-K342 PolarHBondContact O-N 3.14Å; V324-K342 HydrophobicContact CG2-CB 4.36Å; V325-K342 PolarHBondContact N-O 3.44Å; P339-K342 PolarHBondContact O-NZ 3.31Å; K340-K342 PolarHBondContact O-N 2.87Å
343T98.1Very high96.2Very high41 Ų4145.4 Ų45.425%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-127.3123.9-173.6-48.80000111.1V325 N327 H331V325-T343 CarbonylContact O-C 3.57Å; V325-T343 VanDerWaalsContact O-CA 3.23Å; V325-T343 WeakPolarHBondContact O-CA 3.37Å; N327-T343 HydrophobicContact CB-CG2 3.84Å; H331-T343 WeakPolarHBondContact NE2-CG2 3.4Å; H331-T343 PolarHBondContact NE2-OG1 3.12Å
344V98Very high96.3Very high17 Ų1741 Ų4110%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-95.6130173.5177.70000109.3F156 L157 Y160 V324 V325 T326 N327F156-V344 HydrophobicContact CB-CG1 3.73Å; L157-V344 HydrophobicContact CD2-CB 4.47Å; L157-V344 HydrophobicContact CD2-CG2 4.17Å; Y160-V344 HydrophobicContact CD2-CG2 3.7Å; Y160-V344 HydrophobicContact CE2-CG2 4.34Å; Y160-V344 HydrophobicContact CG-CG2 4.17Å; V324-V344 HydrophobicContact CG1-CG2 3.65Å; V325-V344 PolarHBondContact O-N 3.47Å; T326-V344 VanDerWaalsContact CA-O 3.25Å; T326-V344 WeakPolarHBondContact CA-O 3.49Å; N327-V344 PolarHBondContact N-O 2.9Å; N327-V344 VanDerWaalsContact N-O 3.09Å; N327-V344 PolarHBondContact OD1-O 3.42Å
345D97.1Very high96.3Very high48 Ų4842.6 Ų42.626%0.25721%0.212SC..  trans-82.7124.2-179.7178.435.2000111.8R29 N327 S347R29-D345 IonicContact CZ-OD2 3.74Å; R29-D345 IonicContact NE-OD2 3.93Å; R29-D345 IonicContact NH2-OD2 2.73Å; R29-D345 PolarHBondContact NH2-OD2 2.86Å; N327-D345 PolarHBondContact ND2-OD1 3.27Å; N327-D345 WeakPolarHBondContact OD1-CA 3.5Å; D345-S347 VanDerWaalsContact OD1-CB 3.28Å; D345-S347 WeakPolarHBondContact OD1-CB 3.33Å; D345-S347 PolarHBondContact OD1-N 3Å; D345-S347 PolarHBondContact OD1-OG 3.43Å; D345-S347 PolarHBondContact OD2-OG 3.41Å
346V96.9Very high96.3Very high0 Ų040.3 Ų40.30%020%0.201CC..  trans-112.59.2178-64.30000113.2M133 T326 N327 T328 M348 I349 L350M133-V346 HydrophobicContact CE-CB 3.89Å; M133-V346 HydrophobicContact CE-CG1 3.87Å; M133-V346 HydrophobicContact CE-CG2 3.58Å; M133-V346 HydrophobicContact SD-CB 4.2Å; M133-V346 HydrophobicContact SD-CG1 4.22Å; M133-V346 HydrophobicContact SD-CG2 4.44Å; T326-V346 HydrophobicContact CG2-CG1 3.72Å; N327-V346 WeakPolarHBondContact OD1-CG2 3.2Å; N327-V346 PolarHBondContact OD1-N 3.24Å; T328-V346 HydrophobicContact CG2-CG2 4.16Å; V346-M348 PolarHBondContact O-N 2.91Å; V346-I349 HydrophobicContact CB-CG2 3.94Å; V346-I349 WeakPolarHBondContact O-CG2 3.46Å; V346-I349 PolarHBondContact O-N 3.28Å; V346-L350 HydrophobicContact CG2-CD1 4.31Å; V346-L350 PolarHBondContact O-N 3.03Å
347S96.8Very high96.3Very high0 Ų034.6 Ų34.60%017%0.171CC..Hα-helixtrans-59.3-28.8176.759.40000112.8R29 D345 A351R29-S347 PolarHBondContact NE-OG 2.96Å; D345-S347 VanDerWaalsContact OD1-CB 3.28Å; D345-S347 WeakPolarHBondContact OD1-CB 3.33Å; D345-S347 PolarHBondContact OD1-N 3Å; D345-S347 PolarHBondContact OD1-OG 3.43Å; D345-S347 PolarHBondContact OD2-OG 3.41Å; S347-A351 VanDerWaalsContact O-CB 3.26Å; S347-A351 WeakPolarHBondContact O-CB 3.48Å; S347-A351 PolarHBondContact O-N 2.99Å
348M94.3Very high96.2Very high96 Ų9631.4 Ų31.447%0.47316%0.156SC..Hα-helixtrans-63.5-49.6177-17663.483.200112.7V346 L350 A351 E352V346-M348 PolarHBondContact O-N 2.91Å; M348-L350 VanDerWaalsContact C-N 3.31Å; M348-L350 PolarHBondContact O-N 2.95Å; M348-A351 PolarHBondContact O-N 2.9Å; M348-E352 WeakPolarHBondContact O-CB 3.23Å; M348-E352 PolarHBondContact O-N 2.82Å
349I95.5Very high96Very high10 Ų1035.6 Ų35.65%0.05118%0.178CC..Hα-helixtrans-67.9-35-179-173.3168.3000111.4M133 L151 R152 F156 V346 A353 L366M133-I349 HydrophobicContact SD-CG2 4.27Å; L151-I349 HydrophobicContact CB-CD1 4.32Å; L151-I349 HydrophobicContact CD1-CG1 4.28Å; R152-I349 WeakPolarHBondContact O-CD1 3.46Å; F156-I349 HydrophobicContact CE2-CB 3.76Å; F156-I349 HydrophobicContact CE2-CD1 4Å; F156-I349 HydrophobicContact CE2-CG1 4.43Å; F156-I349 HydrophobicContact CE2-CG2 3.82Å; F156-I349 HydrophobicContact CZ-CB 3.86Å; F156-I349 HydrophobicContact CZ-CG2 4.13Å; V346-I349 HydrophobicContact CB-CG2 3.94Å; V346-I349 WeakPolarHBondContact O-CG2 3.46Å; V346-I349 PolarHBondContact O-N 3.28Å; I349-A353 WeakPolarHBondContact O-CB 3.38Å; I349-A353 PolarHBondContact O-N 3.03Å; I349-L366 HydrophobicContact CG1-CD1 4.42Å; I349-L366 HydrophobicContact CG1-CD2 4.26Å
350L97Very high95.8Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-68-43.6175.5-67.7168.8000112L22 I26 V95 P97 I131 L151 V346 M348 A353 I354L22-L350 HydrophobicContact CD1-CD1 4.28Å; L22-L350 HydrophobicContact CD2-CD1 3.96Å; L22-L350 HydrophobicContact CG-CD1 4.42Å; I26-L350 HydrophobicContact CD1-CB 3.73Å; I26-L350 HydrophobicContact CD1-CD1 3.83Å; I26-L350 HydrophobicContact CD1-CG 4.42Å; I26-L350 HydrophobicContact CG1-CB 4.09Å; V95-L350 HydrophobicContact CG1-CD2 4.11Å; P97-L350 HydrophobicContact CB-CD1 4.2Å; P97-L350 HydrophobicContact CG-CD1 3.87Å; I131-L350 HydrophobicContact CG2-CD2 4.33Å; L151-L350 HydrophobicContact CD1-CD2 3.84Å; V346-L350 HydrophobicContact CG2-CD1 4.31Å; V346-L350 PolarHBondContact O-N 3.03Å; M348-L350 VanDerWaalsContact C-N 3.31Å; M348-L350 PolarHBondContact O-N 2.95Å; L350-A353 PolarHBondContact O-N 3.46Å; L350-I354 WeakPolarHBondContact O-CG1 3.37Å; L350-I354 PolarHBondContact O-N 3.36Å
351A96Very high95.5Very high5 Ų536.7 Ų36.74%0.04120%0.196CC..Hα-helixtrans-61.3-45174.900000111.5I26 R29 L30 S347 M348 A353 I354 R355I26-A351 HydrophobicContact CG2-CB 4.26Å; R29-A351 HydrophobicContact CB-CB 3.89Å; L30-A351 HydrophobicContact CD2-CB 4.09Å; L30-A351 WeakPolarHBondContact CD2-O 3.48Å; L30-A351 HydrophobicContact CG-CB 4Å; S347-A351 VanDerWaalsContact O-CB 3.26Å; S347-A351 WeakPolarHBondContact O-CB 3.48Å; S347-A351 PolarHBondContact O-N 2.99Å; M348-A351 PolarHBondContact O-N 2.9Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.87Å; A351-I354 PolarHBondContact O-N 2.88Å; A351-R355 WeakPolarHBondContact O-CB 3.41Å; A351-R355 PolarHBondContact O-N 2.86Å
352E94.9Very high95.1Very high45 Ų4540.5 Ų40.521%0.2122%0.223CC..Hα-helixtrans-65.3-36.7178.8-177.359.7-170.600112.3M348 R355 R356 L366M348-E352 WeakPolarHBondContact O-CB 3.23Å; M348-E352 PolarHBondContact O-N 2.82Å; E352-R355 PolarHBondContact O-N 3.04Å; E352-R355 IonicContact OE1-CZ 2.89Å; E352-R355 IonicContact OE1-NE 3.65Å; E352-R355 IonicContact OE1-NH2 3.34Å; E352-R355 PolarHBondContact OE1-NH2 2.77Å; E352-R355 IonicContact OE2-CZ 3.07Å; E352-R355 IonicContact OE2-NE 2.83Å; E352-R355 PolarHBondContact OE2-NE 3.31Å; E352-R355 IonicContact OE2-NH2 2.74Å; E352-R356 WeakPolarHBondContact O-CB 3.37Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.26Å; E352-R356 PolarHBondContact O-N 2.88Å; E352-R356 IonicContact OE1-CZ 3.88Å; E352-R356 IonicContact OE1-NE 2.83Å; E352-R356 PolarHBondContact OE1-NE 3.47Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 2.76Å; E352-L366 HydrophobicContact CB-CD2 4.4Å; E352-L366 HydrophobicContact CG-CD1 4.45Å; E352-L366 HydrophobicContact CG-CD2 3.83Å
353A96.3Very high94.7Very high0 Ų037.6 Ų37.60%021%0.211CC..Hα-helixtrans-61.9-47.3172.900000112.1I131 L151 I349 L350 A351 R355 R356 I357 M363 L366I131-A353 HydrophobicContact CD1-CB 4.14Å; I131-A353 HydrophobicContact CG2-CB 4.1Å; L151-A353 HydrophobicContact CD1-CB 3.81Å; L151-A353 HydrophobicContact CD2-CB 4.22Å; I349-A353 WeakPolarHBondContact O-CB 3.38Å; I349-A353 PolarHBondContact O-N 3.03Å; L350-A353 PolarHBondContact O-N 3.46Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.87Å; A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 2.81Å; A353-R356 PolarHBondContact O-N 2.65Å; A353-I357 WeakPolarHBondContact O-CG1 3.41Å; A353-I357 PolarHBondContact O-N 3.28Å; A353-M363 HydrophobicContact CB-CE 3.66Å; A353-L366 HydrophobicContact CB-CD1 4.09Å
354I95.8Very high93.9Very high0 Ų038.4 Ų38.40%022%0.222CC..Hα-helixtrans-57.6-47.8175.9-69.6166.1000110.7Y8 I26 L30 F61 V95 I131 L350 A351 R356 I357 H358Y8-I354 HydrophobicContact CD2-CG2 4.42Å; Y8-I354 HydrophobicContact CE2-CG2 4.05Å; I26-I354 HydrophobicContact CG2-CD1 3.58Å; L30-I354 HydrophobicContact CD1-CB 4.25Å; L30-I354 HydrophobicContact CD1-CD1 4.19Å; L30-I354 HydrophobicContact CD1-CG2 3.78Å; F61-I354 HydrophobicContact CD1-CB 4.28Å; F61-I354 HydrophobicContact CD1-CG1 3.83Å; F61-I354 HydrophobicContact CD1-CG2 3.88Å; F61-I354 HydrophobicContact CD2-CG2 3.94Å; F61-I354 HydrophobicContact CE1-CB 4.19Å; F61-I354 HydrophobicContact CE1-CG1 4.14Å; F61-I354 HydrophobicContact CE1-CG2 3.85Å; F61-I354 HydrophobicContact CE2-CG2 3.91Å; F61-I354 HydrophobicContact CG-CG1 4.4Å; F61-I354 HydrophobicContact CG-CG2 3.93Å; F61-I354 HydrophobicContact CZ-CG2 3.86Å; V95-I354 HydrophobicContact CG2-CD1 4.04Å; V95-I354 HydrophobicContact CG2-CG1 4.05Å; I131-I354 HydrophobicContact CD1-CG1 3.94Å; L350-I354 WeakPolarHBondContact O-CG1 3.37Å; L350-I354 PolarHBondContact O-N 3.36Å; A351-I354 PolarHBondContact O-N 2.88Å; I354-R356 PolarHBondContact O-N 2.83Å; I354-I357 PolarHBondContact O-N 2.62Å; I354-H358 WeakPolarHBondContact O-CB 2.96Å; I354-H358 PolarHBondContact O-N 2.62Å
355R94.8Very high92.9Very high71 Ų7145 Ų4527%0.26825%0.246SC..Hα-helixtrans-59.6-45.9-179.8-166.5-166.567.767.84.8111.6L30 A351 E352 A353 N359 E361L30-R355 HydrophobicContact CD2-CB 4.16Å; A351-R355 WeakPolarHBondContact O-CB 3.41Å; A351-R355 PolarHBondContact O-N 2.86Å; E352-R355 PolarHBondContact O-N 3.04Å; E352-R355 IonicContact OE1-CZ 2.89Å; E352-R355 IonicContact OE1-NE 3.65Å; E352-R355 IonicContact OE1-NH2 3.34Å; E352-R355 PolarHBondContact OE1-NH2 2.77Å; E352-R355 IonicContact OE2-CZ 3.07Å; E352-R355 IonicContact OE2-NE 2.83Å; E352-R355 PolarHBondContact OE2-NE 3.31Å; E352-R355 IonicContact OE2-NH2 2.74Å; A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 2.81Å; R355-N359 PolarHBondContact NH1-ND2 3.27Å; R355-N359 WeakPolarHBondContact O-CB 3.37Å; R355-N359 PolarHBondContact O-N 3.31Å; R355-N359 VanDerWaalsContact O-N 3.1Å; R355-E361 IonicContact CZ-OE1 3.98Å; R355-E361 IonicContact CZ-OE2 3.83Å; R355-E361 VanDerWaalsContact NH1-CD 3.29Å; R355-E361 IonicContact NH1-OE1 2.74Å; R355-E361 PolarHBondContact NH1-OE1 2.83Å; R355-E361 IonicContact NH1-OE2 3.09Å; R355-E361 PolarHBondContact NH1-OE2 3.08Å; R355-E361 VanDerWaalsContact NH1-OE2 3.09Å; R355-E361 IonicContact NH2-OE1 2.78Å; R355-E361 IonicContact NH2-OE2 2.8Å; R355-E361 PolarHBondContact NH2-OE2 3.09Å
356R94.4Very high92.1Very high33 Ų3343.9 Ų43.913%0.12524%0.24CC..Hα-helixtrans-65.6-46.4-179.7-75.1177.2-177.9-84.2-16.4112.5E352 A353 I354 H358 N359 G360 E361 S362 M363E352-R356 WeakPolarHBondContact O-CB 3.37Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.26Å; E352-R356 PolarHBondContact O-N 2.88Å; E352-R356 IonicContact OE1-CZ 3.88Å; E352-R356 IonicContact OE1-NE 2.83Å; E352-R356 PolarHBondContact OE1-NE 3.47Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 2.76Å; A353-R356 PolarHBondContact O-N 2.65Å; I354-R356 PolarHBondContact O-N 2.83Å; R356-H358 VanDerWaalsContact C-N 3.31Å; R356-H358 PolarHBondContact O-N 3.24Å; R356-N359 CarbonylContact O-C 3.48Å; R356-N359 PolarHBondContact O-N 3.15Å; R356-G360 PolarHBondContact O-N 3.35Å; R356-E361 HydrophobicContact CB-CB 4.08Å; R356-E361 HydrophobicContact CG-CB 4.03Å; R356-E361 PolarHBondContact O-N 3.01Å; R356-S362 PolarHBondContact NH1-O 3.23Å; R356-M363 HydrophobicContact CB-SD 3.68Å; R356-M363 HydrophobicContact CG-SD 4.42Å
357I94.3Very high91Very high37 Ų3746.9 Ų46.919%0.1925%0.253CS..Hα-helixtrans-60.9-43.5178.7-69.8170.7000110.6F61 I131 D149 A353 I354 N359 G360 M363F61-I357 HydrophobicContact CE1-CB 4.47Å; F61-I357 HydrophobicContact CE1-CG2 4.25Å; F61-I357 HydrophobicContact CZ-CG2 4.26Å; I131-I357 HydrophobicContact CD1-CD1 3.39Å; I131-I357 HydrophobicContact CG1-CD1 3.54Å; D149-I357 WeakPolarHBondContact OD2-CD1 3.35Å; A353-I357 WeakPolarHBondContact O-CG1 3.41Å; A353-I357 PolarHBondContact O-N 3.28Å; I354-I357 PolarHBondContact O-N 2.62Å; I357-N359 PolarHBondContact O-N 2.99Å; I357-G360 PolarHBondContact O-N 3.12Å; I357-M363 HydrophobicContact CG1-SD 4.36Å
358H93.2Very high89.4Confident51 Ų5156.2 Ų56.224%0.23629%0.288CS..Hα-helixtrans-62.1-42.6177.518059000112.5G7 Y8 D59 F61 I354 R356 G360G7-H358 VanDerWaalsContact C-CE1 3.47Å; Y8-H358 HydrophobicContact CD1-CB 4.17Å; Y8-H358 AromaticContact CD1-CD2 3.33Å; Y8-H358 WeakPolarHBondContact CD1-CD2 3.07Å; Y8-H358 AromaticContact CD1-CE1 3.79Å; Y8-H358 AromaticContact CD1-CG 3.46Å; Y8-H358 VanDerWaalsContact CD1-CG 3.46Å; Y8-H358 AromaticContact CD1-ND1 3.76Å; Y8-H358 AromaticContact CD1-NE2 3.52Å; Y8-H358 AromaticContact CE1-CD2 3.77Å; D59-H358 IonicContact OD2-ND1 3.78Å; F61-H358 HydrophobicContact CE2-CB 4.37Å; F61-H358 HydrophobicContact CZ-CB 4.25Å; I354-H358 WeakPolarHBondContact O-CB 2.96Å; I354-H358 PolarHBondContact O-N 2.62Å; R356-H358 VanDerWaalsContact C-N 3.31Å; R356-H358 PolarHBondContact O-N 3.24Å; H358-G360 VanDerWaalsContact C-N 3.31Å; H358-G360 PolarHBondContact O-N 2.85Å
359N92.5Very high87.6Confident87 Ų8758.2 Ų58.247%0.46530%0.301SS..Hα-helixtrans-82-4.6-178.5-69.3-12.2000114.1R355 R356 I357 E361R355-N359 PolarHBondContact NH1-ND2 3.27Å; R355-N359 WeakPolarHBondContact O-CB 3.37Å; R355-N359 PolarHBondContact O-N 3.31Å; R355-N359 VanDerWaalsContact O-N 3.1Å; R356-N359 CarbonylContact O-C 3.48Å; R356-N359 PolarHBondContact O-N 3.15Å; I357-N359 PolarHBondContact O-N 2.99Å; N359-E361 HydrophobicContact CB-CG 3.81Å; N359-E361 WeakPolarHBondContact CB-OE1 3.37Å; N359-E361 PolarHBondContact ND2-OE1 2.79Å; N359-E361 PolarHBondContact O-N 3.27Å
360G91.4Very high86Confident71 Ų7159.4 Ų59.473%0.73231%0.307SS*.THydrogen-bonded Turntrans66.824.8-172.800000113.6R356 I357 H358R356-G360 PolarHBondContact O-N 3.35Å; I357-G360 PolarHBondContact O-N 3.12Å; H358-G360 VanDerWaalsContact C-N 3.31Å; H358-G360 PolarHBondContact O-N 2.85Å
361E92Very high84.2Confident73 Ų7361.7 Ų61.734%0.34132%0.321SS..  trans-81.2153.9178.7-67.8171.4-148.300111.4R355 R356 N359 M363R355-E361 IonicContact CZ-OE1 3.98Å; R355-E361 IonicContact CZ-OE2 3.83Å; R355-E361 VanDerWaalsContact NH1-CD 3.29Å; R355-E361 IonicContact NH1-OE1 2.74Å; R355-E361 PolarHBondContact NH1-OE1 2.83Å; R355-E361 IonicContact NH1-OE2 3.09Å; R355-E361 PolarHBondContact NH1-OE2 3.08Å; R355-E361 VanDerWaalsContact NH1-OE2 3.09Å; R355-E361 IonicContact NH2-OE1 2.78Å; R355-E361 IonicContact NH2-OE2 2.8Å; R355-E361 PolarHBondContact NH2-OE2 3.09Å; R356-E361 HydrophobicContact CB-CB 4.08Å; R356-E361 HydrophobicContact CG-CB 4.03Å; R356-E361 PolarHBondContact O-N 3.01Å; N359-E361 HydrophobicContact CB-CG 3.81Å; N359-E361 WeakPolarHBondContact CB-OE1 3.37Å; N359-E361 PolarHBondContact ND2-OE1 2.79Å; N359-E361 PolarHBondContact O-N 3.27Å; E361-M363 PolarHBondContact O-N 2.97Å
362S90.4Very high82.4Confident82 Ų8266.9 Ų66.957%0.57335%0.352SS*.  trans-65.7133.5178-176.90000112.1R356 A364R356-S362 PolarHBondContact NH1-O 3.23Å; S362-A364 VanDerWaalsContact C-N 3.26Å; S362-A364 PolarHBondContact O-N 3.45Å; S362-A364 VanDerWaalsContact OG-CB 3.3Å; S362-A364 WeakPolarHBondContact OG-CB 3.41Å; S362-A364 PolarHBondContact OG-N 3.38Å
363M89Confident80.5Confident23 Ų2368.4 Ų68.411%0.11336%0.361CS..THydrogen-bonded Turntrans-76.9-10.2171.3-68.3-65-80.400113.2D149 L151 A353 R356 I357 E361 Y365 L366 F367D149-M363 HydrophobicContact CB-CE 4.17Å; L151-M363 HydrophobicContact CD2-CE 3.72Å; A353-M363 HydrophobicContact CB-CE 3.66Å; R356-M363 HydrophobicContact CB-SD 3.68Å; R356-M363 HydrophobicContact CG-SD 4.42Å; I357-M363 HydrophobicContact CG1-SD 4.36Å; E361-M363 PolarHBondContact O-N 2.97Å; M363-Y365 PolarHBondContact O-N 3.42Å; M363-L366 HydrophobicContact CE-CD1 3.67Å; M363-L366 WeakPolarHBondContact O-CB 3.42Å; M363-L366 PolarHBondContact O-N 3.08Å; M363-L366 HydrophobicContact SD-CD1 4.02Å; M363-F367 HydrophobicContact CB-CD2 4.35Å; M363-F367 HydrophobicContact CB-CE2 4.06Å; M363-F367 VanDerWaalsContact O-CD2 3.27Å; M363-F367 WeakPolarHBondContact O-CD2 3.01Å
364A81.3Confident78.6Confident58 Ų5869.2 Ų69.248%0.47937%0.366SS..Hα-helixtrans-57.1-28.3-173.800000113.9S362 L366 F367 R368S362-A364 VanDerWaalsContact C-N 3.26Å; S362-A364 PolarHBondContact O-N 3.45Å; S362-A364 VanDerWaalsContact OG-CB 3.3Å; S362-A364 WeakPolarHBondContact OG-CB 3.41Å; S362-A364 PolarHBondContact OG-N 3.38Å; A364-L366 VanDerWaalsContact C-N 3.3Å; A364-L366 PolarHBondContact O-N 2.98Å; A364-F367 CarbonylContact O-C 3.43Å; A364-F367 PolarHBondContact O-N 3.23Å; A364-R368 PolarHBondContact O-N 3.08Å
365Y77.1Confident77.7Confident154 Ų15472.7 Ų72.760%0.60438%0.384SS*.Hα-helixtrans-62.5-37.8176.3-171.1-96.4000112.5M363 F367 R368M363-Y365 PolarHBondContact O-N 3.42Å; Y365-F367 PolarHBondContact O-N 3Å; Y365-R368 PolarHBondContact O-N 2.89Å
366L80.6Confident76.8Confident26 Ų2672.7 Ų72.714%0.13639%0.39CS..Hα-helixtrans-70.1-14.1176.3-61.2-178.4000112.4L151 I349 E352 A353 M363 A364 I370L151-L366 HydrophobicContact CD2-CD1 4.09Å; I349-L366 HydrophobicContact CG1-CD1 4.42Å; I349-L366 HydrophobicContact CG1-CD2 4.26Å; E352-L366 HydrophobicContact CB-CD2 4.4Å; E352-L366 HydrophobicContact CG-CD1 4.45Å; E352-L366 HydrophobicContact CG-CD2 3.83Å; A353-L366 HydrophobicContact CB-CD1 4.09Å; M363-L366 HydrophobicContact CE-CD1 3.67Å; M363-L366 WeakPolarHBondContact O-CB 3.42Å; M363-L366 PolarHBondContact O-N 3.08Å; M363-L366 HydrophobicContact SD-CD1 4.02Å; A364-L366 VanDerWaalsContact C-N 3.3Å; A364-L366 PolarHBondContact O-N 2.98Å; L366-I370 WeakPolarHBondContact O-CD1 3.3Å
367F73.8Confident75.9Confident62 Ų6274.9 Ų74.927%0.27241%0.405SS..Hα-helixtrans-110.8-2.6-179-64-69.8000114.4N150 L151 M363 A364 Y365 N369 I370N150-F367 VanDerWaalsContact O-CE1 3.25Å; N150-F367 WeakPolarHBondContact O-CE1 3.45Å; N150-F367 WeakPolarHBondContact O-CZ 3.3Å; L151-F367 HydrophobicContact CD2-CZ 4.09Å; M363-F367 HydrophobicContact CB-CD2 4.35Å; M363-F367 HydrophobicContact CB-CE2 4.06Å; M363-F367 VanDerWaalsContact O-CD2 3.27Å; M363-F367 WeakPolarHBondContact O-CD2 3.01Å; A364-F367 CarbonylContact O-C 3.43Å; A364-F367 PolarHBondContact O-N 3.23Å; Y365-F367 PolarHBondContact O-N 3Å; F367-N369 PolarHBondContact O-N 3.28Å; F367-I370 HydrophobicContact CD1-CD1 4.09Å; F367-I370 PolarHBondContact O-N 3.32Å
368R62Low74.8Confident197 Ų19777.2 Ų77.274%0.74342%0.417SS*.THydrogen-bonded Turntrans-60.7-25.8-165.5-167.1174.6-179.3179.10.4114.7A364 Y365A364-R368 PolarHBondContact O-N 3.08Å; Y365-R368 PolarHBondContact O-N 2.89Å
369N58.2Low73.6Confident137 Ų13778.8 Ų78.873%0.73343%0.429SS*.THydrogen-bonded Turntrans-117.321.6-179.9-63.3-21.8000112.7F367F367-N369 PolarHBondContact O-N 3.28Å
370I61.3Low72.4Confident35 Ų3578.3 Ų78.318%0.17943%0.426CS..  trans-107.5126.9-179.2-72.7151.8000109.4R152 P155 L366 F367 D374R152-I370 HydrophobicContact CB-CD1 3.57Å; R152-I370 HydrophobicContact CB-CG1 4.12Å; R152-I370 HydrophobicContact CG-CB 4.4Å; R152-I370 HydrophobicContact CG-CD1 3.54Å; R152-I370 HydrophobicContact CG-CG1 3.93Å; R152-I370 HydrophobicContact CG-CG2 3.63Å; P155-I370 HydrophobicContact CG-CD1 4.12Å; P155-I370 HydrophobicContact CG-CG1 4.24Å; L366-I370 WeakPolarHBondContact O-CD1 3.3Å; F367-I370 HydrophobicContact CD1-CD1 4.09Å; F367-I370 PolarHBondContact O-N 3.32Å; I370-D374 HydrophobicContact CG2-CB 4.17Å
371T59.4Low71Confident48 Ų4878.8 Ų78.829%0.29441%0.405SS..  trans-77.1158.3175.257.70000110.7S186 R190 D373 D374S186-T371 PolarHBondContact OG-OG1 3.15Å; R190-T371 PolarHBondContact NH2-OG1 3.48Å; T371-D373 PolarHBondContact O-N 3.13Å; T371-D374 PolarHBondContact O-N 2.89Å
372V58.2Low69.4Low115 Ų11579.2 Ų79.270%0.69741%0.409SS*.THydrogen-bonded Turntrans-64.5-19.8179.6-179.10000112.5K138K138-V372 PolarHBondContact NZ-O 3.28Å
373D54.2Low67.6Low76 Ų7679 Ų7941%0.40640%0.396SS..THydrogen-bonded Turntrans-104.5-1.5-172.6-63.7-54.8000115.3K138 T371K138-D373 IonicContact NZ-OD1 3.1Å; T371-D373 PolarHBondContact O-N 3.13Å
374D56.5Low65.7Low17 Ų1784.1 Ų84.19%0.09142%0.421CS..  trans-54.70150.1-87.9-1.2000109R152 S154 S186 R190 I370 T371R152-D374 VanDerWaalsContact CZ-O 3.22Å; R152-D374 VanDerWaalsContact CZ-OXT 3.31Å; R152-D374 PolarHBondContact NH1-O 3.17Å; R152-D374 PolarHBondContact NH2-O 3Å; R152-D374 PolarHBondContact NH2-OXT 2.96Å; S154-D374 WeakPolarHBondContact CB-OD2 3.2Å; S154-D374 PolarHBondContact OG-OD2 3.26Å; S186-D374 WeakPolarHBondContact CB-OD1 3.12Å; S186-D374 PolarHBondContact OG-OD1 3.22Å; R190-D374 IonicContact CZ-OD1 3.51Å; R190-D374 IonicContact CZ-OD2 2.78Å; R190-D374 IonicContact NH1-OD1 3.6Å; R190-D374 IonicContact NH1-OD2 2.81Å; R190-D374 PolarHBondContact NH1-OD2 3.37Å; R190-D374 IonicContact NH2-OD1 3.63Å; R190-D374 PolarHBondContact NH2-OD1 3.04Å; R190-D374 IonicContact NH2-OD2 3.8Å; R190-D374 PolarHBondContact NH2-OD2 2.85Å; I370-D374 HydrophobicContact CG2-CB 4.17Å; T371-D374 PolarHBondContact O-N 2.89Å

Retrieved 374 of 374 residues in 530.7 ms (Link to these results)

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