G4VG91_SCHMA Loading...

N-alpha-acetyltransferase 40

AlphaFold DB , UniProt , Accession G4VG91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 235 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
1M36.6Very low54Low243 Ų243147.9 Ų147.9100%1.19776%0.759SS**  0104.60-70.8-178.1-178.900108.5R3M1-R3 PolarHBondContact O-N 2.73Å
2G45.6Very low56.7Low79 Ų79138.9 Ų138.981%0.81473%0.73SS**  trans-68.7117.7179.400000109.8H4G2-H4 PolarHBondContact O-N 2.9Å
3R41.8Very low59.1Low245 Ų245136.7 Ų136.793%0.92572%0.718SS**  trans-62.4103.2168.1-74.6-178.7-178.2163.10.6106.9M1 C5M1-R3 PolarHBondContact O-N 2.73Å; R3-C5 VanDerWaalsContact C-N 3.26Å; R3-C5 PolarHBondContact O-N 3.01Å
4H47.2Very low61.3Low179 Ų179132.5 Ų132.583%0.82970%0.696SS**  trans-62.997.2167-116.211.1000106.8G2 I6G2-H4 PolarHBondContact O-N 2.9Å; H4-I6 PolarHBondContact O-N 3.16Å
5C47.5Very low63.3Low115 Ų115128.7 Ų128.778%0.77769%0.685SS**  trans-71.786.7172.5-1600000106.2R3 K7R3-C5 VanDerWaalsContact C-N 3.26Å; R3-C5 PolarHBondContact O-N 3.01Å; C5-K7 PolarHBondContact O-N 3.08Å
6I50Low65.1Low148 Ų148129.9 Ų129.976%0.75968%0.678SS**  trans-66.692.4170.5-58.4171.9000105H4 S8H4-I6 PolarHBondContact O-N 3.16Å; I6-S8 PolarHBondContact O-N 3.14Å
7K52.4Low66.8Low171 Ų171129.5 Ų129.574%0.74367%0.669SS**  trans-53.7119.4164-73.9-175.4177.2-179.20105.6C5 R9C5-K7 PolarHBondContact O-N 3.08Å; K7-R9 PolarHBondContact O-N 3.37Å
8S58.4Low68.3Low76 Ų76126.8 Ų126.853%0.53165%0.652SS.*  trans-51.9141.6177.7670000108.6I6 N10 G11 G12I6-S8 PolarHBondContact O-N 3.14Å; S8-N10 PolarHBondContact O-N 3.13Å; S8-G11 PolarHBondContact O-N 3.21Å; S8-G11 PolarHBondContact OG-N 2.96Å; S8-G12 PolarHBondContact O-N 3.16Å
9R63.7Low69.8Low228 Ų228123.3 Ų123.386%0.8664%0.639SS**Hα-helixtrans-47.8-35.6179.6-85.4-176.5172.6179.4-2111.9K7K7-R9 PolarHBondContact O-N 3.37Å
10N73.6Confident71.1Confident113 Ų113121.4 Ų121.460%0.60463%0.626SS**Hα-helixtrans-69.4-38.4178.1-65.52.9000112.9S8 G12 L13 I14S8-N10 PolarHBondContact O-N 3.13Å; N10-G12 VanDerWaalsContact C-N 3.3Å; N10-G12 PolarHBondContact O-N 3.25Å; N10-L13 PolarHBondContact O-N 3.28Å; N10-I14 WeakPolarHBondContact O-CB 3.4Å; N10-I14 VanDerWaalsContact O-CG1 3.29Å; N10-I14 WeakPolarHBondContact O-CG1 3.29Å; N10-I14 PolarHBondContact O-N 3.39Å
11G77.4Confident72.3Confident30 Ų30115.7 Ų115.731%0.30960%0.597SS.*Hα-helixtrans-62.7-35179.100000113.3S8 S15S8-G11 PolarHBondContact O-N 3.21Å; S8-G11 PolarHBondContact OG-N 2.96Å; G11-S15 WeakPolarHBondContact O-CB 3.35Å; G11-S15 PolarHBondContact O-N 3.32Å
12G86Confident75.2Confident40 Ų40110.2 Ų110.241%0.41257%0.566SS.*Hα-helixtrans-65.7-45.5174.500000112.8S8 N10 S15 Y16S8-G12 PolarHBondContact O-N 3.16Å; N10-G12 VanDerWaalsContact C-N 3.3Å; N10-G12 PolarHBondContact O-N 3.25Å; G12-S15 PolarHBondContact O-N 3.42Å; G12-Y16 PolarHBondContact O-N 2.75Å
13L88.6Confident77.6Confident110 Ų110110.6 Ų110.658%0.57655%0.547SS*.Hα-helixtrans-65.9-42.4177.8-69.7170.6000112.2N10 Y16 K17N10-L13 PolarHBondContact O-N 3.28Å; L13-Y16 PolarHBondContact O-N 2.78Å; L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.09Å
14I89.9Confident80.3Confident78 Ų78102 Ų10240%0.452%0.519SS..Hα-helixtrans-59.5-50.5175.3-72.6164.2000110.3N10 Y16 K17 K18 E133N10-I14 WeakPolarHBondContact O-CB 3.4Å; N10-I14 VanDerWaalsContact O-CG1 3.29Å; N10-I14 WeakPolarHBondContact O-CG1 3.29Å; N10-I14 PolarHBondContact O-N 3.39Å; I14-Y16 PolarHBondContact O-N 2.95Å; I14-K17 PolarHBondContact O-N 2.97Å; I14-K18 HydrophobicContact CG2-CD 4.39Å; I14-K18 HydrophobicContact CG2-CG 4.47Å; I14-K18 WeakPolarHBondContact O-CG 3.25Å; I14-K18 PolarHBondContact O-N 2.98Å; I14-E133 HydrophobicContact CG2-CG 4.3Å; I14-E133 VanDerWaalsContact CG2-OE1 3.24Å; I14-E133 WeakPolarHBondContact CG2-OE1 3.19Å
15S91Very high82.7Confident76 Ų7693.9 Ų93.953%0.53148%0.482SS..Hα-helixtrans-58.7-37.7178.3-175.30000112.4G11 G12 S19G11-S15 WeakPolarHBondContact O-CB 3.35Å; G11-S15 PolarHBondContact O-N 3.32Å; G12-S15 PolarHBondContact O-N 3.42Å; S15-S19 PolarHBondContact O-N 3.15Å; S15-S19 VanDerWaalsContact O-N 3.11Å
16Y92.6Very high85.1Confident147 Ų14792 Ų9258%0.57647%0.465SS*.Hα-helixtrans-65.5-47.3176.2176-97.6000111.9G12 L13 I14 S19 K20G12-Y16 PolarHBondContact O-N 2.75Å; L13-Y16 PolarHBondContact O-N 2.78Å; I14-Y16 PolarHBondContact O-N 2.95Å; Y16-S19 WeakPolarHBondContact O-CB 3.19Å; Y16-S19 PolarHBondContact O-N 3.01Å; Y16-K20 HydrophobicContact CD1-CG 4.43Å; Y16-K20 HydrophobicContact CE1-CG 3.95Å; Y16-K20 HydrophobicContact CE2-CG 4.28Å; Y16-K20 PolarHBondContact O-N 2.75Å; Y16-K20 WeakPolarHBondContact OH-CE 3.44Å
17K93.1Very high87.3Confident123 Ų12388.3 Ų88.354%0.53545%0.452SS..Hα-helixtrans-61-45.6177.5-68.8-177.6174.9-173.20112L13 I14 S19 K20 A21 E133L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.09Å; I14-K17 PolarHBondContact O-N 2.97Å; K17-S19 VanDerWaalsContact C-N 3.28Å; K17-S19 PolarHBondContact O-N 2.97Å; K17-K20 PolarHBondContact O-N 2.8Å; K17-K20 VanDerWaalsContact O-N 3.12Å; K17-A21 PolarHBondContact O-N 2.87Å; K17-E133 HydrophobicContact CB-CB 3.82Å; K17-E133 HydrophobicContact CB-CG 3.89Å; K17-E133 HydrophobicContact CD-CB 4.35Å; K17-E133 HydrophobicContact CD-CG 4.38Å
18K94.5Very high89.4Confident82 Ų8280.3 Ų80.336%0.35742%0.417SS..Hα-helixtrans-57.7-40.2174.9-65.3-161.4176.7-160.20112.1I14 K22 E132 E133I14-K18 HydrophobicContact CG2-CD 4.39Å; I14-K18 HydrophobicContact CG2-CG 4.47Å; I14-K18 WeakPolarHBondContact O-CG 3.25Å; I14-K18 PolarHBondContact O-N 2.98Å; K18-K22 WeakPolarHBondContact O-CB 3.13Å; K18-K22 PolarHBondContact O-N 3.22Å; K18-E132 IonicContact NZ-OE2 3.06Å; K18-E132 PolarHBondContact NZ-OE2 2.79Å; K18-E133 WeakPolarHBondContact CE-OE1 3.4Å; K18-E133 HydrophobicContact CG-CB 4.44Å; K18-E133 HydrophobicContact CG-CG 3.83Å; K18-E133 IonicContact NZ-OE1 2.77Å
19S95.8Very high91.3Very high59 Ų5979.6 Ų79.641%0.41341%0.407SS..Hα-helixtrans-63.2-45.2175.5-167.60000111.9S15 Y16 K17 K22 E23S15-S19 PolarHBondContact O-N 3.15Å; S15-S19 VanDerWaalsContact O-N 3.11Å; Y16-S19 WeakPolarHBondContact O-CB 3.19Å; Y16-S19 PolarHBondContact O-N 3.01Å; K17-S19 VanDerWaalsContact C-N 3.28Å; K17-S19 PolarHBondContact O-N 2.97Å; S19-K22 PolarHBondContact O-N 3.34Å; S19-E23 WeakPolarHBondContact O-CG 3.22Å; S19-E23 PolarHBondContact O-N 3.02Å
20K95.3Very high92.8Very high86 Ų8676.6 Ų76.637%0.37440%0.401SS..Hα-helixtrans-65.6-42179.3-73.6-72.6162.6-1550112.7Y16 K17 K22 E23 L24Y16-K20 HydrophobicContact CD1-CG 4.43Å; Y16-K20 HydrophobicContact CE1-CG 3.95Å; Y16-K20 HydrophobicContact CE2-CG 4.28Å; Y16-K20 PolarHBondContact O-N 2.75Å; Y16-K20 WeakPolarHBondContact OH-CE 3.44Å; K17-K20 PolarHBondContact O-N 2.8Å; K17-K20 VanDerWaalsContact O-N 3.12Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 2.78Å; K20-E23 IonicContact NZ-OE1 3.74Å; K20-E23 IonicContact NZ-OE2 2.75Å; K20-E23 PolarHBondContact NZ-OE2 3.28Å; K20-E23 PolarHBondContact O-N 3.46Å; K20-L24 PolarHBondContact O-N 3.41Å; K20-L24 VanDerWaalsContact O-N 3.15Å
21A96.4Very high93.8Very high2 Ų271.8 Ų71.82%0.01738%0.375CS..Hα-helixtrans-57.4-46.7172.400000111.5K17 E23 L24 V25 E133 P135K17-A21 PolarHBondContact O-N 2.87Å; A21-E23 PolarHBondContact O-N 2.89Å; A21-L24 PolarHBondContact O-N 3.04Å; A21-V25 WeakPolarHBondContact O-CG2 3.47Å; A21-V25 PolarHBondContact O-N 2.82Å; A21-E133 WeakPolarHBondContact CB-O 3.45Å; A21-P135 HydrophobicContact CB-CB 4.28Å; A21-P135 HydrophobicContact CB-CG 4.37Å
22K97.6Very high94.4Very high127 Ų12774.8 Ų74.855%0.55239%0.391SS*.Hα-helixtrans-62.9-38.9178.4-172.2174.9-177.8176.50113K18 S19 K20 N26K18-K22 WeakPolarHBondContact O-CB 3.13Å; K18-K22 PolarHBondContact O-N 3.22Å; S19-K22 PolarHBondContact O-N 3.34Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 2.78Å; K22-N26 VanDerWaalsContact O-CB 3.25Å; K22-N26 WeakPolarHBondContact O-CB 3.17Å; K22-N26 PolarHBondContact O-N 3.47Å; K22-N26 PolarHBondContact O-ND2 2.7Å
23E97.7Very high94.7Very high88 Ų8874.5 Ų74.541%0.41138%0.382SS..Hα-helixtrans-60-44.9174.5-75.8166.6-152.400111.8S19 K20 A21 S27S19-E23 WeakPolarHBondContact O-CG 3.22Å; S19-E23 PolarHBondContact O-N 3.02Å; K20-E23 IonicContact NZ-OE1 3.74Å; K20-E23 IonicContact NZ-OE2 2.75Å; K20-E23 PolarHBondContact NZ-OE2 3.28Å; K20-E23 PolarHBondContact O-N 3.46Å; A21-E23 PolarHBondContact O-N 2.89Å; E23-S27 WeakPolarHBondContact O-CB 3.39Å; E23-S27 PolarHBondContact O-N 3.41Å; E23-S27 PolarHBondContact O-OG 3.34Å
24L97Very high94.7Very high64 Ų6469.4 Ų69.434%0.33536%0.356SS..Hα-helixtrans-65.2-48177.7-72.7169.8000111.6K20 A21 N26 S27 A28 P135 N169 M170K20-L24 PolarHBondContact O-N 3.41Å; K20-L24 VanDerWaalsContact O-N 3.15Å; A21-L24 PolarHBondContact O-N 3.04Å; L24-N26 PolarHBondContact O-N 3.18Å; L24-S27 WeakPolarHBondContact O-CB 3.49Å; L24-S27 PolarHBondContact O-N 3.47Å; L24-S27 VanDerWaalsContact O-N 3.1Å; L24-A28 PolarHBondContact O-N 3.23Å; L24-P135 HydrophobicContact CB-CB 4.12Å; L24-P135 HydrophobicContact CB-CG 4.39Å; L24-P135 HydrophobicContact CD1-CB 4.46Å; L24-P135 HydrophobicContact CD1-CG 3.82Å; L24-N169 HydrophobicContact CD2-CB 4.32Å; L24-M170 HydrophobicContact CB-CE 3.97Å
25V98.1Very high94.4Very high8 Ų867.4 Ų67.45%0.04835%0.347CS..Hα-helixtrans-62.6-41.5178.6169.30000111.7A21 S27 A28 N29 F128 E129 P135 M170A21-V25 WeakPolarHBondContact O-CG2 3.47Å; A21-V25 PolarHBondContact O-N 2.82Å; V25-S27 VanDerWaalsContact C-N 3.28Å; V25-S27 PolarHBondContact O-N 2.93Å; V25-A28 PolarHBondContact O-N 3.49Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.46Å; V25-N29 WeakPolarHBondContact O-CB 3.45Å; V25-N29 PolarHBondContact O-N 3.02Å; V25-N29 PolarHBondContact O-ND2 3.35Å; V25-N29 VanDerWaalsContact O-ND2 3.13Å; V25-F128 HydrophobicContact CG1-CB 4.33Å; V25-F128 WeakPolarHBondContact CG1-O 3.45Å; V25-E129 VanDerWaalsContact CG2-O 3.22Å; V25-E129 WeakPolarHBondContact CG2-O 3.45Å; V25-P135 HydrophobicContact CG2-CB 3.75Å; V25-M170 HydrophobicContact CG2-SD 4.35Å
26N98Very high94.1Very high77 Ų7772 Ų7241%0.41236%0.358SS..Hα-helixtrans-64.1-34.8174.8-74.3-20.8000112.4K22 L24 K30K22-N26 VanDerWaalsContact O-CB 3.25Å; K22-N26 WeakPolarHBondContact O-CB 3.17Å; K22-N26 PolarHBondContact O-N 3.47Å; K22-N26 PolarHBondContact O-ND2 2.7Å; L24-N26 PolarHBondContact O-N 3.18Å; N26-K30 VanDerWaalsContact O-CG 3.3Å; N26-K30 WeakPolarHBondContact O-CG 3.46Å; N26-K30 PolarHBondContact O-N 3.26Å
27S96.5Very high94Very high70 Ų7069.7 Ų69.749%0.4935%0.352SS..Hα-helixtrans-69.7-46.2176.5-57.40000110.7E23 L24 V25 N29 K30E23-S27 WeakPolarHBondContact O-CB 3.39Å; E23-S27 PolarHBondContact O-N 3.41Å; E23-S27 PolarHBondContact O-OG 3.34Å; L24-S27 WeakPolarHBondContact O-CB 3.49Å; L24-S27 PolarHBondContact O-N 3.47Å; L24-S27 VanDerWaalsContact O-N 3.1Å; V25-S27 VanDerWaalsContact C-N 3.28Å; V25-S27 PolarHBondContact O-N 2.93Å; S27-N29 VanDerWaalsContact C-N 3.32Å; S27-N29 PolarHBondContact O-N 3.45Å; S27-K30 WeakPolarHBondContact O-CB 3.44Å; S27-K30 PolarHBondContact O-N 2.93Å; S27-K30 VanDerWaalsContact O-N 3.16Å
28A96.6Very high93.7Very high2 Ų265.4 Ų65.42%0.01734%0.335CS..Hα-helixtrans-58.5-41.7174.500000112.3L24 V25 K30 I31 F128 L168 M170L24-A28 PolarHBondContact O-N 3.23Å; V25-A28 PolarHBondContact O-N 3.49Å; A28-K30 VanDerWaalsContact C-N 3.26Å; A28-K30 PolarHBondContact O-N 3.27Å; A28-I31 VanDerWaalsContact O-CB 3.32Å; A28-I31 WeakPolarHBondContact O-CB 3.35Å; A28-I31 WeakPolarHBondContact O-CG1 3.44Å; A28-I31 PolarHBondContact O-N 2.74Å; A28-F128 HydrophobicContact CB-CB 4.06Å; A28-F128 HydrophobicContact CB-CD1 4.13Å; A28-F128 HydrophobicContact CB-CD2 3.73Å; A28-F128 HydrophobicContact CB-CE2 4.19Å; A28-F128 HydrophobicContact CB-CG 3.69Å; A28-L168 HydrophobicContact CB-CD1 4.1Å; A28-L168 HydrophobicContact CB-CD2 4.45Å; A28-M170 HydrophobicContact CB-CE 4.31Å
29N97.1Very high93.3Very high61 Ų6168.9 Ų68.933%0.32636%0.357SS..Hα-helixtrans-71.4-15.9179.8-76.7-38.4000114.4V25 S27 I31 F128V25-N29 WeakPolarHBondContact CG1-ND2 3.46Å; V25-N29 WeakPolarHBondContact O-CB 3.45Å; V25-N29 PolarHBondContact O-N 3.02Å; V25-N29 PolarHBondContact O-ND2 3.35Å; V25-N29 VanDerWaalsContact O-ND2 3.13Å; S27-N29 VanDerWaalsContact C-N 3.32Å; S27-N29 PolarHBondContact O-N 3.45Å; N29-I31 VanDerWaalsContact C-N 3.33Å; N29-F128 PolarHBondContact ND2-O 3.41Å
30K95.8Very high92.8Very high166 Ų16667.3 Ų67.372%0.72234%0.344SS*.Hα-helixtrans-79.1-15.9173.4-75.5168.7-175.8179.20113.3N26 S27 A28 S32N26-K30 VanDerWaalsContact O-CG 3.3Å; N26-K30 WeakPolarHBondContact O-CG 3.46Å; N26-K30 PolarHBondContact O-N 3.26Å; S27-K30 WeakPolarHBondContact O-CB 3.44Å; S27-K30 PolarHBondContact O-N 2.93Å; S27-K30 VanDerWaalsContact O-N 3.16Å; A28-K30 VanDerWaalsContact C-N 3.26Å; A28-K30 PolarHBondContact O-N 3.27Å; K30-S32 PolarHBondContact O-N 2.9Å
31I94.5Very high92.3Very high12 Ų1266.5 Ų66.56%0.06235%0.349CS..  trans-59.6135.8179.1-67174.5000109.9A28 N29 L34 E37 L38 K60 W106 L168A28-I31 VanDerWaalsContact O-CB 3.32Å; A28-I31 WeakPolarHBondContact O-CB 3.35Å; A28-I31 WeakPolarHBondContact O-CG1 3.44Å; A28-I31 PolarHBondContact O-N 2.74Å; N29-I31 VanDerWaalsContact C-N 3.33Å; I31-L34 HydrophobicContact CB-CD2 4.45Å; I31-L34 HydrophobicContact CD1-CD2 4.09Å; I31-L34 HydrophobicContact CG2-CD2 3.85Å; I31-L34 HydrophobicContact CG2-CG 4.05Å; I31-E37 HydrophobicContact CG2-CB 4.26Å; I31-E37 HydrophobicContact CG2-CG 4.43Å; I31-L38 HydrophobicContact CD1-CD2 4.27Å; I31-K60 WeakPolarHBondContact O-CE 3.49Å; I31-K60 PolarHBondContact O-NZ 3.25Å; I31-W106 HydrophobicContact CG2-CH2 4.36Å; I31-W106 HydrophobicContact CG2-CZ2 4.21Å; I31-W106 WeakPolarHBondContact O-CZ2 3.15Å; I31-L168 HydrophobicContact CD1-CD1 4.3Å; I31-L168 HydrophobicContact CD1-CD2 3.35Å; I31-L168 HydrophobicContact CD1-CG 4.45Å
32S91.4Very high91.9Very high92 Ų9267.9 Ų67.964%0.64336%0.356SS*.SBendtrans-98.5-34.5-179.769.60000111.8K30 E37K30-S32 PolarHBondContact O-N 2.9Å; S32-E37 WeakPolarHBondContact CA-OE1 3.32Å; S32-E37 PolarHBondContact N-OE1 3.43Å; S32-E37 PolarHBondContact OG-OE1 3.42Å
33C90.5Very high91.3Very high35 Ų3569.4 Ų69.424%0.23637%0.365CS..  trans-142.698.4179.9-173.90000110.4T35 K36 E37C33-T35 VanDerWaalsContact C-N 3.33Å; C33-T35 PolarHBondContact O-N 3.37Å; C33-K36 HydrophobicContact CB-CB 4.29Å; C33-K36 HydrophobicContact CB-CD 4.49Å; C33-K36 PolarHBondContact O-N 2.98Å; C33-K36 VanDerWaalsContact SG-CG 3.58Å; C33-E37 PolarHBondContact N-OE1 2.84Å; C33-E37 WeakPolarHBondContact O-CB 3.49Å; C33-E37 WeakPolarHBondContact O-CG 3.17Å; C33-E37 PolarHBondContact O-N 3.31Å
34L89.7Confident90.7Very high2 Ų266 Ų661%0.0135%0.35CS..Hα-helixtrans-56.2-43.6-175.5-79.8170.4000113.2I31 L38 W106 F126 F128 I164 L168I31-L34 HydrophobicContact CB-CD2 4.45Å; I31-L34 HydrophobicContact CD1-CD2 4.09Å; I31-L34 HydrophobicContact CG2-CD2 3.85Å; I31-L34 HydrophobicContact CG2-CG 4.05Å; L34-L38 HydrophobicContact CB-CD1 4.41Å; L34-L38 HydrophobicContact CD2-CD1 3.58Å; L34-L38 HydrophobicContact CD2-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 WeakPolarHBondContact O-CG 3.35Å; L34-L38 PolarHBondContact O-N 3.27Å; L34-W106 HydrophobicContact CB-CH2 4.33Å; L34-W106 HydrophobicContact CB-CZ3 4.28Å; L34-W106 HydrophobicContact CD1-CB 4.39Å; L34-W106 HydrophobicContact CD1-CD2 3.35Å; L34-W106 HydrophobicContact CD1-CE3 3.53Å; L34-W106 HydrophobicContact CD1-CG 3.76Å; L34-W106 HydrophobicContact CD1-CH2 4.13Å; L34-W106 HydrophobicContact CD1-CZ2 3.98Å; L34-W106 HydrophobicContact CD1-CZ3 3.92Å; L34-W106 HydrophobicContact CD2-CZ2 4.47Å; L34-W106 HydrophobicContact CG-CD2 4.03Å; L34-W106 HydrophobicContact CG-CE3 4.04Å; L34-W106 HydrophobicContact CG-CH2 3.72Å; L34-W106 HydrophobicContact CG-CZ2 3.69Å; L34-W106 HydrophobicContact CG-CZ3 3.89Å; L34-F126 HydrophobicContact CD1-CE2 4.08Å; L34-F126 HydrophobicContact CD1-CZ 3.64Å; L34-F128 HydrophobicContact CD1-CE2 4.48Å; L34-F128 HydrophobicContact CD1-CZ 4.4Å; L34-F128 HydrophobicContact CD2-CE2 4.15Å; L34-F128 HydrophobicContact CD2-CZ 4.01Å; L34-I164 HydrophobicContact CD2-CG2 4.32Å; L34-L168 HydrophobicContact CD2-CD1 3.93Å
35T83.4Confident90.2Very high36 Ų3664.9 Ų64.922%0.22135%0.346CS..Hα-helixtrans-66.4-44.9-174.854.30000112.3C33 N39 I40 L42 C58C33-T35 VanDerWaalsContact C-N 3.33Å; C33-T35 PolarHBondContact O-N 3.37Å; T35-N39 WeakPolarHBondContact O-CA 3.27Å; T35-N39 PolarHBondContact O-N 3.04Å; T35-N39 VanDerWaalsContact O-N 3.09Å; T35-I40 PolarHBondContact O-N 3.27Å; T35-L42 HydrophobicContact CG2-CD1 3.33Å; T35-L42 HydrophobicContact CG2-CD2 3.95Å; T35-L42 HydrophobicContact CG2-CG 3.47Å; T35-L42 VanDerWaalsContact CG2-CG 3.47Å; T35-C58 HydrophobicContact CG2-CB 4.03Å
36K85.4Confident89.6Confident174 Ų17471.3 Ų71.376%0.75738%0.38SS*.Hα-helixtrans-71.3-44.2179.2-67.2-178.4-176.2-1800111.9C33 L38C33-K36 HydrophobicContact CB-CB 4.29Å; C33-K36 HydrophobicContact CB-CD 4.49Å; C33-K36 PolarHBondContact O-N 2.98Å; C33-K36 VanDerWaalsContact SG-CG 3.58Å; K36-L38 VanDerWaalsContact C-N 3.34Å
37E88.6Confident88.9Confident98 Ų9874.5 Ų74.546%0.45839%0.388SS..Hα-helixtrans-74.1-26-176-67.2179.7-127.600112.4I31 S32 C33I31-E37 HydrophobicContact CG2-CB 4.26Å; I31-E37 HydrophobicContact CG2-CG 4.43Å; S32-E37 WeakPolarHBondContact CA-OE1 3.32Å; S32-E37 PolarHBondContact N-OE1 3.43Å; S32-E37 PolarHBondContact OG-OE1 3.42Å; C33-E37 PolarHBondContact N-OE1 2.84Å; C33-E37 WeakPolarHBondContact O-CB 3.49Å; C33-E37 WeakPolarHBondContact O-CG 3.17Å; C33-E37 PolarHBondContact O-N 3.31Å
38L87.2Confident88.3Confident33 Ų3372 Ų7217%0.17337%0.368CS..Hα-helixtrans-103.8-2.9-179.5-54.8177.2000114.6I31 L34 K36 I40 I164 A167 L168I31-L38 HydrophobicContact CD1-CD2 4.27Å; L34-L38 HydrophobicContact CB-CD1 4.41Å; L34-L38 HydrophobicContact CD2-CD1 3.58Å; L34-L38 HydrophobicContact CD2-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 WeakPolarHBondContact O-CG 3.35Å; L34-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.34Å; L38-I40 HydrophobicContact CB-CD1 3.59Å; L38-I40 HydrophobicContact CB-CG1 3.69Å; L38-I40 HydrophobicContact CD1-CD1 3.73Å; L38-I40 HydrophobicContact CG-CD1 4.32Å; L38-I40 PolarHBondContact O-N 3.36Å; L38-I164 HydrophobicContact CD1-CG2 4.23Å; L38-A167 HydrophobicContact CB-CB 4.16Å; L38-A167 HydrophobicContact CD1-CB 4.22Å; L38-A167 HydrophobicContact CD2-CB 4.13Å; L38-A167 HydrophobicContact CG-CB 4.4Å; L38-L168 HydrophobicContact CD1-CD1 3.91Å; L38-L168 HydrophobicContact CD1-CD2 4.04Å; L38-L168 HydrophobicContact CD1-CG 3.77Å; L38-L168 HydrophobicContact CD2-CD2 3.42Å; L38-L168 VanDerWaalsContact CD2-CD2 3.42Å; L38-L168 HydrophobicContact CD2-CG 3.95Å; L38-L168 HydrophobicContact CG-CD2 4.32Å
39N86.2Confident87.5Confident154 Ų15474.1 Ų74.182%0.82438%0.379SS*.THydrogen-bonded Turntrans5140.4-173.9-166.641000112.5T35T35-N39 WeakPolarHBondContact O-CA 3.27Å; T35-N39 PolarHBondContact O-N 3.04Å; T35-N39 VanDerWaalsContact O-N 3.09Å
40I85.2Confident86.2Confident26 Ų2676.5 Ų76.513%0.13340%0.396CS..  trans-94.5121.6179.5-66.9173.3000108.5T35 L38 L42 L160 I164 A167T35-I40 PolarHBondContact O-N 3.27Å; L38-I40 HydrophobicContact CB-CD1 3.59Å; L38-I40 HydrophobicContact CB-CG1 3.69Å; L38-I40 HydrophobicContact CD1-CD1 3.73Å; L38-I40 HydrophobicContact CG-CD1 4.32Å; L38-I40 PolarHBondContact O-N 3.36Å; I40-L42 PolarHBondContact O-N 3.27Å; I40-L160 HydrophobicContact CG2-CD1 3.49Å; I40-L160 VanDerWaalsContact CG2-CD1 3.49Å; I40-I164 HydrophobicContact CD1-CB 4.16Å; I40-I164 HydrophobicContact CD1-CG1 3.56Å; I40-A167 HydrophobicContact CD1-CB 4.07Å
41S86.2Confident85.1Confident69 Ų6975.2 Ų75.248%0.48340%0.397SS..  trans-70.3128.6171.7-175.40000110.3E43S41-E43 VanDerWaalsContact C-N 3.31Å; S41-E43 VanDerWaalsContact OG-CB 3.25Å; S41-E43 WeakPolarHBondContact OG-CB 3.43Å; S41-E43 VanDerWaalsContact OG-CG 3.29Å; S41-E43 WeakPolarHBondContact OG-CG 3.41Å; S41-E43 PolarHBondContact OG-N 2.94Å; S41-E43 VanDerWaalsContact OG-N 3.08Å
42L86.5Confident84.2Confident31 Ų3177.2 Ų77.216%0.16241%0.408CS..  trans-94.18167-62.5-170.9000111.9T35 I40 I44 V56 C58 L160T35-L42 HydrophobicContact CG2-CD1 3.33Å; T35-L42 HydrophobicContact CG2-CD2 3.95Å; T35-L42 HydrophobicContact CG2-CG 3.47Å; T35-L42 VanDerWaalsContact CG2-CG 3.47Å; I40-L42 PolarHBondContact O-N 3.27Å; L42-I44 PolarHBondContact O-N 3.28Å; L42-V56 HydrophobicContact CB-CB 4.5Å; L42-V56 HydrophobicContact CB-CG1 4.49Å; L42-V56 HydrophobicContact CD1-CG1 4.37Å; L42-V56 HydrophobicContact CD2-CG1 4.47Å; L42-C58 HydrophobicContact CD1-CB 3.89Å; L42-L160 HydrophobicContact CD2-CD1 3.73Å; L42-L160 HydrophobicContact CD2-CD2 3.49Å; L42-L160 VanDerWaalsContact CD2-CD2 3.49Å; L42-L160 HydrophobicContact CD2-CG 4.22Å
43E86.7Confident83.9Confident159 Ų15976.7 Ų76.774%0.74340%0.401SS*.PPolyproline II helixtrans-62.1127.6179.1-68.2172.4172.100109.9S41 P45S41-E43 VanDerWaalsContact C-N 3.31Å; S41-E43 VanDerWaalsContact OG-CB 3.25Å; S41-E43 WeakPolarHBondContact OG-CB 3.43Å; S41-E43 VanDerWaalsContact OG-CG 3.29Å; S41-E43 WeakPolarHBondContact OG-CG 3.41Å; S41-E43 PolarHBondContact OG-N 2.94Å; S41-E43 VanDerWaalsContact OG-N 3.08Å; E43-P45 WeakPolarHBondContact O-CD 3.34Å
44I84.2Confident83.9Confident17 Ų1775.3 Ų75.39%0.08739%0.391CS..PPolyproline II helixtrans-72.4127.2173.7-68.6-56.9000108L42 L48 N49 I54 V56 F156L42-I44 PolarHBondContact O-N 3.28Å; I44-L48 HydrophobicContact CG2-CB 3.48Å; I44-L48 VanDerWaalsContact CG2-CB 3.48Å; I44-L48 HydrophobicContact CG2-CD1 4.07Å; I44-L48 HydrophobicContact CG2-CG 4.28Å; I44-N49 WeakPolarHBondContact CG2-OD1 3.48Å; I44-I54 HydrophobicContact CD1-CG2 4.15Å; I44-I54 HydrophobicContact CG1-CB 4.2Å; I44-I54 HydrophobicContact CG1-CG2 3.98Å; I44-I54 WeakPolarHBondContact CG1-O 3.41Å; I44-I54 HydrophobicContact CG2-CB 4.39Å; I44-V56 HydrophobicContact CD1-CB 4.38Å; I44-V56 HydrophobicContact CD1-CG2 3.43Å; I44-V56 VanDerWaalsContact CD1-CG2 3.43Å; I44-V56 HydrophobicContact CG1-CG2 4.05Å; I44-F156 HydrophobicContact CD1-CD1 3.7Å; I44-F156 HydrophobicContact CD1-CE1 3.33Å; I44-F156 HydrophobicContact CD1-CE2 4.23Å; I44-F156 HydrophobicContact CD1-CG 4.32Å; I44-F156 HydrophobicContact CD1-CZ 3.62Å
45P86.2Confident84Confident40 Ų4078 Ų7826%0.2641%0.407SS..PPolyproline II helixtrans-55.9139.9172.2-26.933.4000112.4E43 Y47 L48 F156E43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-Y47 HydrophobicContact CB-CD1 3.47Å; P45-Y47 VanDerWaalsContact CB-CD1 3.47Å; P45-Y47 HydrophobicContact CB-CE1 3.13Å; P45-Y47 HydrophobicContact CB-CG 4.35Å; P45-Y47 HydrophobicContact CG-CE1 3.79Å; P45-Y47 PolarHBondContact O-N 3.46Å; P45-L48 HydrophobicContact CG-CD1 4.47Å; P45-L48 WeakPolarHBondContact O-CB 3.36Å; P45-L48 PolarHBondContact O-N 2.96Å; P45-F156 HydrophobicContact CG-CD2 4.15Å; P45-F156 HydrophobicContact CG-CE2 4.35Å
46D85.3Confident84.5Confident143 Ų14377.2 Ų77.277%0.76540%0.402SS*.G310 helixtrans-51.9-34.8-175.4-64.1-27.4000113.8L48 N49D46-L48 PolarHBondContact O-N 3.17Å; D46-L48 VanDerWaalsContact O-N 3.15Å; D46-N49 PolarHBondContact O-N 3.04Å
47Y83.2Confident85Confident145 Ų14572.3 Ų72.357%0.56938%0.382SS*.G310 helixtrans-65.4-16.5179.671-99.6000114P45 V50 H152P45-Y47 HydrophobicContact CB-CD1 3.47Å; P45-Y47 VanDerWaalsContact CB-CD1 3.47Å; P45-Y47 HydrophobicContact CB-CE1 3.13Å; P45-Y47 HydrophobicContact CB-CG 4.35Å; P45-Y47 HydrophobicContact CG-CE1 3.79Å; P45-Y47 PolarHBondContact O-N 3.46Å; Y47-V50 WeakPolarHBondContact O-CG2 3.36Å; Y47-H152 HydrophobicContact CE2-CB 4.38Å
48L83.5Confident85.3Confident17 Ų1768.7 Ų68.79%0.08937%0.368CS..G310 helixtrans-88.7-18.8173.5-62.5-174.3000112.5I44 P45 D46 L151 H152 F156I44-L48 HydrophobicContact CG2-CB 3.48Å; I44-L48 VanDerWaalsContact CG2-CB 3.48Å; I44-L48 HydrophobicContact CG2-CD1 4.07Å; I44-L48 HydrophobicContact CG2-CG 4.28Å; P45-L48 HydrophobicContact CG-CD1 4.47Å; P45-L48 WeakPolarHBondContact O-CB 3.36Å; P45-L48 PolarHBondContact O-N 2.96Å; D46-L48 PolarHBondContact O-N 3.17Å; D46-L48 VanDerWaalsContact O-N 3.15Å; L48-L151 WeakPolarHBondContact CD2-O 3.3Å; L48-H152 HydrophobicContact CD2-CB 3.62Å; L48-F156 HydrophobicContact CD1-CB 3.75Å; L48-F156 HydrophobicContact CD1-CD2 4.3Å; L48-F156 HydrophobicContact CD1-CG 4.03Å
49N81Confident85.8Confident46 Ų4669.3 Ų69.325%0.24637%0.371CS..  trans-97.913.7-175.4-81.5-17.5000114.1I44 D46 N51 N52 I54I44-N49 WeakPolarHBondContact CG2-OD1 3.48Å; D46-N49 PolarHBondContact O-N 3.04Å; N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å; N49-N52 CarbonylContact C-O 3.57Å; N49-N52 VanDerWaalsContact CA-O 3.23Å; N49-N52 WeakPolarHBondContact CA-O 3.47Å; N49-N52 PolarHBondContact OD1-O 3.33Å; N49-I54 WeakPolarHBondContact OD1-CA 3.46Å; N49-I54 WeakPolarHBondContact OD1-CB 3.43Å; N49-I54 PolarHBondContact OD1-N 2.9Å
50V70.4Confident86.3Confident111 Ų11164.5 Ų64.567%0.67334%0.342SS*.SBendtrans-60.2-37.5-173.2178.90000112.9Y47Y47-V50 WeakPolarHBondContact O-CG2 3.36Å
51N72.5Confident86.9Confident139 Ų13963.5 Ų63.574%0.74334%0.338SS*.SBendtrans-114.6-22.3-176.6-64.8-30.6000113.9N49N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å
52N75.2Confident87.3Confident55 Ų5563.5 Ų63.529%0.29434%0.338SS..SBendtrans-141.5138.9-173.3-70.5-50.9000108.2N49 I54N49-N52 CarbonylContact C-O 3.57Å; N49-N52 VanDerWaalsContact CA-O 3.23Å; N49-N52 WeakPolarHBondContact CA-O 3.47Å; N49-N52 PolarHBondContact OD1-O 3.33Å; N52-I54 HydrophobicContact CB-CD1 3.98Å; N52-I54 HydrophobicContact CB-CG1 4.38Å; N52-I54 PolarHBondContact O-N 3.2Å
53V85.4Confident87.8Confident81 Ų8169.3 Ų69.349%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-80.7102.6171.2176.40000107.8T55 Q113V53-T55 HydrophobicContact CG1-CG2 4.45Å; V53-Q113 HydrophobicContact CB-CB 4.06Å; V53-Q113 HydrophobicContact CG1-CB 4.22Å; V53-Q113 PolarHBondContact O-N 3.11Å
54I90.5Very high88.4Confident5 Ų562.8 Ų62.83%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-91.6132175.5-55.4-59.2000109.4I44 N49 N52 C110 R111 C112 F148 I153I44-I54 HydrophobicContact CD1-CG2 4.15Å; I44-I54 HydrophobicContact CG1-CB 4.2Å; I44-I54 HydrophobicContact CG1-CG2 3.98Å; I44-I54 WeakPolarHBondContact CG1-O 3.41Å; I44-I54 HydrophobicContact CG2-CB 4.39Å; N49-I54 WeakPolarHBondContact OD1-CA 3.46Å; N49-I54 WeakPolarHBondContact OD1-CB 3.43Å; N49-I54 PolarHBondContact OD1-N 2.9Å; N52-I54 HydrophobicContact CB-CD1 3.98Å; N52-I54 HydrophobicContact CB-CG1 4.38Å; N52-I54 PolarHBondContact O-N 3.2Å; I54-C110 WeakPolarHBondContact CG2-SG 3.37Å; I54-R111 CarbonylContact C-O 3.52Å; I54-R111 VanDerWaalsContact CA-O 3.28Å; I54-R111 WeakPolarHBondContact CA-O 3.42Å; I54-C112 HydrophobicContact CD1-CB 3.81Å; I54-F148 HydrophobicContact CD1-CD1 4.35Å; I54-F148 HydrophobicContact CD1-CE1 4.25Å; I54-I153 HydrophobicContact CD1-CD1 4.42Å; I54-I153 HydrophobicContact CG1-CD1 4.33Å
55T92Very high89Confident59 Ų5967.9 Ų67.936%0.36236%0.36SS..EExtended strand (participates in β ladder)trans-122.8152.1171.460.80000110.5V53 C110 R111V53-T55 HydrophobicContact CG1-CG2 4.45Å; T55-C110 WeakPolarHBondContact O-CA 3.25Å; T55-R111 PolarHBondContact N-O 3.12Å; T55-R111 PolarHBondContact O-N 3.01Å
56V93.8Very high89.5Confident19 Ų1970.8 Ų70.812%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-130.4132.4-178.4175.70000109.8L42 I44 I108 I109 C110 F156 L160L42-V56 HydrophobicContact CB-CB 4.5Å; L42-V56 HydrophobicContact CB-CG1 4.49Å; L42-V56 HydrophobicContact CD1-CG1 4.37Å; L42-V56 HydrophobicContact CD2-CG1 4.47Å; I44-V56 HydrophobicContact CD1-CB 4.38Å; I44-V56 HydrophobicContact CD1-CG2 3.43Å; I44-V56 VanDerWaalsContact CD1-CG2 3.43Å; I44-V56 HydrophobicContact CG1-CG2 4.05Å; V56-I108 HydrophobicContact CG1-CG2 3.28Å; V56-I109 WeakPolarHBondContact CA-O 3.49Å; V56-C110 HydrophobicContact CG2-CB 4.36Å; V56-F156 HydrophobicContact CG2-CE1 4.05Å; V56-L160 HydrophobicContact CG1-CD2 4.38Å
57E94.4Very high90.1Very high72 Ų7267.4 Ų67.434%0.33637%0.369SS..EExtended strand (participates in β ladder)trans-121.4150.6172.464.4-178.8155.700110.6I108 I109 R111E57-I108 CarbonylContact O-C 3.53Å; E57-I108 VanDerWaalsContact O-CA 3.26Å; E57-I108 WeakPolarHBondContact O-CA 3.36Å; E57-I109 HydrophobicContact CG-CB 3.83Å; E57-I109 PolarHBondContact N-O 3.3Å; E57-I109 PolarHBondContact O-N 2.96Å; E57-R111 IonicContact OE1-CZ 3.68Å; E57-R111 VanDerWaalsContact OE1-CZ 3.28Å; E57-R111 IonicContact OE1-NE 2.75Å; E57-R111 PolarHBondContact OE1-NE 2.96Å; E57-R111 IonicContact OE1-NH2 3.66Å; E57-R111 PolarHBondContact OE1-NH2 2.86Å
58C96.5Very high90.7Very high22 Ų2261.6 Ų61.615%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-123.6122.5175.2-174.90000110.3T35 L42 L107 I108T35-C58 HydrophobicContact CG2-CB 4.03Å; L42-C58 HydrophobicContact CD1-CB 3.89Å; C58-L107 CarbonylContact C-O 3.53Å; C58-L107 VanDerWaalsContact CA-O 3.31Å; C58-L107 WeakPolarHBondContact CA-O 3.44Å; C58-I108 HydrophobicContact CB-CG1 4.21Å
59I96.1Very high91.4Very high46 Ų4661.4 Ų61.424%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-148.8148.2-169.4-173.6163000110.5K63 V64 L107 I109I59-K63 HydrophobicContact CD1-CB 3.91Å; I59-K63 HydrophobicContact CG1-CB 3.83Å; I59-V64 HydrophobicContact CB-CG2 4.39Å; I59-V64 HydrophobicContact CD1-CG2 4.16Å; I59-V64 HydrophobicContact CG1-CG2 4.13Å; I59-V64 HydrophobicContact CG2-CG2 3.41Å; I59-V64 VanDerWaalsContact CG2-CG2 3.41Å; I59-L107 HydrophobicContact CG2-CB 4.38Å; I59-L107 PolarHBondContact N-O 2.88Å; I59-L107 PolarHBondContact O-N 3.19Å; I59-I109 HydrophobicContact CG2-CD1 4.18Å
60K96.9Very high92.2Very high52 Ų5262.9 Ų62.923%0.22636%0.356CS..EExtended strand (participates in β ladder)trans-66.4136.7171-69-169.1178.6-177.10109.5I31 S62 K63 W106I31-K60 WeakPolarHBondContact O-CE 3.49Å; I31-K60 PolarHBondContact O-NZ 3.25Å; K60-S62 PolarHBondContact O-N 3.45Å; K60-S62 VanDerWaalsContact O-N 3.12Å; K60-K63 HydrophobicContact CB-CG 4.24Å; K60-K63 WeakPolarHBondContact O-CA 3.48Å; K60-K63 WeakPolarHBondContact O-CB 3.16Å; K60-K63 PolarHBondContact O-N 3.43Å; K60-W106 HydrophobicContact CD-CH2 4.39Å; K60-W106 HydrophobicContact CD-CZ2 4.22Å; K60-W106 HydrophobicContact CG-CD2 3.98Å; K60-W106 HydrophobicContact CG-CE3 3.91Å; K60-W106 HydrophobicContact CG-CH2 3.78Å; K60-W106 HydrophobicContact CG-CZ2 3.84Å; K60-W106 HydrophobicContact CG-CZ3 3.81Å
61A97.6Very high93.5Very high6 Ų660.6 Ų60.65%0.0534%0.338CS..G310 helixtrans-55.3-35.3179.600000112.3K63 V64 S102 S105 L107A61-K63 PolarHBondContact O-N 3.28Å; A61-V64 PolarHBondContact O-N 3.05Å; A61-S102 WeakPolarHBondContact CB-O 3.32Å; A61-S105 WeakPolarHBondContact CB-O 3.31Å; A61-S105 PolarHBondContact N-O 2.87Å; A61-L107 HydrophobicContact CB-CD1 3.88Å; A61-L107 HydrophobicContact CB-CD2 4.44Å; A61-L107 HydrophobicContact CB-CG 3.91Å
62S96.4Very high94.8Very high69 Ų6954 Ų5448%0.48330%0.303SS..G310 helixtrans-65.4-6.4175.565.10000115.2K60K60-S62 PolarHBondContact O-N 3.45Å; K60-S62 VanDerWaalsContact O-N 3.12Å
63K97Very high95.9Very high153 Ų15352 Ų5267%0.66529%0.292SS*.G310 helixtrans-112.10.9-179.8-62.6-61.6-173.4-178.50112.6I59 K60 A61I59-K63 HydrophobicContact CD1-CB 3.91Å; I59-K63 HydrophobicContact CG1-CB 3.83Å; K60-K63 HydrophobicContact CB-CG 4.24Å; K60-K63 WeakPolarHBondContact O-CA 3.48Å; K60-K63 WeakPolarHBondContact O-CB 3.16Å; K60-K63 PolarHBondContact O-N 3.43Å; A61-K63 PolarHBondContact O-N 3.28Å
64V97.4Very high96.5Very high21 Ų2153.2 Ų53.213%0.12729%0.292CS..SBendtrans-90.5138.1179-1790000109.6I59 A61 V68 V69 L107 I109I59-V64 HydrophobicContact CB-CG2 4.39Å; I59-V64 HydrophobicContact CD1-CG2 4.16Å; I59-V64 HydrophobicContact CG1-CG2 4.13Å; I59-V64 HydrophobicContact CG2-CG2 3.41Å; I59-V64 VanDerWaalsContact CG2-CG2 3.41Å; A61-V64 PolarHBondContact O-N 3.05Å; V64-V68 HydrophobicContact CG1-CB 3.64Å; V64-V68 HydrophobicContact CG1-CG1 3.54Å; V64-V69 HydrophobicContact CB-CG2 4Å; V64-V69 HydrophobicContact CG1-CG2 3.81Å; V64-L107 HydrophobicContact CB-CD1 4.48Å; V64-L107 HydrophobicContact CG2-CD1 3.91Å; V64-I109 HydrophobicContact CG1-CD1 4.25Å; V64-I109 HydrophobicContact CG2-CD1 4.27Å
65D97.2Very high96.9Very high124 Ų12453 Ų5366%0.66329%0.291SS*.  trans-60.1141.8176.6-69.3-35000111.3A67 V68 V69D65-A67 PolarHBondContact O-N 3.15Å; D65-V68 HydrophobicContact CB-CG2 4.38Å; D65-V68 WeakPolarHBondContact O-CB 3.3Å; D65-V68 PolarHBondContact O-N 3.43Å; D65-V69 PolarHBondContact O-N 3.24Å
66V97.3Very high97.2Very high101 Ų10150.1 Ų50.161%0.61227%0.274SS*.Hα-helixtrans-56.2-39.5-176.3177.90000111.7V68 V69 D70V66-V68 VanDerWaalsContact C-N 3.32Å; V66-V68 PolarHBondContact O-N 2.9Å; V66-V69 PolarHBondContact O-N 3.02Å; V66-V69 VanDerWaalsContact O-N 3.16Å; V66-D70 VanDerWaalsContact O-CG 3.25Å; V66-D70 PolarHBondContact O-N 3.24Å
67A97Very high97.4Very high73 Ų7352.7 Ų52.760%0.60328%0.284SS*.Hα-helixtrans-61.4-38.8177.600000112.7D65 D70 E71D65-A67 PolarHBondContact O-N 3.15Å; A67-D70 PolarHBondContact O-N 3.38Å; A67-E71 PolarHBondContact O-N 3.39Å; A67-E71 VanDerWaalsContact O-N 3.11Å
68V97.3Very high97.6Very high23 Ų2354.2 Ų54.214%0.13929%0.291CS..Hα-helixtrans-69.3-42.6175.3175.60000109.7V64 D65 V66 D70 E71 L72 I109 I120V64-V68 HydrophobicContact CG1-CB 3.64Å; V64-V68 HydrophobicContact CG1-CG1 3.54Å; D65-V68 HydrophobicContact CB-CG2 4.38Å; D65-V68 WeakPolarHBondContact O-CB 3.3Å; D65-V68 PolarHBondContact O-N 3.43Å; V66-V68 VanDerWaalsContact C-N 3.32Å; V66-V68 PolarHBondContact O-N 2.9Å; V68-D70 PolarHBondContact O-N 2.95Å; V68-E71 PolarHBondContact O-N 2.89Å; V68-L72 HydrophobicContact CG1-CD1 4.43Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.1Å; V68-I109 HydrophobicContact CG1-CD1 4.03Å; V68-I120 HydrophobicContact CG1-CD1 3.98Å
69V98.3Very high97.7Very high12 Ų1254.5 Ų54.57%0.07329%0.291CS..Hα-helixtrans-60-36.9175-178.90000111.5V64 D65 V66 L72 M73 F101V64-V69 HydrophobicContact CB-CG2 4Å; V64-V69 HydrophobicContact CG1-CG2 3.81Å; D65-V69 PolarHBondContact O-N 3.24Å; V66-V69 PolarHBondContact O-N 3.02Å; V66-V69 VanDerWaalsContact O-N 3.16Å; V69-L72 PolarHBondContact O-N 3.42Å; V69-M73 VanDerWaalsContact O-CB 3.29Å; V69-M73 WeakPolarHBondContact O-CB 3.43Å; V69-M73 PolarHBondContact O-N 3.13Å; V69-F101 HydrophobicContact CG1-CB 3.95Å; V69-F101 HydrophobicContact CG1-CD1 4.07Å; V69-F101 HydrophobicContact CG1-CD2 3.81Å; V69-F101 HydrophobicContact CG1-CE2 4.34Å; V69-F101 HydrophobicContact CG1-CG 3.66Å
70D98.1Very high97.8Very high77 Ų7753.3 Ų53.341%0.41229%0.285SS..Hα-helixtrans-63.2-45.2174.9-68.5-25.3000112.2V66 A67 V68 M73 Q74 R97V66-D70 VanDerWaalsContact O-CG 3.25Å; V66-D70 PolarHBondContact O-N 3.24Å; A67-D70 PolarHBondContact O-N 3.38Å; V68-D70 PolarHBondContact O-N 2.95Å; D70-M73 PolarHBondContact O-N 2.82Å; D70-Q74 WeakPolarHBondContact O-CB 3.45Å; D70-Q74 PolarHBondContact O-N 2.92Å; D70-R97 IonicContact OD1-CZ 2.84Å; D70-R97 IonicContact OD1-NH1 3.53Å; D70-R97 PolarHBondContact OD1-NH1 3.06Å; D70-R97 IonicContact OD1-NH2 2.76Å; D70-R97 PolarHBondContact OD1-NH2 3.3Å
71E97.5Very high97.9Very high64 Ų6454 Ų5430%0.29929%0.289SS..Hα-helixtrans-62.3-44175.5-169.3-178.8167.600111.6A67 V68 M73 Q74 L75 I120A67-E71 PolarHBondContact O-N 3.39Å; A67-E71 VanDerWaalsContact O-N 3.11Å; V68-E71 PolarHBondContact O-N 2.89Å; E71-M73 VanDerWaalsContact C-N 3.35Å; E71-M73 PolarHBondContact O-N 3.22Å; E71-Q74 PolarHBondContact O-N 3.16Å; E71-L75 PolarHBondContact O-N 3.31Å; E71-I120 HydrophobicContact CB-CD1 3.92Å; E71-I120 HydrophobicContact CG-CD1 3.75Å; E71-I120 HydrophobicContact CG-CG1 4.37Å; E71-I120 VanDerWaalsContact OE1-CB 3.3Å; E71-I120 WeakPolarHBondContact OE1-CB 3.29Å; E71-I120 WeakPolarHBondContact OE1-CG1 3.46Å; E71-I120 VanDerWaalsContact OE2-CD1 3.27Å; E71-I120 WeakPolarHBondContact OE2-CD1 3.42Å
72L98.5Very high97.9Very high0 Ų057.6 Ų57.60%031%0.314CS..Hα-helixtrans-62.8-40.4175.3-62.7-175000112.1V68 V69 L75 L76 F101 L107 I109 I120 F123V68-L72 HydrophobicContact CG1-CD1 4.43Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.1Å; V69-L72 PolarHBondContact O-N 3.42Å; L72-L75 PolarHBondContact O-N 3.45Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.03Å; L72-F101 HydrophobicContact CB-CE1 3.72Å; L72-F101 HydrophobicContact CB-CZ 3.61Å; L72-F101 HydrophobicContact CD1-CE1 3.88Å; L72-F101 HydrophobicContact CG-CE1 4.47Å; L72-L107 HydrophobicContact CD1-CD1 3.98Å; L72-I109 HydrophobicContact CD1-CD1 4.11Å; L72-I109 HydrophobicContact CD1-CG1 4.18Å; L72-I120 HydrophobicContact CD2-CD1 3.59Å; L72-I120 HydrophobicContact CD2-CG2 3.74Å; L72-I120 HydrophobicContact CG-CD1 4.18Å; L72-F123 HydrophobicContact CB-CD1 4.1Å; L72-F123 HydrophobicContact CB-CE1 4.05Å; L72-F123 HydrophobicContact CB-CG 4.49Å; L72-F123 HydrophobicContact CB-CZ 4.42Å; L72-F123 HydrophobicContact CD1-CB 4.33Å; L72-F123 HydrophobicContact CD1-CD2 4.43Å; L72-F123 HydrophobicContact CD1-CG 4.22Å; L72-F123 HydrophobicContact CD2-CB 3.83Å; L72-F123 HydrophobicContact CD2-CD1 3.65Å; L72-F123 HydrophobicContact CD2-CE1 4.41Å; L72-F123 HydrophobicContact CD2-CG 3.86Å; L72-F123 HydrophobicContact CG-CD1 4.31Å; L72-F123 HydrophobicContact CG-CG 4.41Å; L72-F123 WeakPolarHBondContact O-CE1 3.34Å
73M98.3Very high98Very high13 Ų1355.6 Ų55.66%0.06430%0.298CS..Hα-helixtrans-67.6-37.5177.4-176.262.1-148.900111.6V69 D70 E71 L76 Q77 W91 A93 K96 R97 F101V69-M73 VanDerWaalsContact O-CB 3.29Å; V69-M73 WeakPolarHBondContact O-CB 3.43Å; V69-M73 PolarHBondContact O-N 3.13Å; D70-M73 PolarHBondContact O-N 2.82Å; E71-M73 VanDerWaalsContact C-N 3.35Å; E71-M73 PolarHBondContact O-N 3.22Å; M73-L76 PolarHBondContact O-N 2.96Å; M73-L76 HydrophobicContact SD-CD2 4.09Å; M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 2.73Å; M73-W91 HydrophobicContact CE-CH2 3.78Å; M73-W91 HydrophobicContact CE-CZ2 3.67Å; M73-A93 HydrophobicContact CE-CB 4.3Å; M73-K96 HydrophobicContact CE-CB 4.31Å; M73-K96 HydrophobicContact CE-CG 4.41Å; M73-R97 HydrophobicContact CG-CB 4.42Å; M73-R97 HydrophobicContact CG-CG 4.41Å; M73-R97 HydrophobicContact SD-CB 3.82Å; M73-R97 HydrophobicContact SD-CG 4.26Å; M73-F101 HydrophobicContact CB-CE2 3.89Å; M73-F101 HydrophobicContact CB-CZ 4.49Å; M73-F101 HydrophobicContact CG-CE2 4.46Å; M73-F101 HydrophobicContact SD-CE2 3.89Å
74Q98.2Very high98.1Very high106 Ų10649.4 Ų49.450%0.49527%0.27SS..Hα-helixtrans-61.5-49.5174.2-179.6180-12.400110.8D70 E71 L76 Q77 E78D70-Q74 WeakPolarHBondContact O-CB 3.45Å; D70-Q74 PolarHBondContact O-N 2.92Å; E71-Q74 PolarHBondContact O-N 3.16Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.24Å; Q74-Q77 PolarHBondContact O-N 3.02Å; Q74-Q77 VanDerWaalsContact O-N 3.13Å; Q74-E78 HydrophobicContact CG-CG 4.47Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.23Å; Q74-E78 PolarHBondContact NE2-OE1 3.3Å; Q74-E78 WeakPolarHBondContact O-CG 3.04Å; Q74-E78 PolarHBondContact O-N 3.19Å
75L98.4Very high98.1Very high0 Ų053.5 Ų53.50%029%0.291CS..Hα-helixtrans-56.1-44.5175.4170.559.3000111.9E71 L72 Q77 E78 N79 F123 Q143 Y145E71-L75 PolarHBondContact O-N 3.31Å; L72-L75 PolarHBondContact O-N 3.45Å; L75-Q77 VanDerWaalsContact C-N 3.35Å; L75-Q77 PolarHBondContact O-N 2.87Å; L75-E78 PolarHBondContact O-N 3.31Å; L75-N79 VanDerWaalsContact CD1-ND2 3.33Å; L75-N79 WeakPolarHBondContact CD1-ND2 3.48Å; L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 VanDerWaalsContact O-CG 3.29Å; L75-N79 PolarHBondContact O-N 3.14Å; L75-N79 VanDerWaalsContact O-N 3.13Å; L75-N79 PolarHBondContact O-ND2 2.94Å; L75-F123 HydrophobicContact CD2-CD1 4.12Å; L75-F123 HydrophobicContact CD2-CE1 4.34Å; L75-Q143 HydrophobicContact CD2-CB 3.99Å; L75-Q143 HydrophobicContact CG-CB 4Å; L75-Y145 HydrophobicContact CB-CE1 4.3Å; L75-Y145 HydrophobicContact CB-CE2 4.19Å; L75-Y145 HydrophobicContact CD1-CD1 3.61Å; L75-Y145 HydrophobicContact CD1-CD2 3.97Å; L75-Y145 HydrophobicContact CD1-CE1 3.76Å; L75-Y145 HydrophobicContact CD1-CE2 4.13Å; L75-Y145 HydrophobicContact CD1-CG 3.7Å; L75-Y145 HydrophobicContact CD2-CD2 3.98Å; L75-Y145 HydrophobicContact CD2-CE2 3.97Å; L75-Y145 HydrophobicContact CG-CD2 4.47Å; L75-Y145 HydrophobicContact CG-CE2 4.32Å
76L98.6Very high98.1Very high0 Ų051.6 Ų51.60%029%0.287CS..Hα-helixtrans-59.8-46.2176.7174.856000111.5L72 M73 Q74 N79 M80 K96 A100 F123 E141 Q143L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.03Å; M73-L76 PolarHBondContact O-N 2.96Å; M73-L76 HydrophobicContact SD-CD2 4.09Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.24Å; L76-N79 PolarHBondContact O-N 3.35Å; L76-M80 HydrophobicContact CD1-CB 4.08Å; L76-M80 HydrophobicContact CD1-CG 3.71Å; L76-M80 VanDerWaalsContact O-CB 3.31Å; L76-M80 WeakPolarHBondContact O-CB 3.42Å; L76-M80 PolarHBondContact O-N 3.18Å; L76-K96 HydrophobicContact CD2-CG 3.86Å; L76-A100 HydrophobicContact CD2-CB 3.97Å; L76-F123 HydrophobicContact CB-CE1 4.47Å; L76-F123 HydrophobicContact CB-CZ 4.26Å; L76-E141 VanDerWaalsContact CD1-CD 3.44Å; L76-E141 HydrophobicContact CD1-CG 4.21Å; L76-E141 WeakPolarHBondContact CD1-OE2 3.26Å; L76-E141 HydrophobicContact CD2-CG 4.12Å; L76-Q143 HydrophobicContact CB-CG 4.45Å; L76-Q143 HydrophobicContact CD1-CG 3.89Å
77Q98.5Very high98.1Very high72 Ų7247.6 Ų47.634%0.33626%0.263SS..Hα-helixtrans-61.6-48.6178.5-176.5171.1-63.100111.7M73 Q74 L75 N79 M80 Q81 W91M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 2.73Å; Q74-Q77 PolarHBondContact O-N 3.02Å; Q74-Q77 VanDerWaalsContact O-N 3.13Å; L75-Q77 VanDerWaalsContact C-N 3.35Å; L75-Q77 PolarHBondContact O-N 2.87Å; Q77-N79 PolarHBondContact O-N 3.4Å; Q77-M80 PolarHBondContact O-N 3.16Å; Q77-Q81 HydrophobicContact CG-CB 4.01Å; Q77-Q81 HydrophobicContact CG-CG 4.49Å; Q77-Q81 VanDerWaalsContact CG-OE1 3.24Å; Q77-Q81 WeakPolarHBondContact O-CB 3.38Å; Q77-Q81 PolarHBondContact O-N 2.97Å; Q77-W91 HydrophobicContact CB-CH2 4.18Å; Q77-W91 HydrophobicContact CB-CZ2 3.75Å; Q77-W91 HydrophobicContact CG-CH2 4.38Å; Q77-W91 HydrophobicContact CG-CZ2 3.59Å
78E98.2Very high98.1Very high104 Ų10448.5 Ų48.549%0.48627%0.265SS..Hα-helixtrans-56-37.9178.6-73.8176-166.600112.2Q74 L75Q74-E78 HydrophobicContact CG-CG 4.47Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.23Å; Q74-E78 PolarHBondContact NE2-OE1 3.3Å; Q74-E78 WeakPolarHBondContact O-CG 3.04Å; Q74-E78 PolarHBondContact O-N 3.19Å; L75-E78 PolarHBondContact O-N 3.31Å
79N98.4Very high98.1Very high28 Ų2853.1 Ų53.115%0.1528%0.28CS..Hα-helixtrans-83.5-35-177.8-68.7-16.8000114.1L75 L76 Q77 Q143 L144 R149L75-N79 VanDerWaalsContact CD1-ND2 3.33Å; L75-N79 WeakPolarHBondContact CD1-ND2 3.48Å; L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 VanDerWaalsContact O-CG 3.29Å; L75-N79 PolarHBondContact O-N 3.14Å; L75-N79 VanDerWaalsContact O-N 3.13Å; L75-N79 PolarHBondContact O-ND2 2.94Å; L76-N79 PolarHBondContact O-N 3.35Å; Q77-N79 PolarHBondContact O-N 3.4Å; N79-Q143 PolarHBondContact ND2-OE1 2.89Å; N79-L144 PolarHBondContact ND2-O 3.05Å; N79-R149 PolarHBondContact ND2-NH2 3.32Å; N79-R149 PolarHBondContact OD1-NH2 2.89Å
80M98.3Very high98Very high22 Ų2254 Ų5411%0.10829%0.291CS..Hα-helixtrans-116.2-21-163.2-66.9-63.2-64.900114.7L76 Q77 S82 L83 Y84 Q143 F178L76-M80 HydrophobicContact CD1-CB 4.08Å; L76-M80 HydrophobicContact CD1-CG 3.71Å; L76-M80 VanDerWaalsContact O-CB 3.31Å; L76-M80 WeakPolarHBondContact O-CB 3.42Å; L76-M80 PolarHBondContact O-N 3.18Å; Q77-M80 PolarHBondContact O-N 3.16Å; M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 PolarHBondContact O-N 3.27Å; M80-L83 HydrophobicContact CE-CD1 4.1Å; M80-L83 WeakPolarHBondContact O-CB 3.31Å; M80-L83 PolarHBondContact O-N 3.19Å; M80-L83 HydrophobicContact SD-CD1 3.76Å; M80-Y84 HydrophobicContact CB-CD2 3.94Å; M80-Y84 HydrophobicContact CB-CE2 4.04Å; M80-Y84 HydrophobicContact CE-CD2 4.34Å; M80-Y84 HydrophobicContact CE-CE2 3.89Å; M80-Y84 WeakPolarHBondContact O-CD2 3.47Å; M80-Y84 PolarHBondContact O-N 3.41Å; M80-Q143 VanDerWaalsContact CG-NE2 3.31Å; M80-F178 HydrophobicContact CE-CD2 3.94Å; M80-F178 HydrophobicContact CE-CE2 3.99Å
81Q98.4Very high98Very high66 Ų6652.7 Ų52.731%0.30828%0.281SS..Hα-helixtrans-55.7-44.7-172.3178.7174.714.600112.9Q77 L83 Y84 I85 W91Q77-Q81 HydrophobicContact CG-CB 4.01Å; Q77-Q81 HydrophobicContact CG-CG 4.49Å; Q77-Q81 VanDerWaalsContact CG-OE1 3.24Å; Q77-Q81 WeakPolarHBondContact O-CB 3.38Å; Q77-Q81 PolarHBondContact O-N 2.97Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-L83 PolarHBondContact O-N 3.4Å; Q81-Y84 PolarHBondContact O-N 2.92Å; Q81-I85 HydrophobicContact CG-CD1 3.77Å; Q81-I85 HydrophobicContact CG-CG1 4.4Å; Q81-I85 VanDerWaalsContact O-CG1 3.32Å; Q81-I85 WeakPolarHBondContact O-CG1 3.1Å; Q81-I85 PolarHBondContact O-N 2.86Å; Q81-W91 HydrophobicContact CB-CD2 4.1Å; Q81-W91 HydrophobicContact CB-CE3 4.39Å; Q81-W91 HydrophobicContact CB-CG 4.47Å; Q81-W91 HydrophobicContact CB-CZ2 4.42Å; Q81-W91 HydrophobicContact CG-CB 4.38Å; Q81-W91 HydrophobicContact CG-CD2 3.91Å; Q81-W91 HydrophobicContact CG-CG 3.78Å
82S98.4Very high98.1Very high81 Ų8154.1 Ų54.157%0.56629%0.291SS*.Hα-helixtrans-63.3-39.2179.458.30000112.6M80 I85 S86M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 PolarHBondContact O-N 3.27Å; S82-I85 PolarHBondContact O-N 2.96Å; S82-S86 WeakPolarHBondContact O-CB 3.46Å; S82-S86 PolarHBondContact O-N 3.16Å; S82-S86 PolarHBondContact O-OG 2.69Å
83L98.4Very high98Very high27 Ų2755.9 Ų55.914%0.14131%0.305CS..Hα-helixtrans-64.2-45.3176.1-68.9167000110.9M80 Q81 S86 S87 F178 N181M80-L83 HydrophobicContact CE-CD1 4.1Å; M80-L83 WeakPolarHBondContact O-CB 3.31Å; M80-L83 PolarHBondContact O-N 3.19Å; M80-L83 HydrophobicContact SD-CD1 3.76Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-L83 PolarHBondContact O-N 3.4Å; L83-S86 PolarHBondContact O-N 2.79Å; L83-S86 PolarHBondContact O-OG 2.95Å; L83-S87 WeakPolarHBondContact O-CB 3.47Å; L83-S87 PolarHBondContact O-N 3.02Å; L83-S87 VanDerWaalsContact O-N 3.09Å; L83-F178 HydrophobicContact CB-CD2 3.9Å; L83-F178 HydrophobicContact CB-CE2 4.23Å; L83-N181 HydrophobicContact CD1-CB 3.89Å; L83-N181 WeakPolarHBondContact CD1-ND2 3.48Å; L83-N181 HydrophobicContact CD2-CB 4.17Å
84Y98.4Very high98Very high23 Ų2362.8 Ų62.89%0.0934%0.337CS..Hα-helixtrans-62.3-45.6176.6-89.8-83.4000112.5M80 Q81 S86 S87 W89 G90 W91 K96 F178M80-Y84 HydrophobicContact CB-CD2 3.94Å; M80-Y84 HydrophobicContact CB-CE2 4.04Å; M80-Y84 HydrophobicContact CE-CD2 4.34Å; M80-Y84 HydrophobicContact CE-CE2 3.89Å; M80-Y84 WeakPolarHBondContact O-CD2 3.47Å; M80-Y84 PolarHBondContact O-N 3.41Å; Q81-Y84 PolarHBondContact O-N 2.92Å; Y84-S86 VanDerWaalsContact C-N 3.26Å; Y84-S86 PolarHBondContact O-N 2.79Å; Y84-S87 WeakPolarHBondContact O-CB 3.35Å; Y84-S87 PolarHBondContact O-N 2.57Å; Y84-S87 PolarHBondContact O-OG 2.96Å; Y84-W89 HydrophobicContact CD1-CB 4.23Å; Y84-W89 HydrophobicContact CD1-CE3 4.33Å; Y84-W89 HydrophobicContact CE1-CB 4.46Å; Y84-W89 AromaticContact CE1-CE3 3.64Å; Y84-W89 HydrophobicContact CE1-CE3 3.64Å; Y84-W89 HydrophobicContact CE1-CZ3 4.33Å; Y84-G90 WeakPolarHBondContact CB-O 3.33Å; Y84-G90 WeakPolarHBondContact CD1-O 3.34Å; Y84-G90 WeakPolarHBondContact O-CA 3.25Å; Y84-G90 PolarHBondContact O-N 3.37Å; Y84-W91 HydrophobicContact CD1-CE3 4.47Å; Y84-W91 AromaticContact CD2-CE3 3.7Å; Y84-W91 HydrophobicContact CD2-CE3 3.7Å; Y84-W91 AromaticContact CD2-CZ3 3.71Å; Y84-W91 HydrophobicContact CD2-CZ3 3.71Å; Y84-W91 HydrophobicContact CE2-CE3 4.48Å; Y84-W91 HydrophobicContact CE2-CZ3 4.15Å; Y84-W91 AromaticContact CG-CE3 3.72Å; Y84-W91 HydrophobicContact CG-CE3 3.72Å; Y84-W91 HydrophobicContact CG-CZ3 4.2Å; Y84-K96 HydrophobicContact CE2-CD 4.48Å; Y84-K96 WeakPolarHBondContact OH-CE 3.28Å; Y84-K96 PolarHBondContact OH-NZ 2.92Å; Y84-F178 HydrophobicContact CD1-CE2 4.06Å; Y84-F178 AromaticContact CD1-CZ 3.68Å; Y84-F178 HydrophobicContact CD1-CZ 3.68Å; Y84-F178 AromaticContact CD2-CE2 3.77Å; Y84-F178 HydrophobicContact CD2-CE2 3.77Å; Y84-F178 HydrophobicContact CD2-CZ 4.24Å; Y84-F178 HydrophobicContact CE1-CE2 4.11Å; Y84-F178 AromaticContact CE1-CZ 3.71Å; Y84-F178 HydrophobicContact CE1-CZ 3.71Å; Y84-F178 AromaticContact CE2-CE2 3.77Å; Y84-F178 HydrophobicContact CE2-CE2 3.77Å; Y84-F178 HydrophobicContact CE2-CZ 4.23Å; Y84-F178 AromaticContact CG-CE2 3.9Å; Y84-F178 HydrophobicContact CG-CE2 3.9Å; Y84-F178 AromaticContact CG-CZ 3.96Å; Y84-F178 HydrophobicContact CG-CZ 3.96Å; Y84-F178 AromaticContact CZ-CE2 3.92Å; Y84-F178 AromaticContact CZ-CZ 3.95Å
85I98.3Very high98Very high108 Ų10860.3 Ų60.355%0.55434%0.335SS*.Hα-helixtrans-59.5-38.8175.8-70.6169.7000111.3Q81 S82 S87 W91Q81-I85 HydrophobicContact CG-CD1 3.77Å; Q81-I85 HydrophobicContact CG-CG1 4.4Å; Q81-I85 VanDerWaalsContact O-CG1 3.32Å; Q81-I85 WeakPolarHBondContact O-CG1 3.1Å; Q81-I85 PolarHBondContact O-N 2.86Å; S82-I85 PolarHBondContact O-N 2.96Å; I85-S87 PolarHBondContact O-N 2.75Å; I85-W91 HydrophobicContact CG1-CB 3.91Å
86S97.3Very high98Very high84 Ų8461 Ų6159%0.58734%0.337SS*.THydrogen-bonded Turntrans-76.3-9.8177.573.70000114.3S82 L83 Y84S82-S86 WeakPolarHBondContact O-CB 3.46Å; S82-S86 PolarHBondContact O-N 3.16Å; S82-S86 PolarHBondContact O-OG 2.69Å; L83-S86 PolarHBondContact O-N 2.79Å; L83-S86 PolarHBondContact O-OG 2.95Å; Y84-S86 VanDerWaalsContact C-N 3.26Å; Y84-S86 PolarHBondContact O-N 2.79Å
87S97.6Very high98Very high17 Ų1764.2 Ų64.212%0.11935%0.35CS..SBendtrans-97.9167-177.879.50000112.1L83 Y84 I85 W89 G90 D210L83-S87 WeakPolarHBondContact O-CB 3.47Å; L83-S87 PolarHBondContact O-N 3.02Å; L83-S87 VanDerWaalsContact O-N 3.09Å; Y84-S87 WeakPolarHBondContact O-CB 3.35Å; Y84-S87 PolarHBondContact O-N 2.57Å; Y84-S87 PolarHBondContact O-OG 2.96Å; I85-S87 PolarHBondContact O-N 2.75Å; S87-W89 PolarHBondContact O-N 2.83Å; S87-W89 PolarHBondContact OG-N 3.28Å; S87-G90 PolarHBondContact O-N 2.99Å; S87-D210 WeakPolarHBondContact CA-OD2 3.34Å; S87-D210 WeakPolarHBondContact CB-OD2 3.35Å
88S96.4Very high98Very high91 Ų9164 Ų6464%0.63636%0.36SS*.THydrogen-bonded Turntrans-64.8-13.2171.861.20000114.2D210S88-D210 WeakPolarHBondContact CB-OD2 3.38Å; S88-D210 PolarHBondContact N-OD2 2.9Å; S88-D210 VanDerWaalsContact OG-CG 3.31Å; S88-D210 PolarHBondContact OG-OD1 3.13Å; S88-D210 PolarHBondContact OG-OD2 3.09Å
89W96.9Very high98Very high121 Ų12162.6 Ų62.646%0.45835%0.354SS..THydrogen-bonded Turntrans-87.1-25.2-179.3-64.7-8.5000113.7Y84 S87 T176 F178 Y211Y84-W89 HydrophobicContact CD1-CB 4.23Å; Y84-W89 HydrophobicContact CD1-CE3 4.33Å; Y84-W89 HydrophobicContact CE1-CB 4.46Å; Y84-W89 AromaticContact CE1-CE3 3.64Å; Y84-W89 HydrophobicContact CE1-CE3 3.64Å; Y84-W89 HydrophobicContact CE1-CZ3 4.33Å; S87-W89 PolarHBondContact O-N 2.83Å; S87-W89 PolarHBondContact OG-N 3.28Å; W89-T176 HydrophobicContact CH2-CG2 3.69Å; W89-F178 AromaticContact CD2-CE1 3.86Å; W89-F178 HydrophobicContact CD2-CE1 3.86Å; W89-F178 HydrophobicContact CD2-CZ 4.15Å; W89-F178 AromaticContact CE3-CE1 3.4Å; W89-F178 HydrophobicContact CE3-CE1 3.4Å; W89-F178 VanDerWaalsContact CE3-CE1 3.4Å; W89-F178 AromaticContact CE3-CZ 3.37Å; W89-F178 HydrophobicContact CE3-CZ 3.37Å; W89-F178 HydrophobicContact CG-CE1 4.48Å; W89-F178 HydrophobicContact CH2-CE1 4.47Å; W89-F178 AromaticContact CZ3-CE1 3.75Å; W89-F178 HydrophobicContact CZ3-CE1 3.75Å; W89-F178 AromaticContact CZ3-CZ 3.82Å; W89-F178 HydrophobicContact CZ3-CZ 3.82Å; W89-Y211 AromaticContact CE2-CD1 3.77Å; W89-Y211 AromaticContact CE2-CE1 3.98Å; W89-Y211 HydrophobicContact CH2-CD1 4.12Å; W89-Y211 HydrophobicContact CH2-CG 4.11Å; W89-Y211 AromaticContact CZ2-CD1 3.29Å; W89-Y211 HydrophobicContact CZ2-CD1 3.29Å; W89-Y211 HydrophobicContact CZ2-CD2 4.32Å; W89-Y211 AromaticContact CZ2-CE1 3.53Å; W89-Y211 HydrophobicContact CZ2-CE1 3.53Å; W89-Y211 AromaticContact CZ2-CG 3.72Å; W89-Y211 HydrophobicContact CZ2-CG 3.72Å; W89-Y211 AromaticContact NE1-CD1 3.96Å; W89-Y211 AromaticContact NE1-CE1 3.9Å
90G97.4Very high97.9Very high30 Ų3061.3 Ų61.331%0.30935%0.346SS..  trans64.9178.1-172.700000113.4Y84 S87Y84-G90 WeakPolarHBondContact CB-O 3.33Å; Y84-G90 WeakPolarHBondContact CD1-O 3.34Å; Y84-G90 WeakPolarHBondContact O-CA 3.25Å; Y84-G90 PolarHBondContact O-N 3.37Å; S87-G90 PolarHBondContact O-N 2.99Å
91W98.1Very high97.9Very high50 Ų5061.3 Ų61.319%0.18935%0.346CS..  trans-110.2122.9178.2179.5-106.9000111.5M73 Q77 Q81 Y84 I85 A93 K96M73-W91 HydrophobicContact CE-CH2 3.78Å; M73-W91 HydrophobicContact CE-CZ2 3.67Å; Q77-W91 HydrophobicContact CB-CH2 4.18Å; Q77-W91 HydrophobicContact CB-CZ2 3.75Å; Q77-W91 HydrophobicContact CG-CH2 4.38Å; Q77-W91 HydrophobicContact CG-CZ2 3.59Å; Q81-W91 HydrophobicContact CB-CD2 4.1Å; Q81-W91 HydrophobicContact CB-CE3 4.39Å; Q81-W91 HydrophobicContact CB-CG 4.47Å; Q81-W91 HydrophobicContact CB-CZ2 4.42Å; Q81-W91 HydrophobicContact CG-CB 4.38Å; Q81-W91 HydrophobicContact CG-CD2 3.91Å; Q81-W91 HydrophobicContact CG-CG 3.78Å; Y84-W91 HydrophobicContact CD1-CE3 4.47Å; Y84-W91 AromaticContact CD2-CE3 3.7Å; Y84-W91 HydrophobicContact CD2-CE3 3.7Å; Y84-W91 AromaticContact CD2-CZ3 3.71Å; Y84-W91 HydrophobicContact CD2-CZ3 3.71Å; Y84-W91 HydrophobicContact CE2-CE3 4.48Å; Y84-W91 HydrophobicContact CE2-CZ3 4.15Å; Y84-W91 AromaticContact CG-CE3 3.72Å; Y84-W91 HydrophobicContact CG-CE3 3.72Å; Y84-W91 HydrophobicContact CG-CZ3 4.2Å; I85-W91 HydrophobicContact CG1-CB 3.91Å; W91-A93 HydrophobicContact CZ2-CB 4.25Å; W91-K96 HydrophobicContact CH2-CB 4.36Å; W91-K96 HydrophobicContact CH2-CG 4.03Å; W91-K96 HydrophobicContact CZ3-CB 4.37Å; W91-K96 HydrophobicContact CZ3-CG 3.97Å
92N98.2Very high97.9Very high94 Ų9459.6 Ų59.650%0.50334%0.341SS..  trans-130.9104.4168.8-179.4-31.3000108.3E94 A95 K96N92-E94 VanDerWaalsContact C-N 3.32Å; N92-E94 PolarHBondContact O-N 2.9Å; N92-E94 PolarHBondContact OD1-N 3.38Å; N92-E94 VanDerWaalsContact OD1-N 3.14Å; N92-A95 HydrophobicContact CB-CB 3.95Å; N92-A95 PolarHBondContact O-N 3.08Å; N92-A95 PolarHBondContact OD1-N 3.06Å; N92-K96 VanDerWaalsContact O-CB 3.27Å; N92-K96 WeakPolarHBondContact O-CB 3.28Å; N92-K96 PolarHBondContact O-N 2.88Å
93A98Very high97.8Very high36 Ų3659.8 Ų59.830%0.29834%0.342SS..Hα-helixtrans-61.8-38.4-175.100000112.7M73 W91 K96 R97M73-A93 HydrophobicContact CE-CB 4.3Å; W91-A93 HydrophobicContact CZ2-CB 4.25Å; A93-K96 PolarHBondContact O-N 3.01Å; A93-R97 VanDerWaalsContact O-CB 3.27Å; A93-R97 WeakPolarHBondContact O-CB 3.33Å; A93-R97 PolarHBondContact O-N 3Å
94E98.1Very high97.7Very high159 Ų15965.4 Ų65.474%0.74337%0.366SS*.Hα-helixtrans-68.9-48.7-179.8-175.9-179.5-175.300111.2N92 K96 R97 A98N92-E94 VanDerWaalsContact C-N 3.32Å; N92-E94 PolarHBondContact O-N 2.9Å; N92-E94 PolarHBondContact OD1-N 3.38Å; N92-E94 VanDerWaalsContact OD1-N 3.14Å; E94-K96 VanDerWaalsContact C-N 3.27Å; E94-K96 PolarHBondContact O-N 3.17Å; E94-R97 PolarHBondContact O-N 2.85Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 2.9Å
95A98.3Very high97.7Very high54 Ų5464.3 Ų64.345%0.44636%0.361SS..Hα-helixtrans-60-41.5175.800000110.9N92 A98 E99N92-A95 HydrophobicContact CB-CB 3.95Å; N92-A95 PolarHBondContact O-N 3.08Å; N92-A95 PolarHBondContact OD1-N 3.06Å; A95-A98 PolarHBondContact O-N 2.86Å; A95-E99 WeakPolarHBondContact O-CB 3.37Å; A95-E99 PolarHBondContact O-N 2.93Å
96K98Very high97.7Very high13 Ų1359.3 Ų59.36%0.05734%0.336CS..Hα-helixtrans-67.3-39.5179.2-169.562.8-175.6168.30112.4M73 L76 Y84 W91 N92 A93 E94 E99 A100 E141M73-K96 HydrophobicContact CE-CB 4.31Å; M73-K96 HydrophobicContact CE-CG 4.41Å; L76-K96 HydrophobicContact CD2-CG 3.86Å; Y84-K96 HydrophobicContact CE2-CD 4.48Å; Y84-K96 WeakPolarHBondContact OH-CE 3.28Å; Y84-K96 PolarHBondContact OH-NZ 2.92Å; W91-K96 HydrophobicContact CH2-CB 4.36Å; W91-K96 HydrophobicContact CH2-CG 4.03Å; W91-K96 HydrophobicContact CZ3-CB 4.37Å; W91-K96 HydrophobicContact CZ3-CG 3.97Å; N92-K96 VanDerWaalsContact O-CB 3.27Å; N92-K96 WeakPolarHBondContact O-CB 3.28Å; N92-K96 PolarHBondContact O-N 2.88Å; A93-K96 PolarHBondContact O-N 3.01Å; E94-K96 VanDerWaalsContact C-N 3.27Å; E94-K96 PolarHBondContact O-N 3.17Å; K96-E99 WeakPolarHBondContact CD-OE2 3.46Å; K96-E99 IonicContact NZ-OE2 2.7Å; K96-E99 PolarHBondContact NZ-OE2 2.94Å; K96-E99 PolarHBondContact O-N 3.3Å; K96-A100 WeakPolarHBondContact O-CB 3.46Å; K96-A100 PolarHBondContact O-N 3.41Å; K96-E141 WeakPolarHBondContact CE-OE1 3.43Å; K96-E141 IonicContact NZ-OE1 2.81Å; K96-E141 PolarHBondContact NZ-OE1 2.84Å
97R98.3Very high97.7Very high69 Ų6955.3 Ų55.326%0.2631%0.308SS..Hα-helixtrans-62.5-46.6173.7-172.8-173.918096.8-5.6111.2D70 M73 A93 E94 E99 A100 F101D70-R97 IonicContact OD1-CZ 2.84Å; D70-R97 IonicContact OD1-NH1 3.53Å; D70-R97 PolarHBondContact OD1-NH1 3.06Å; D70-R97 IonicContact OD1-NH2 2.76Å; D70-R97 PolarHBondContact OD1-NH2 3.3Å; M73-R97 HydrophobicContact CG-CB 4.42Å; M73-R97 HydrophobicContact CG-CG 4.41Å; M73-R97 HydrophobicContact SD-CB 3.82Å; M73-R97 HydrophobicContact SD-CG 4.26Å; A93-R97 VanDerWaalsContact O-CB 3.27Å; A93-R97 WeakPolarHBondContact O-CB 3.33Å; A93-R97 PolarHBondContact O-N 3Å; E94-R97 PolarHBondContact O-N 2.85Å; R97-E99 VanDerWaalsContact C-N 3.26Å; R97-E99 PolarHBondContact O-N 3.11Å; R97-A100 PolarHBondContact O-N 3.39Å; R97-F101 HydrophobicContact CG-CD2 3.92Å; R97-F101 WeakPolarHBondContact O-CB 3.45Å; R97-F101 WeakPolarHBondContact O-CD2 3.5Å; R97-F101 PolarHBondContact O-N 3.27Å
98A98.2Very high97.8Very high66 Ų6654.5 Ų54.555%0.54530%0.302SS..Hα-helixtrans-62.6-34.1178.400000112.4E94 A95 S102E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 2.9Å; A95-A98 PolarHBondContact O-N 2.86Å; A98-S102 WeakPolarHBondContact O-CB 3.47Å; A98-S102 PolarHBondContact O-N 3.05Å
99E97.9Very high97.8Very high76 Ų7650.2 Ų50.236%0.35527%0.272SS..Hα-helixtrans-71-61.6172.5-176.6-172.1-136.200111.4A95 K96 R97 F101 R127 Y140A95-E99 WeakPolarHBondContact O-CB 3.37Å; A95-E99 PolarHBondContact O-N 2.93Å; K96-E99 WeakPolarHBondContact CD-OE2 3.46Å; K96-E99 IonicContact NZ-OE2 2.7Å; K96-E99 PolarHBondContact NZ-OE2 2.94Å; K96-E99 PolarHBondContact O-N 3.3Å; R97-E99 VanDerWaalsContact C-N 3.26Å; R97-E99 PolarHBondContact O-N 3.11Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.94Å; E99-R127 PolarHBondContact O-NH2 2.76Å; E99-Y140 HydrophobicContact CG-CD1 3.67Å; E99-Y140 HydrophobicContact CG-CE1 3.72Å
100A97.5Very high97.7Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-61.6-35.6-172.900000112.6L76 K96 R97 S105 S125 E141L76-A100 HydrophobicContact CD2-CB 3.97Å; K96-A100 WeakPolarHBondContact O-CB 3.46Å; K96-A100 PolarHBondContact O-N 3.41Å; R97-A100 PolarHBondContact O-N 3.39Å; A100-S105 PolarHBondContact O-OG 3.21Å; A100-S125 WeakPolarHBondContact O-CB 3.4Å; A100-S125 PolarHBondContact O-OG 2.9Å; A100-E141 HydrophobicContact CB-CG 3.93Å
101F98.1Very high97.6Very high23 Ų2344.9 Ų44.910%0.10124%0.242CC..THydrogen-bonded Turntrans-117.628.8-172.5-49.8-72.4000113.6V69 L72 M73 R97 E99 L107 F123V69-F101 HydrophobicContact CG1-CB 3.95Å; V69-F101 HydrophobicContact CG1-CD1 4.07Å; V69-F101 HydrophobicContact CG1-CD2 3.81Å; V69-F101 HydrophobicContact CG1-CE2 4.34Å; V69-F101 HydrophobicContact CG1-CG 3.66Å; L72-F101 HydrophobicContact CB-CE1 3.72Å; L72-F101 HydrophobicContact CB-CZ 3.61Å; L72-F101 HydrophobicContact CD1-CE1 3.88Å; L72-F101 HydrophobicContact CG-CE1 4.47Å; M73-F101 HydrophobicContact CB-CE2 3.89Å; M73-F101 HydrophobicContact CB-CZ 4.49Å; M73-F101 HydrophobicContact CG-CE2 4.46Å; M73-F101 HydrophobicContact SD-CE2 3.89Å; R97-F101 HydrophobicContact CG-CD2 3.92Å; R97-F101 WeakPolarHBondContact O-CB 3.45Å; R97-F101 WeakPolarHBondContact O-CD2 3.5Å; R97-F101 PolarHBondContact O-N 3.27Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.94Å; F101-L107 HydrophobicContact CD1-CD1 3.94Å; F101-L107 HydrophobicContact CD1-CD2 3.93Å; F101-L107 HydrophobicContact CE1-CD1 4.34Å; F101-L107 HydrophobicContact CE1-CD2 4.14Å; F101-F123 HydrophobicContact CE1-CD2 4.35Å; F101-F123 AromaticContact CE1-CE2 3.8Å; F101-F123 HydrophobicContact CE1-CE2 3.8Å; F101-F123 HydrophobicContact CE1-CZ 4.15Å; F101-F123 AromaticContact CZ-CE2 3.96Å; F101-F123 HydrophobicContact CZ-CE2 3.96Å; F101-F123 AromaticContact CZ-CZ 3.84Å; F101-F123 HydrophobicContact CZ-CZ 3.84Å
102S97.7Very high97.3Very high29 Ų2942.6 Ų42.620%0.20323%0.234CC..  trans-54.4154172.4-177.20000112.1A61 A98 K104 S105A61-S102 WeakPolarHBondContact CB-O 3.32Å; A98-S102 WeakPolarHBondContact O-CB 3.47Å; A98-S102 PolarHBondContact O-N 3.05Å; S102-K104 PolarHBondContact O-N 3.26Å; S102-K104 PolarHBondContact OG-N 2.93Å; S102-S105 VanDerWaalsContact O-CB 3.3Å; S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 2.91Å
103S96.3Very high96.7Very high85 Ų8541.8 Ų41.859%0.59423%0.227SC*.THydrogen-bonded Turntrans-59.5-16.8172.859.10000114.4
104K96.5Very high95.6Very high145 Ų14542.6 Ų42.663%0.6323%0.229SC*.THydrogen-bonded Turntrans-83.5-15.7173.3-61.5-179.8-177.7176.50113.5S102S102-K104 PolarHBondContact O-N 3.26Å; S102-K104 PolarHBondContact OG-N 2.93Å
105S98.3Very high94.4Very high0 Ų040.9 Ų40.90%023%0.234CC..  trans-78.7138.2-176.6-60.70000111.6A61 A100 S102 R127A61-S105 WeakPolarHBondContact CB-O 3.31Å; A61-S105 PolarHBondContact N-O 2.87Å; A100-S105 PolarHBondContact O-OG 3.21Å; S102-S105 VanDerWaalsContact O-CB 3.3Å; S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 2.91Å; S105-R127 PolarHBondContact OG-NE 2.84Å
106W98.3Very high93.1Very high4 Ų446.9 Ų46.92%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-93.6142.5159.3-73.191.8000109.2I31 L34 K60 S125 F126 F128I31-W106 HydrophobicContact CG2-CH2 4.36Å; I31-W106 HydrophobicContact CG2-CZ2 4.21Å; I31-W106 WeakPolarHBondContact O-CZ2 3.15Å; L34-W106 HydrophobicContact CB-CH2 4.33Å; L34-W106 HydrophobicContact CB-CZ3 4.28Å; L34-W106 HydrophobicContact CD1-CB 4.39Å; L34-W106 HydrophobicContact CD1-CD2 3.35Å; L34-W106 HydrophobicContact CD1-CE3 3.53Å; L34-W106 HydrophobicContact CD1-CG 3.76Å; L34-W106 HydrophobicContact CD1-CH2 4.13Å; L34-W106 HydrophobicContact CD1-CZ2 3.98Å; L34-W106 HydrophobicContact CD1-CZ3 3.92Å; L34-W106 HydrophobicContact CD2-CZ2 4.47Å; L34-W106 HydrophobicContact CG-CD2 4.03Å; L34-W106 HydrophobicContact CG-CE3 4.04Å; L34-W106 HydrophobicContact CG-CH2 3.72Å; L34-W106 HydrophobicContact CG-CZ2 3.69Å; L34-W106 HydrophobicContact CG-CZ3 3.89Å; K60-W106 HydrophobicContact CD-CH2 4.39Å; K60-W106 HydrophobicContact CD-CZ2 4.22Å; K60-W106 HydrophobicContact CG-CD2 3.98Å; K60-W106 HydrophobicContact CG-CE3 3.91Å; K60-W106 HydrophobicContact CG-CH2 3.78Å; K60-W106 HydrophobicContact CG-CZ2 3.84Å; K60-W106 HydrophobicContact CG-CZ3 3.81Å; W106-S125 WeakPolarHBondContact O-CA 3.28Å; W106-F126 HydrophobicContact CB-CD1 4Å; W106-F126 HydrophobicContact CB-CD2 4.21Å; W106-F126 HydrophobicContact CB-CE1 3.47Å; W106-F126 VanDerWaalsContact CB-CE1 3.47Å; W106-F126 HydrophobicContact CB-CE2 3.73Å; W106-F126 HydrophobicContact CB-CG 4.35Å; W106-F126 HydrophobicContact CB-CZ 3.33Å; W106-F126 HydrophobicContact CG-CE2 4.09Å; W106-F126 AromaticContact CG-CZ 3.93Å; W106-F126 HydrophobicContact CG-CZ 3.93Å; W106-F126 PolarHBondContact N-O 2.81Å; W106-F126 PolarHBondContact O-N 2.92Å; W106-F128 AromaticContact CD1-CE2 3.9Å; W106-F128 AromaticContact NE1-CE2 3.77Å
107L98.4Very high92.1Very high0 Ų049.3 Ų49.30%027%0.271CS..EExtended strand (participates in β ladder)trans-114.2132.3173.4-57.9178.9000108.9C58 I59 A61 V64 L72 F101 I109 F123 V124C58-L107 CarbonylContact C-O 3.53Å; C58-L107 VanDerWaalsContact CA-O 3.31Å; C58-L107 WeakPolarHBondContact CA-O 3.44Å; I59-L107 HydrophobicContact CG2-CB 4.38Å; I59-L107 PolarHBondContact N-O 2.88Å; I59-L107 PolarHBondContact O-N 3.19Å; A61-L107 HydrophobicContact CB-CD1 3.88Å; A61-L107 HydrophobicContact CB-CD2 4.44Å; A61-L107 HydrophobicContact CB-CG 3.91Å; V64-L107 HydrophobicContact CB-CD1 4.48Å; V64-L107 HydrophobicContact CG2-CD1 3.91Å; L72-L107 HydrophobicContact CD1-CD1 3.98Å; F101-L107 HydrophobicContact CD1-CD1 3.94Å; F101-L107 HydrophobicContact CD1-CD2 3.93Å; F101-L107 HydrophobicContact CE1-CD1 4.34Å; F101-L107 HydrophobicContact CE1-CD2 4.14Å; L107-I109 HydrophobicContact CB-CG1 4.11Å; L107-F123 HydrophobicContact CD2-CD2 4.35Å; L107-V124 CarbonylContact C-O 3.58Å; L107-V124 VanDerWaalsContact CA-O 3.3Å; L107-V124 WeakPolarHBondContact CA-O 3.22Å
108I97.8Very high91.3Very high0 Ų050.7 Ų50.70%028%0.281CS..EExtended strand (participates in β ladder)trans-102.9110.9160-68.3157.5000106V56 E57 C58 F123 V124 F126 L157 L160 L161 I164V56-I108 HydrophobicContact CG1-CG2 3.28Å; E57-I108 CarbonylContact O-C 3.53Å; E57-I108 VanDerWaalsContact O-CA 3.26Å; E57-I108 WeakPolarHBondContact O-CA 3.36Å; C58-I108 HydrophobicContact CB-CG1 4.21Å; I108-F123 CarbonylContact O-C 3.5Å; I108-F123 WeakPolarHBondContact O-CA 3.42Å; I108-F123 WeakPolarHBondContact O-CB 3.26Å; I108-V124 HydrophobicContact CB-CB 4.28Å; I108-V124 PolarHBondContact N-O 3Å; I108-V124 PolarHBondContact O-N 2.83Å; I108-F126 HydrophobicContact CD1-CD1 4.27Å; I108-F126 HydrophobicContact CD1-CE1 3.66Å; I108-F126 HydrophobicContact CD1-CZ 4.47Å; I108-F126 HydrophobicContact CG1-CE1 3.91Å; I108-L157 HydrophobicContact CG2-CD2 3.62Å; I108-L160 HydrophobicContact CD1-CD2 3.71Å; I108-L160 HydrophobicContact CD1-CG 4.05Å; I108-L160 HydrophobicContact CG1-CD2 4.24Å; I108-L160 HydrophobicContact CG2-CD2 4Å; I108-L161 HydrophobicContact CD1-CD2 3.73Å; I108-I164 HydrophobicContact CD1-CD1 4.06Å
109I97.6Very high90.9Very high1 Ų149.5 Ų49.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-101.3124.7-178.3-55.8174.5000108V56 E57 I59 V64 V68 L72 L107 R111V56-I109 WeakPolarHBondContact CA-O 3.49Å; E57-I109 HydrophobicContact CG-CB 3.83Å; E57-I109 PolarHBondContact N-O 3.3Å; E57-I109 PolarHBondContact O-N 2.96Å; I59-I109 HydrophobicContact CG2-CD1 4.18Å; V64-I109 HydrophobicContact CG1-CD1 4.25Å; V64-I109 HydrophobicContact CG2-CD1 4.27Å; V68-I109 HydrophobicContact CG1-CD1 4.03Å; L72-I109 HydrophobicContact CD1-CD1 4.11Å; L72-I109 HydrophobicContact CD1-CG1 4.18Å; L107-I109 HydrophobicContact CB-CG1 4.11Å; I109-R111 HydrophobicContact CG2-CG 4.1Å
110C95.6Very high90.8Very high1 Ų146 Ų461%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-100.9122.3177.6-170.30000108.2I54 T55 V56 A121 G122I54-C110 WeakPolarHBondContact CG2-SG 3.37Å; T55-C110 WeakPolarHBondContact O-CA 3.25Å; V56-C110 HydrophobicContact CG2-CB 4.36Å; C110-A121 HydrophobicContact CB-CB 4.36Å; C110-A121 PolarHBondContact O-N 2.99Å; C110-G122 WeakPolarHBondContact CB-O 3.22Å; C110-G122 PolarHBondContact N-O 2.95Å; C110-G122 PolarHBondContact O-N 2.58Å
111R94.7Very high90.7Very high37 Ų3746 Ų4614%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-116.6144.2-179.5-62.1-178.4-175.3-84.21.2110.3I54 T55 E57 I109 Q118 S119I54-R111 CarbonylContact C-O 3.52Å; I54-R111 VanDerWaalsContact CA-O 3.28Å; I54-R111 WeakPolarHBondContact CA-O 3.42Å; T55-R111 PolarHBondContact N-O 3.12Å; T55-R111 PolarHBondContact O-N 3.01Å; E57-R111 IonicContact OE1-CZ 3.68Å; E57-R111 VanDerWaalsContact OE1-CZ 3.28Å; E57-R111 IonicContact OE1-NE 2.75Å; E57-R111 PolarHBondContact OE1-NE 2.96Å; E57-R111 IonicContact OE1-NH2 3.66Å; E57-R111 PolarHBondContact OE1-NH2 2.86Å; I109-R111 HydrophobicContact CG2-CG 4.1Å; R111-Q118 HydrophobicContact CB-CG 3.94Å; R111-Q118 HydrophobicContact CG-CG 4.5Å; R111-S119 CarbonylContact C-O 3.46Å; R111-S119 VanDerWaalsContact CA-O 3.25Å; R111-S119 WeakPolarHBondContact CA-O 3.24Å
112C91Very high90.6Very high2 Ų245 Ų451%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-105.1118.8171-179.70000108.6I54 Q118 S119 A121 F148I54-C112 HydrophobicContact CD1-CB 3.81Å; C112-Q118 WeakPolarHBondContact O-CA 2.89Å; C112-S119 PolarHBondContact N-O 2.78Å; C112-S119 PolarHBondContact O-N 2.87Å; C112-A121 HydrophobicContact CB-CB 4.33Å; C112-F148 HydrophobicContact CB-CE1 3.73Å; C112-F148 HydrophobicContact CB-CE2 4.44Å; C112-F148 HydrophobicContact CB-CZ 3.52Å
113Q86Confident90.7Very high78 Ų7843.6 Ų43.636%0.36424%0.238SC..EExtended strand (participates in β ladder)trans-89.7119.1170.6-176.568.242.700109.1V53V53-Q113 HydrophobicContact CB-CB 4.06Å; V53-Q113 HydrophobicContact CG1-CB 4.22Å; V53-Q113 PolarHBondContact O-N 3.11Å
114T75.9Confident90.8Very high52 Ų5239.5 Ų39.532%0.31921%0.21SC..  trans-103.4173.816766.50000109.4E116 S117T114-E116 PolarHBondContact O-N 2.92Å; T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 PolarHBondContact OG1-N 3.19Å; T114-S117 PolarHBondContact OG1-O 2.79Å; T114-S117 PolarHBondContact OG1-OG 2.8Å
115S71.8Confident90.9Very high123 Ų12332.6 Ų32.686%0.8618%0.18SC*.SBendtrans-59.8-25175.247.80000113.4
116E70.4Confident90.9Very high181 Ų18132.6 Ų32.685%0.84618%0.18SC*.SBendtrans-112.5-26.7-170.1-65.6174.4-170.800113.2T114T114-E116 PolarHBondContact O-N 2.92Å
117S77.1Confident90.9Very high63 Ų6333.7 Ų33.744%0.44118%0.184SC..  trans-155.1155.3-174.365.80000113.5T114T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 PolarHBondContact OG1-N 3.19Å; T114-S117 PolarHBondContact OG1-O 2.79Å; T114-S117 PolarHBondContact OG1-OG 2.8Å
118Q82.5Confident90.9Very high99 Ų9934 Ų3446%0.46319%0.185SC..EExtended strand (participates in β ladder)trans-101.3118.3165-166.1179.123.300108.5R111 C112R111-Q118 HydrophobicContact CB-CG 3.94Å; R111-Q118 HydrophobicContact CG-CG 4.5Å; C112-Q118 WeakPolarHBondContact O-CA 2.89Å
119S90.2Very high91Very high41 Ų4136.6 Ų36.629%0.28720%0.197SC..EExtended strand (participates in β ladder)trans-116.4156.6179.254.80000111.2R111 C112 A121R111-S119 CarbonylContact C-O 3.46Å; R111-S119 VanDerWaalsContact CA-O 3.25Å; R111-S119 WeakPolarHBondContact CA-O 3.24Å; C112-S119 PolarHBondContact N-O 2.78Å; C112-S119 PolarHBondContact O-N 2.87Å; S119-A121 PolarHBondContact O-N 3.35Å
120I94.9Very high90.9Very high3 Ų339.1 Ų39.12%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-72.7125.7172-63.7-176.4000109V68 E71 L72 Y145V68-I120 HydrophobicContact CG1-CD1 3.98Å; E71-I120 HydrophobicContact CB-CD1 3.92Å; E71-I120 HydrophobicContact CG-CD1 3.75Å; E71-I120 HydrophobicContact CG-CG1 4.37Å; E71-I120 VanDerWaalsContact OE1-CB 3.3Å; E71-I120 WeakPolarHBondContact OE1-CB 3.29Å; E71-I120 WeakPolarHBondContact OE1-CG1 3.46Å; E71-I120 VanDerWaalsContact OE2-CD1 3.27Å; E71-I120 WeakPolarHBondContact OE2-CD1 3.42Å; L72-I120 HydrophobicContact CD2-CD1 3.59Å; L72-I120 HydrophobicContact CD2-CG2 3.74Å; L72-I120 HydrophobicContact CG-CD1 4.18Å; I120-Y145 HydrophobicContact CG2-CE2 4.44Å; I120-Y145 WeakPolarHBondContact O-CD2 3.43Å; I120-Y145 WeakPolarHBondContact O-CE2 3.48Å
121A94.8Very high90.9Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-87.5-31.9169.700000111.6C110 C112 S119 Y145 F148C110-A121 HydrophobicContact CB-CB 4.36Å; C110-A121 PolarHBondContact O-N 2.99Å; C112-A121 HydrophobicContact CB-CB 4.33Å; S119-A121 PolarHBondContact O-N 3.35Å; A121-Y145 PolarHBondContact O-N 3.13Å; A121-F148 VanDerWaalsContact CA-CD2 3.43Å; A121-F148 HydrophobicContact CB-CB 4.33Å; A121-F148 HydrophobicContact CB-CD1 4.09Å; A121-F148 HydrophobicContact CB-CD2 3.55Å; A121-F148 HydrophobicContact CB-CE1 4.28Å; A121-F148 HydrophobicContact CB-CE2 3.77Å; A121-F148 HydrophobicContact CB-CG 3.73Å; A121-F148 HydrophobicContact CB-CZ 4.14Å
122G97.8Very high90.7Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans163-164.2170.700000112.7C110 Q143C110-G122 WeakPolarHBondContact CB-O 3.22Å; C110-G122 PolarHBondContact N-O 2.95Å; C110-G122 PolarHBondContact O-N 2.58Å; G122-Q143 CarbonylContact C-O 3.51Å; G122-Q143 WeakPolarHBondContact CA-O 3.11Å
123F98.6Very high90.8Very high0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-156164.9-177.274.3-75.9000113.4L72 L75 L76 F101 L107 I108 E141 Q143L72-F123 HydrophobicContact CB-CD1 4.1Å; L72-F123 HydrophobicContact CB-CE1 4.05Å; L72-F123 HydrophobicContact CB-CG 4.49Å; L72-F123 HydrophobicContact CB-CZ 4.42Å; L72-F123 HydrophobicContact CD1-CB 4.33Å; L72-F123 HydrophobicContact CD1-CD2 4.43Å; L72-F123 HydrophobicContact CD1-CG 4.22Å; L72-F123 HydrophobicContact CD2-CB 3.83Å; L72-F123 HydrophobicContact CD2-CD1 3.65Å; L72-F123 HydrophobicContact CD2-CE1 4.41Å; L72-F123 HydrophobicContact CD2-CG 3.86Å; L72-F123 HydrophobicContact CG-CD1 4.31Å; L72-F123 HydrophobicContact CG-CG 4.41Å; L72-F123 WeakPolarHBondContact O-CE1 3.34Å; L75-F123 HydrophobicContact CD2-CD1 4.12Å; L75-F123 HydrophobicContact CD2-CE1 4.34Å; L76-F123 HydrophobicContact CB-CE1 4.47Å; L76-F123 HydrophobicContact CB-CZ 4.26Å; F101-F123 HydrophobicContact CE1-CD2 4.35Å; F101-F123 AromaticContact CE1-CE2 3.8Å; F101-F123 HydrophobicContact CE1-CE2 3.8Å; F101-F123 HydrophobicContact CE1-CZ 4.15Å; F101-F123 AromaticContact CZ-CE2 3.96Å; F101-F123 HydrophobicContact CZ-CE2 3.96Å; F101-F123 AromaticContact CZ-CZ 3.84Å; F101-F123 HydrophobicContact CZ-CZ 3.84Å; L107-F123 HydrophobicContact CD2-CD2 4.35Å; I108-F123 CarbonylContact O-C 3.5Å; I108-F123 WeakPolarHBondContact O-CA 3.42Å; I108-F123 WeakPolarHBondContact O-CB 3.26Å; F123-E141 HydrophobicContact CE2-CB 3.75Å; F123-E141 HydrophobicContact CE2-CG 4.36Å; F123-E141 HydrophobicContact CZ-CB 4.1Å; F123-E141 HydrophobicContact CZ-CG 4.47Å; F123-Q143 HydrophobicContact CD1-CB 3.94Å; F123-Q143 HydrophobicContact CD1-CG 4.5Å; F123-Q143 HydrophobicContact CE1-CB 3.59Å; F123-Q143 HydrophobicContact CE1-CG 3.74Å; F123-Q143 HydrophobicContact CZ-CB 4.25Å; F123-Q143 HydrophobicContact CZ-CG 3.91Å; F123-Q143 PolarHBondContact N-O 3.39Å; F123-Q143 PolarHBondContact O-N 3.44Å
124V98.8Very high91.2Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-120.8137.1162174.70000109L107 I108 F126 E141 I142 L157 L161L107-V124 CarbonylContact C-O 3.58Å; L107-V124 VanDerWaalsContact CA-O 3.3Å; L107-V124 WeakPolarHBondContact CA-O 3.22Å; I108-V124 HydrophobicContact CB-CB 4.28Å; I108-V124 PolarHBondContact N-O 3Å; I108-V124 PolarHBondContact O-N 2.83Å; V124-F126 HydrophobicContact CG1-CD1 4.2Å; V124-E141 CarbonylContact C-O 3.58Å; V124-E141 WeakPolarHBondContact CA-O 3.38Å; V124-E141 WeakPolarHBondContact CG1-O 3.37Å; V124-I142 HydrophobicContact CG2-CB 4.1Å; V124-I142 HydrophobicContact CG2-CD1 4.08Å; V124-I142 HydrophobicContact CG2-CG1 3.9Å; V124-L157 HydrophobicContact CG2-CB 3.77Å; V124-L157 HydrophobicContact CG2-CD1 4.07Å; V124-L157 HydrophobicContact CG2-CD2 4.39Å; V124-L157 HydrophobicContact CG2-CG 4.29Å; V124-L161 HydrophobicContact CG1-CD1 3.8Å; V124-L161 HydrophobicContact CG1-CD2 3.98Å; V124-L161 HydrophobicContact CG1-CG 4.17Å
125S98.8Very high92.3Very high0 Ų043.5 Ų43.50%023%0.234CC..EExtended strand (participates in β ladder)trans-111.5132.4165.6-177.60000109.8A100 W106 Y140 E141A100-S125 WeakPolarHBondContact O-CB 3.4Å; A100-S125 PolarHBondContact O-OG 2.9Å; W106-S125 WeakPolarHBondContact O-CA 3.28Å; S125-Y140 PolarHBondContact O-N 3.08Å; S125-E141 PolarHBondContact N-O 3.01Å; S125-E141 PolarHBondContact O-N 2.81Å; S125-E141 VanDerWaalsContact O-N 3.08Å
126F98.8Very high93.6Very high0 Ų037.6 Ų37.60%019%0.193CC..EExtended strand (participates in β ladder)trans-149164.2179.170.5-84.5000112.8L34 W106 I108 V124 F128 L137 Y138 L161 I164L34-F126 HydrophobicContact CD1-CE2 4.08Å; L34-F126 HydrophobicContact CD1-CZ 3.64Å; W106-F126 HydrophobicContact CB-CD1 4Å; W106-F126 HydrophobicContact CB-CD2 4.21Å; W106-F126 HydrophobicContact CB-CE1 3.47Å; W106-F126 VanDerWaalsContact CB-CE1 3.47Å; W106-F126 HydrophobicContact CB-CE2 3.73Å; W106-F126 HydrophobicContact CB-CG 4.35Å; W106-F126 HydrophobicContact CB-CZ 3.33Å; W106-F126 HydrophobicContact CG-CE2 4.09Å; W106-F126 AromaticContact CG-CZ 3.93Å; W106-F126 HydrophobicContact CG-CZ 3.93Å; W106-F126 PolarHBondContact N-O 2.81Å; W106-F126 PolarHBondContact O-N 2.92Å; I108-F126 HydrophobicContact CD1-CD1 4.27Å; I108-F126 HydrophobicContact CD1-CE1 3.66Å; I108-F126 HydrophobicContact CD1-CZ 4.47Å; I108-F126 HydrophobicContact CG1-CE1 3.91Å; V124-F126 HydrophobicContact CG1-CD1 4.2Å; F126-F128 HydrophobicContact CD2-CZ 4.47Å; F126-F128 HydrophobicContact CE2-CE1 4.28Å; F126-F128 HydrophobicContact CE2-CE2 4.2Å; F126-F128 AromaticContact CE2-CZ 3.76Å; F126-F128 HydrophobicContact CE2-CZ 3.76Å; F126-L137 HydrophobicContact CB-CD2 3.72Å; F126-L137 HydrophobicContact CB-CG 4.47Å; F126-L137 HydrophobicContact CD2-CD1 3.83Å; F126-L137 HydrophobicContact CD2-CD2 3.85Å; F126-L137 HydrophobicContact CD2-CG 3.71Å; F126-L137 HydrophobicContact CE2-CD1 4.02Å; F126-L137 HydrophobicContact CE2-CG 4.37Å; F126-L137 HydrophobicContact CG-CD2 3.99Å; F126-L137 HydrophobicContact CG-CG 4.38Å; F126-Y138 CarbonylContact C-O 3.56Å; F126-Y138 WeakPolarHBondContact CA-O 3.42Å; F126-Y138 VanDerWaalsContact CB-O 3.26Å; F126-Y138 WeakPolarHBondContact CB-O 3.25Å; F126-L161 HydrophobicContact CB-CD2 4.32Å; F126-L161 HydrophobicContact CD1-CD2 3.56Å; F126-L161 HydrophobicContact CD2-CD2 4.39Å; F126-L161 HydrophobicContact CE1-CD2 3.88Å; F126-L161 HydrophobicContact CG-CD2 3.83Å; F126-L161 HydrophobicContact CZ-CD2 4.4Å; F126-I164 HydrophobicContact CE2-CG2 4.39Å; F126-I164 HydrophobicContact CZ-CD1 4.07Å
127R98.6Very high94.9Very high27 Ų2729 Ų2910%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-140.9160.8178.1-61.4-177-169.9161.74.1111.6E99 S105 E129 L137 Y138 Y140E99-R127 PolarHBondContact O-NH2 2.76Å; S105-R127 PolarHBondContact OG-NE 2.84Å; R127-E129 HydrophobicContact CB-CG 4.01Å; R127-E129 VanDerWaalsContact CD-OE1 3.24Å; R127-E129 WeakPolarHBondContact CD-OE1 3.14Å; R127-E129 IonicContact NH1-OE1 2.66Å; R127-L137 CarbonylContact O-C 3.6Å; R127-L137 WeakPolarHBondContact O-CA 3.14Å; R127-Y138 PolarHBondContact N-O 2.95Å; R127-Y138 PolarHBondContact O-N 2.81Å; R127-Y140 HydrophobicContact CB-CD2 4.3Å; R127-Y140 HydrophobicContact CB-CE2 3.93Å; R127-Y140 HydrophobicContact CG-CD2 3.97Å; R127-Y140 HydrophobicContact CG-CE2 3.79Å; R127-Y140 PolarHBondContact NH1-OH 3.14Å; R127-Y140 VanDerWaalsContact NH1-OH 3.15Å
128F98.4Very high95.9Very high5 Ų527.5 Ų27.52%0.02214%0.137CC..EExtended strand (participates in β ladder)trans-99119.9167.8-54.6-69000109.4V25 A28 N29 L34 W106 F126 V136 L137 I164 L168 M170V25-F128 HydrophobicContact CG1-CB 4.33Å; V25-F128 WeakPolarHBondContact CG1-O 3.45Å; A28-F128 HydrophobicContact CB-CB 4.06Å; A28-F128 HydrophobicContact CB-CD1 4.13Å; A28-F128 HydrophobicContact CB-CD2 3.73Å; A28-F128 HydrophobicContact CB-CE2 4.19Å; A28-F128 HydrophobicContact CB-CG 3.69Å; N29-F128 PolarHBondContact ND2-O 3.41Å; L34-F128 HydrophobicContact CD1-CE2 4.48Å; L34-F128 HydrophobicContact CD1-CZ 4.4Å; L34-F128 HydrophobicContact CD2-CE2 4.15Å; L34-F128 HydrophobicContact CD2-CZ 4.01Å; W106-F128 AromaticContact CD1-CE2 3.9Å; W106-F128 AromaticContact NE1-CE2 3.77Å; F126-F128 HydrophobicContact CD2-CZ 4.47Å; F126-F128 HydrophobicContact CE2-CE1 4.28Å; F126-F128 HydrophobicContact CE2-CE2 4.2Å; F126-F128 AromaticContact CE2-CZ 3.76Å; F126-F128 HydrophobicContact CE2-CZ 3.76Å; F128-V136 WeakPolarHBondContact CA-O 3.4Å; F128-L137 HydrophobicContact CD1-CB 4.4Å; F128-L137 HydrophobicContact CD1-CG 4.44Å; F128-L137 HydrophobicContact CE1-CB 4.41Å; F128-L137 HydrophobicContact CE1-CD1 3.93Å; F128-L137 HydrophobicContact CE1-CG 4.15Å; F128-I164 HydrophobicContact CE1-CG2 4.06Å; F128-I164 HydrophobicContact CZ-CG2 3.82Å; F128-L168 HydrophobicContact CD1-CD1 4.23Å; F128-L168 HydrophobicContact CE1-CD1 3.33Å; F128-L168 HydrophobicContact CE2-CD1 3.93Å; F128-L168 HydrophobicContact CZ-CD1 3.15Å; F128-M170 HydrophobicContact CB-SD 4.43Å; F128-M170 HydrophobicContact CD1-CG 3.89Å; F128-M170 HydrophobicContact CD1-SD 3.86Å; F128-M170 HydrophobicContact CE1-CG 4.21Å
129E98Very high96.7Very high55 Ų5523 Ų2326%0.25712%0.117SC..EExtended strand (participates in β ladder)trans-137.2164.2-174.1-58.7-162.3172.100110.9V25 R127 V136 Y140V25-E129 VanDerWaalsContact CG2-O 3.22Å; V25-E129 WeakPolarHBondContact CG2-O 3.45Å; R127-E129 HydrophobicContact CB-CG 4.01Å; R127-E129 VanDerWaalsContact CD-OE1 3.24Å; R127-E129 WeakPolarHBondContact CD-OE1 3.14Å; R127-E129 IonicContact NH1-OE1 2.66Å; E129-V136 HydrophobicContact CB-CG2 4.48Å; E129-V136 PolarHBondContact N-O 3.02Å; E129-V136 WeakPolarHBondContact O-CG2 3.19Å; E129-V136 PolarHBondContact O-N 3.05Å; E129-Y140 PolarHBondContact OE1-OH 3.01Å; E129-Y140 PolarHBondContact OE2-OH 2.88Å
130C96.9Very high97.1Very high55 Ų5523.2 Ų23.237%0.37211%0.112SC..EExtended strand (participates in β ladder)trans-98.8121.1169.1-65.20000107.7H134C130-H134 WeakPolarHBondContact CA-O 3.36Å
131E94.7Very high97.3Very high59 Ų5923.6 Ų23.628%0.27611%0.113SC..EExtended strand (participates in β ladder)trans-107.2113.7167.3-171.860.3-115.800107.6E133 H134 V136 M174 T198E131-E133 PolarHBondContact O-N 2.85Å; E131-E133 VanDerWaalsContact O-N 3.17Å; E131-H134 PolarHBondContact N-O 3.45Å; E131-H134 WeakPolarHBondContact O-CA 3.38Å; E131-H134 WeakPolarHBondContact O-CB 3.3Å; E131-H134 PolarHBondContact O-N 2.85Å; E131-V136 HydrophobicContact CB-CG1 4.11Å; E131-V136 HydrophobicContact CB-CG2 4Å; E131-M174 HydrophobicContact CB-SD 3.95Å; E131-M174 HydrophobicContact CG-CE 4.05Å; E131-M174 HydrophobicContact CG-SD 3.95Å; E131-T198 HydrophobicContact CG-CG2 3.97Å
132E90.7Very high97.5Very high102 Ų10225.1 Ų25.148%0.47712%0.121SC..THydrogen-bonded Turntrans47-114.4-168.9-65.9-65.117700114.4K18K18-E132 IonicContact NZ-OE2 3.06Å; K18-E132 PolarHBondContact NZ-OE2 2.79Å
133E92.7Very high97.5Very high46 Ų4625.8 Ų25.822%0.21512%0.124CC..THydrogen-bonded Turntrans-89.64.7176.2-66.977.8-155.400114.3I14 K17 K18 A21 E131I14-E133 HydrophobicContact CG2-CG 4.3Å; I14-E133 VanDerWaalsContact CG2-OE1 3.24Å; I14-E133 WeakPolarHBondContact CG2-OE1 3.19Å; K17-E133 HydrophobicContact CB-CB 3.82Å; K17-E133 HydrophobicContact CB-CG 3.89Å; K17-E133 HydrophobicContact CD-CB 4.35Å; K17-E133 HydrophobicContact CD-CG 4.38Å; K18-E133 WeakPolarHBondContact CE-OE1 3.4Å; K18-E133 HydrophobicContact CG-CB 4.44Å; K18-E133 HydrophobicContact CG-CG 3.83Å; K18-E133 IonicContact NZ-OE1 2.77Å; A21-E133 WeakPolarHBondContact CB-O 3.45Å; E131-E133 PolarHBondContact O-N 2.85Å; E131-E133 VanDerWaalsContact O-N 3.17Å
134H96Very high97.5Very high41 Ų4126.6 Ų26.619%0.1913%0.128CC..EExtended strand (participates in β ladder)trans-116.1130.1-167.3-60.9-85.6000112.5C130 E131 V136 H171 R172C130-H134 WeakPolarHBondContact CA-O 3.36Å; E131-H134 PolarHBondContact N-O 3.45Å; E131-H134 WeakPolarHBondContact O-CA 3.38Å; E131-H134 WeakPolarHBondContact O-CB 3.3Å; E131-H134 PolarHBondContact O-N 2.85Å; H134-V136 HydrophobicContact CB-CG1 4.17Å; H134-H171 HydrophobicContact CB-CB 4.22Å; H134-H171 AromaticContact CE1-CD2 3.79Å; H134-H171 AromaticContact CE1-NE2 3.56Å; H134-H171 AromaticContact CG-CD2 3.55Å; H134-H171 AromaticContact ND1-CD2 3.02Å; H134-H171 PolarHBondContact ND1-CD2 3.12Å; H134-H171 AromaticContact ND1-CE1 3.93Å; H134-H171 AromaticContact ND1-CG 3.56Å; H134-H171 AromaticContact ND1-NE2 3.27Å; H134-H171 PolarHBondContact ND1-NE2 2.85Å; H134-R172 PolarHBondContact CD2-NH2 3.02Å; H134-R172 VanDerWaalsContact CG-NH2 3.29Å; H134-R172 PolarHBondContact NE2-NH2 3.18Å
135P97.8Very high97.4Very high13 Ų1328.1 Ų28.18%0.08413%0.134CC..EExtended strand (participates in β ladder)trans-74.1129.5166.732.4-32.8000108.8A21 L24 V25 M170 H171A21-P135 HydrophobicContact CB-CB 4.28Å; A21-P135 HydrophobicContact CB-CG 4.37Å; L24-P135 HydrophobicContact CB-CB 4.12Å; L24-P135 HydrophobicContact CB-CG 4.39Å; L24-P135 HydrophobicContact CD1-CB 4.46Å; L24-P135 HydrophobicContact CD1-CG 3.82Å; V25-P135 HydrophobicContact CG2-CB 3.75Å; P135-M170 HydrophobicContact CB-CE 3.91Å; P135-M170 HydrophobicContact CB-SD 3.92Å; P135-M170 CarbonylContact O-C 3.5Å; P135-H171 HydrophobicContact CG-CB 4.45Å; P135-H171 WeakPolarHBondContact O-CB 3.5Å; P135-H171 PolarHBondContact O-N 2.68Å
136V98.5Very high97.2Very high0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-134.4152.7-174.6-56.50000112F128 E129 E131 H134 R172 M174F128-V136 WeakPolarHBondContact CA-O 3.4Å; E129-V136 HydrophobicContact CB-CG2 4.48Å; E129-V136 PolarHBondContact N-O 3.02Å; E129-V136 WeakPolarHBondContact O-CG2 3.19Å; E129-V136 PolarHBondContact O-N 3.05Å; E131-V136 HydrophobicContact CB-CG1 4.11Å; E131-V136 HydrophobicContact CB-CG2 4Å; H134-V136 HydrophobicContact CB-CG1 4.17Å; V136-R172 WeakPolarHBondContact CA-O 3.3Å; V136-R172 HydrophobicContact CB-CG 4.38Å; V136-R172 HydrophobicContact CG1-CG 3.6Å; V136-M174 HydrophobicContact CB-CG 4.23Å; V136-M174 HydrophobicContact CB-SD 4.06Å; V136-M174 HydrophobicContact CG1-CG 4.3Å; V136-M174 HydrophobicContact CG1-SD 3.75Å; V136-M174 HydrophobicContact CG2-SD 4.03Å
137L98.6Very high96.8Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-94.9113.2162.1-172.5162.6000107.6F126 R127 F128 L161 I164 M170 R172 V173 M174F126-L137 HydrophobicContact CB-CD2 3.72Å; F126-L137 HydrophobicContact CB-CG 4.47Å; F126-L137 HydrophobicContact CD2-CD1 3.83Å; F126-L137 HydrophobicContact CD2-CD2 3.85Å; F126-L137 HydrophobicContact CD2-CG 3.71Å; F126-L137 HydrophobicContact CE2-CD1 4.02Å; F126-L137 HydrophobicContact CE2-CG 4.37Å; F126-L137 HydrophobicContact CG-CD2 3.99Å; F126-L137 HydrophobicContact CG-CG 4.38Å; R127-L137 CarbonylContact O-C 3.6Å; R127-L137 WeakPolarHBondContact O-CA 3.14Å; F128-L137 HydrophobicContact CD1-CB 4.4Å; F128-L137 HydrophobicContact CD1-CG 4.44Å; F128-L137 HydrophobicContact CE1-CB 4.41Å; F128-L137 HydrophobicContact CE1-CD1 3.93Å; F128-L137 HydrophobicContact CE1-CG 4.15Å; L137-L161 HydrophobicContact CD1-CB 4.35Å; L137-L161 HydrophobicContact CD1-CD2 4.29Å; L137-L161 HydrophobicContact CD2-CB 4.17Å; L137-L161 HydrophobicContact CD2-CD1 3.87Å; L137-L161 HydrophobicContact CD2-CD2 4.07Å; L137-L161 HydrophobicContact CD2-CG 4.27Å; L137-I164 HydrophobicContact CD1-CB 4.16Å; L137-I164 HydrophobicContact CD1-CG2 3.89Å; L137-M170 HydrophobicContact CB-CG 4.48Å; L137-R172 PolarHBondContact N-O 3.37Å; L137-V173 HydrophobicContact CB-CG2 4.31Å; L137-V173 HydrophobicContact CD2-CG1 4.16Å; L137-V173 CarbonylContact O-C 3.58Å; L137-V173 VanDerWaalsContact O-CA 3.28Å; L137-V173 WeakPolarHBondContact O-CA 3.49Å; L137-M174 PolarHBondContact O-N 3.43Å
138Y98.8Very high96.6Very high31 Ų3136.9 Ų36.912%0.12218%0.183CC..EExtended strand (participates in β ladder)trans-96.3114.9178.3-149.2-70.1000110.1F126 R127 Y140 M174 T176F126-Y138 CarbonylContact C-O 3.56Å; F126-Y138 WeakPolarHBondContact CA-O 3.42Å; F126-Y138 VanDerWaalsContact CB-O 3.26Å; F126-Y138 WeakPolarHBondContact CB-O 3.25Å; R127-Y138 PolarHBondContact N-O 2.95Å; R127-Y138 PolarHBondContact O-N 2.81Å; Y138-Y140 HydrophobicContact CD1-CD2 4.06Å; Y138-Y140 HydrophobicContact CD1-CE2 4.03Å; Y138-Y140 HydrophobicContact CG-CE2 4.25Å; Y138-Y140 PolarHBondContact O-N 3.3Å; Y138-M174 HydrophobicContact CD2-CB 3.83Å; Y138-M174 HydrophobicContact CE2-CB 3.95Å; Y138-M174 HydrophobicContact CG-CB 4.36Å; Y138-T176 PolarHBondContact OH-OG1 2.78Å
139C98.8Very high96.4Very high5 Ų541 Ų413%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-80.4103.4172.2177.70000108.9L161 M174 L175C139-L161 HydrophobicContact CB-CD1 3.72Å; C139-M174 PolarHBondContact N-O 3.47Å; C139-L175 HydrophobicContact CB-CB 4.15Å
140Y98.7Very high96.1Very high46 Ų4646.5 Ų46.518%0.1822%0.224CC..EExtended strand (participates in β ladder)trans-76-42178.3-87.2-97.6000111.7E99 S125 R127 E129 Y138E99-Y140 HydrophobicContact CG-CD1 3.67Å; E99-Y140 HydrophobicContact CG-CE1 3.72Å; S125-Y140 PolarHBondContact O-N 3.08Å; R127-Y140 HydrophobicContact CB-CD2 4.3Å; R127-Y140 HydrophobicContact CB-CE2 3.93Å; R127-Y140 HydrophobicContact CG-CD2 3.97Å; R127-Y140 HydrophobicContact CG-CE2 3.79Å; R127-Y140 PolarHBondContact NH1-OH 3.14Å; R127-Y140 VanDerWaalsContact NH1-OH 3.15Å; E129-Y140 PolarHBondContact OE1-OH 3.01Å; E129-Y140 PolarHBondContact OE2-OH 2.88Å; Y138-Y140 HydrophobicContact CD1-CD2 4.06Å; Y138-Y140 HydrophobicContact CD1-CE2 4.03Å; Y138-Y140 HydrophobicContact CG-CE2 4.25Å; Y138-Y140 PolarHBondContact O-N 3.3Å
141E98.6Very high95.8Very high10 Ų1047.5 Ų47.55%0.04723%0.225CC..EExtended strand (participates in β ladder)trans-141.6143.8-179.5-69.1-56.8153.400111.5L76 K96 A100 F123 V124 S125 Q143L76-E141 VanDerWaalsContact CD1-CD 3.44Å; L76-E141 HydrophobicContact CD1-CG 4.21Å; L76-E141 WeakPolarHBondContact CD1-OE2 3.26Å; L76-E141 HydrophobicContact CD2-CG 4.12Å; K96-E141 WeakPolarHBondContact CE-OE1 3.43Å; K96-E141 IonicContact NZ-OE1 2.81Å; K96-E141 PolarHBondContact NZ-OE1 2.84Å; A100-E141 HydrophobicContact CB-CG 3.93Å; F123-E141 HydrophobicContact CE2-CB 3.75Å; F123-E141 HydrophobicContact CE2-CG 4.36Å; F123-E141 HydrophobicContact CZ-CB 4.1Å; F123-E141 HydrophobicContact CZ-CG 4.47Å; V124-E141 CarbonylContact C-O 3.58Å; V124-E141 WeakPolarHBondContact CA-O 3.38Å; V124-E141 WeakPolarHBondContact CG1-O 3.37Å; S125-E141 PolarHBondContact N-O 3.01Å; S125-E141 PolarHBondContact O-N 2.81Å; S125-E141 VanDerWaalsContact O-N 3.08Å; E141-Q143 HydrophobicContact CB-CG 4.5Å; E141-Q143 PolarHBondContact OE2-NE2 3.14Å
142I98.7Very high95.8Very high32 Ų3250.3 Ų50.316%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-140.2112.8162.8177164.3000107.8V124 L157 M158 F187 F188V124-I142 HydrophobicContact CG2-CB 4.1Å; V124-I142 HydrophobicContact CG2-CD1 4.08Å; V124-I142 HydrophobicContact CG2-CG1 3.9Å; I142-L157 HydrophobicContact CD1-CB 4.31Å; I142-M158 HydrophobicContact CD1-CG 3.76Å; I142-M158 HydrophobicContact CD1-SD 3.65Å; I142-F187 HydrophobicContact CD1-CE1 4.3Å; I142-F188 HydrophobicContact CG2-CE1 4.24Å; I142-F188 HydrophobicContact CG2-CZ 3.78Å
143Q98.7Very high96Very high14 Ų1445.6 Ų45.67%0.06522%0.216CC..EExtended strand (participates in β ladder)trans-133.1134.7-172.4-57.3-60.4-22.800109.8L75 L76 N79 M80 G122 F123 E141L75-Q143 HydrophobicContact CD2-CB 3.99Å; L75-Q143 HydrophobicContact CG-CB 4Å; L76-Q143 HydrophobicContact CB-CG 4.45Å; L76-Q143 HydrophobicContact CD1-CG 3.89Å; N79-Q143 PolarHBondContact ND2-OE1 2.89Å; M80-Q143 VanDerWaalsContact CG-NE2 3.31Å; G122-Q143 CarbonylContact C-O 3.51Å; G122-Q143 WeakPolarHBondContact CA-O 3.11Å; F123-Q143 HydrophobicContact CD1-CB 3.94Å; F123-Q143 HydrophobicContact CD1-CG 4.5Å; F123-Q143 HydrophobicContact CE1-CB 3.59Å; F123-Q143 HydrophobicContact CE1-CG 3.74Å; F123-Q143 HydrophobicContact CZ-CB 4.25Å; F123-Q143 HydrophobicContact CZ-CG 3.91Å; F123-Q143 PolarHBondContact N-O 3.39Å; F123-Q143 PolarHBondContact O-N 3.44Å; E141-Q143 HydrophobicContact CB-CG 4.5Å; E141-Q143 PolarHBondContact OE2-NE2 3.14Å
144L97.9Very high96.2Very high17 Ų1743.9 Ų43.99%0.08921%0.21CC..EExtended strand (participates in β ladder)trans-132.8139.7173-67.2174.5000108.3N79 R149 I153 L157N79-L144 PolarHBondContact ND2-O 3.05Å; L144-R149 HydrophobicContact CB-CG 4.01Å; L144-R149 PolarHBondContact O-NE 3.49Å; L144-R149 PolarHBondContact O-NH2 2.53Å; L144-I153 HydrophobicContact CD1-CB 4.12Å; L144-I153 HydrophobicContact CD1-CG2 4.11Å; L144-I153 HydrophobicContact CD2-CG2 3.7Å; L144-L157 HydrophobicContact CD2-CD1 4.03Å
145Y95.9Very high96.2Very high32 Ų3243.5 Ų43.513%0.12521%0.211CC..  trans-60.6146.5167.7-78.9-76.8000110L75 I120 A121 Q147 F148L75-Y145 HydrophobicContact CB-CE1 4.3Å; L75-Y145 HydrophobicContact CB-CE2 4.19Å; L75-Y145 HydrophobicContact CD1-CD1 3.61Å; L75-Y145 HydrophobicContact CD1-CD2 3.97Å; L75-Y145 HydrophobicContact CD1-CE1 3.76Å; L75-Y145 HydrophobicContact CD1-CE2 4.13Å; L75-Y145 HydrophobicContact CD1-CG 3.7Å; L75-Y145 HydrophobicContact CD2-CD2 3.98Å; L75-Y145 HydrophobicContact CD2-CE2 3.97Å; L75-Y145 HydrophobicContact CG-CD2 4.47Å; L75-Y145 HydrophobicContact CG-CE2 4.32Å; I120-Y145 HydrophobicContact CG2-CE2 4.44Å; I120-Y145 WeakPolarHBondContact O-CD2 3.43Å; I120-Y145 WeakPolarHBondContact O-CE2 3.48Å; A121-Y145 PolarHBondContact O-N 3.13Å; Y145-Q147 PolarHBondContact O-N 3.29Å; Y145-Q147 VanDerWaalsContact O-N 3.11Å; Y145-F148 PolarHBondContact O-N 3.16Å
146P94.6Very high96.1Very high76 Ų7644 Ų4449%0.49421%0.212SC..G310 helixtrans-49.4-40.5-174.4-30.236.3000115.1F148 R149P146-F148 PolarHBondContact O-N 3.25Å; P146-R149 WeakPolarHBondContact O-CB 3.38Å; P146-R149 PolarHBondContact O-N 2.95Å; P146-R149 VanDerWaalsContact O-N 3.16Å
147Q91.9Very high96.1Very high121 Ų12144 Ų4457%0.56521%0.212SC*.G310 helixtrans-67.6-15.3-179.767.1-84.220.300114.7Y145Y145-Q147 PolarHBondContact O-N 3.29Å; Y145-Q147 VanDerWaalsContact O-N 3.11Å
148F92.9Very high96Very high14 Ų1444 Ų446%0.06121%0.212CC..G310 helixtrans-104.96176.2-59.7-67.9000112.8I54 C112 A121 Y145 P146 I153I54-F148 HydrophobicContact CD1-CD1 4.35Å; I54-F148 HydrophobicContact CD1-CE1 4.25Å; C112-F148 HydrophobicContact CB-CE1 3.73Å; C112-F148 HydrophobicContact CB-CE2 4.44Å; C112-F148 HydrophobicContact CB-CZ 3.52Å; A121-F148 VanDerWaalsContact CA-CD2 3.43Å; A121-F148 HydrophobicContact CB-CB 4.33Å; A121-F148 HydrophobicContact CB-CD1 4.09Å; A121-F148 HydrophobicContact CB-CD2 3.55Å; A121-F148 HydrophobicContact CB-CE1 4.28Å; A121-F148 HydrophobicContact CB-CE2 3.77Å; A121-F148 HydrophobicContact CB-CG 3.73Å; A121-F148 HydrophobicContact CB-CZ 4.14Å; Y145-F148 PolarHBondContact O-N 3.16Å; P146-F148 PolarHBondContact O-N 3.25Å; F148-I153 HydrophobicContact CB-CD1 3.97Å; F148-I153 HydrophobicContact CD1-CD1 4.38Å
149R94.3Very high95.9Very high92 Ų9245.8 Ų45.835%0.34722%0.224SC..THydrogen-bonded Turntrans-83.7159.3175.1-61.8179.4-167.31625.4110.9N79 L144 P146 L151N79-R149 PolarHBondContact ND2-NH2 3.32Å; N79-R149 PolarHBondContact OD1-NH2 2.89Å; L144-R149 HydrophobicContact CB-CG 4.01Å; L144-R149 PolarHBondContact O-NE 3.49Å; L144-R149 PolarHBondContact O-NH2 2.53Å; P146-R149 WeakPolarHBondContact O-CB 3.38Å; P146-R149 PolarHBondContact O-N 2.95Å; P146-R149 VanDerWaalsContact O-N 3.16Å; R149-L151 PolarHBondContact O-N 2.83Å
150H91.8Very high95.8Very high171 Ų17146 Ų4679%0.79223%0.225SC*.THydrogen-bonded Turntrans60.812.4-179.1-50.1-70.1000114.6
151L91.8Very high95.7Very high76 Ų7643.9 Ų43.940%0.39822%0.216SC..SBendtrans-102.424.3173.1-56.5-178.1000111.7L48 R149 I153L48-L151 WeakPolarHBondContact CD2-O 3.3Å; R149-L151 PolarHBondContact O-N 2.83Å; L151-I153 HydrophobicContact CB-CD1 4.3Å; L151-I153 HydrophobicContact CB-CG1 4.35Å; L151-I153 PolarHBondContact O-N 3.01Å
152H93.9Very high95.6Very high117 Ų11744.5 Ų44.554%0.54222%0.22SC..SBendtrans58.62.1-176.7-62.7-78.5000117.2Y47 L48 G154 T155 F156Y47-H152 HydrophobicContact CE2-CB 4.38Å; L48-H152 HydrophobicContact CD2-CB 3.62Å; H152-G154 PolarHBondContact O-N 3.27Å; H152-T155 WeakPolarHBondContact O-CB 3.24Å; H152-T155 PolarHBondContact O-N 2.78Å; H152-T155 VanDerWaalsContact O-N 3.14Å; H152-F156 PolarHBondContact O-N 3.04Å
153I94.3Very high95.4Very high3 Ų346 Ų462%0.01523%0.233CC..Hα-helixtrans-57.6-46.2175.6-63.7170.5000111.1I54 L144 F148 L151 T155 F156 L157I54-I153 HydrophobicContact CD1-CD1 4.42Å; I54-I153 HydrophobicContact CG1-CD1 4.33Å; L144-I153 HydrophobicContact CD1-CB 4.12Å; L144-I153 HydrophobicContact CD1-CG2 4.11Å; L144-I153 HydrophobicContact CD2-CG2 3.7Å; F148-I153 HydrophobicContact CB-CD1 3.97Å; F148-I153 HydrophobicContact CD1-CD1 4.38Å; L151-I153 HydrophobicContact CB-CD1 4.3Å; L151-I153 HydrophobicContact CB-CG1 4.35Å; L151-I153 PolarHBondContact O-N 3.01Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.3Å; I153-F156 WeakPolarHBondContact O-CB 3.3Å; I153-F156 PolarHBondContact O-N 2.98Å; I153-F156 VanDerWaalsContact O-N 3.16Å; I153-L157 HydrophobicContact CG2-CD1 3.94Å; I153-L157 HydrophobicContact CG2-CG 4.34Å; I153-L157 VanDerWaalsContact O-CG 3.31Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 2.86Å
154G97Very high95.3Very high10 Ų1045.5 Ų45.510%0.10323%0.231CC..Hα-helixtrans-60.4-40177.200000112.6H152 L157 M158 F187H152-G154 PolarHBondContact O-N 3.27Å; G154-L157 PolarHBondContact O-N 2.88Å; G154-M158 WeakPolarHBondContact O-CG 3.42Å; G154-M158 PolarHBondContact O-N 2.72Å; G154-F187 VanDerWaalsContact C-CZ 3.49Å
155T96.9Very high95.3Very high33 Ų3344.7 Ų44.720%0.20223%0.226CC..Hα-helixtrans-62.6-44.6174.9-62.50000111.3H152 I153 M158 N159 L191H152-T155 WeakPolarHBondContact O-CB 3.24Å; H152-T155 PolarHBondContact O-N 2.78Å; H152-T155 VanDerWaalsContact O-N 3.14Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.3Å; T155-M158 PolarHBondContact O-N 2.87Å; T155-N159 WeakPolarHBondContact O-CB 3.49Å; T155-N159 VanDerWaalsContact O-CG 3.3Å; T155-N159 PolarHBondContact O-N 2.9Å; T155-N159 PolarHBondContact O-ND2 2.95Å; T155-L191 HydrophobicContact CG2-CD2 3.69Å
156F95.8Very high95.2Very high23 Ų2347.8 Ų47.810%0.10125%0.245CC..Hα-helixtrans-58.3-48175.1168.9-93000111.5I44 P45 L48 V56 H152 I153 M158 N159 L160I44-F156 HydrophobicContact CD1-CD1 3.7Å; I44-F156 HydrophobicContact CD1-CE1 3.33Å; I44-F156 HydrophobicContact CD1-CE2 4.23Å; I44-F156 HydrophobicContact CD1-CG 4.32Å; I44-F156 HydrophobicContact CD1-CZ 3.62Å; P45-F156 HydrophobicContact CG-CD2 4.15Å; P45-F156 HydrophobicContact CG-CE2 4.35Å; L48-F156 HydrophobicContact CD1-CB 3.75Å; L48-F156 HydrophobicContact CD1-CD2 4.3Å; L48-F156 HydrophobicContact CD1-CG 4.03Å; V56-F156 HydrophobicContact CG2-CE1 4.05Å; H152-F156 PolarHBondContact O-N 3.04Å; I153-F156 WeakPolarHBondContact O-CB 3.3Å; I153-F156 PolarHBondContact O-N 2.98Å; I153-F156 VanDerWaalsContact O-N 3.16Å; F156-M158 PolarHBondContact O-N 2.86Å; F156-N159 PolarHBondContact O-N 3.44Å; F156-L160 HydrophobicContact CE1-CD2 4.36Å; F156-L160 WeakPolarHBondContact O-CB 3.44Å; F156-L160 PolarHBondContact O-N 2.74Å
157L97.4Very high95.2Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-61.6-41.4-179.9-67.6169.9000112.4I108 V124 I142 L144 I153 G154 L160 L161I108-L157 HydrophobicContact CG2-CD2 3.62Å; V124-L157 HydrophobicContact CG2-CB 3.77Å; V124-L157 HydrophobicContact CG2-CD1 4.07Å; V124-L157 HydrophobicContact CG2-CD2 4.39Å; V124-L157 HydrophobicContact CG2-CG 4.29Å; I142-L157 HydrophobicContact CD1-CB 4.31Å; L144-L157 HydrophobicContact CD2-CD1 4.03Å; I153-L157 HydrophobicContact CG2-CD1 3.94Å; I153-L157 HydrophobicContact CG2-CG 4.34Å; I153-L157 VanDerWaalsContact O-CG 3.31Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 2.86Å; G154-L157 PolarHBondContact O-N 2.88Å; L157-L160 WeakPolarHBondContact O-CB 3.3Å; L157-L160 PolarHBondContact O-N 3.21Å; L157-L161 PolarHBondContact O-N 3.15Å; L157-L161 VanDerWaalsContact O-N 3.09Å
158M98.1Very high95.4Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-68.8-37.1175.4-69.1-54.1-60.200112.8I142 G154 T155 F156 L160 L161 L162 V173 L175 F187 F188 L191 F193I142-M158 HydrophobicContact CD1-CG 3.76Å; I142-M158 HydrophobicContact CD1-SD 3.65Å; G154-M158 WeakPolarHBondContact O-CG 3.42Å; G154-M158 PolarHBondContact O-N 2.72Å; T155-M158 PolarHBondContact O-N 2.87Å; F156-M158 PolarHBondContact O-N 2.86Å; M158-L160 VanDerWaalsContact C-N 3.29Å; M158-L161 HydrophobicContact CE-CD1 4.27Å; M158-L161 WeakPolarHBondContact O-CB 3.03Å; M158-L161 PolarHBondContact O-N 2.62Å; M158-L161 HydrophobicContact SD-CD1 4.15Å; M158-L162 WeakPolarHBondContact O-CG 3.43Å; M158-L162 PolarHBondContact O-N 3.23Å; M158-V173 HydrophobicContact CE-CG1 4.28Å; M158-L175 HydrophobicContact CE-CD2 4.02Å; M158-F187 HydrophobicContact CG-CE1 3.91Å; M158-F187 HydrophobicContact CG-CZ 3.88Å; M158-F188 HydrophobicContact CE-CD1 4.5Å; M158-F188 HydrophobicContact CE-CE1 4.16Å; M158-F188 HydrophobicContact CG-CE1 4.48Å; M158-F188 HydrophobicContact SD-CE1 4.1Å; M158-L191 HydrophobicContact CB-CD1 3.67Å; M158-L191 HydrophobicContact CG-CD1 3.73Å; M158-F193 HydrophobicContact CE-CE1 4.12Å; M158-F193 HydrophobicContact CE-CE2 3.77Å; M158-F193 HydrophobicContact CE-CZ 3.34Å
159N95.9Very high95.5Very high70 Ų7046 Ų4637%0.37424%0.242SC..Hα-helixtrans-65.9-35.4174-73.8-20.4000111.5T155 F156 L162 S163T155-N159 WeakPolarHBondContact O-CB 3.49Å; T155-N159 VanDerWaalsContact O-CG 3.3Å; T155-N159 PolarHBondContact O-N 2.9Å; T155-N159 PolarHBondContact O-ND2 2.95Å; F156-N159 PolarHBondContact O-N 3.44Å; N159-L162 WeakPolarHBondContact O-CB 3.41Å; N159-L162 PolarHBondContact O-N 2.95Å; N159-S163 PolarHBondContact O-N 3.19Å; N159-S163 PolarHBondContact O-OG 2.83Å
160L95.7Very high95.7Very high10 Ų1041.6 Ų41.65%0.05223%0.225CC..Hα-helixtrans-63-41.617317959.1000111.4I40 L42 V56 I108 F156 L157 M158 L162 S163 I164I40-L160 HydrophobicContact CG2-CD1 3.49Å; I40-L160 VanDerWaalsContact CG2-CD1 3.49Å; L42-L160 HydrophobicContact CD2-CD1 3.73Å; L42-L160 HydrophobicContact CD2-CD2 3.49Å; L42-L160 VanDerWaalsContact CD2-CD2 3.49Å; L42-L160 HydrophobicContact CD2-CG 4.22Å; V56-L160 HydrophobicContact CG1-CD2 4.38Å; I108-L160 HydrophobicContact CD1-CD2 3.71Å; I108-L160 HydrophobicContact CD1-CG 4.05Å; I108-L160 HydrophobicContact CG1-CD2 4.24Å; I108-L160 HydrophobicContact CG2-CD2 4Å; F156-L160 HydrophobicContact CE1-CD2 4.36Å; F156-L160 WeakPolarHBondContact O-CB 3.44Å; F156-L160 PolarHBondContact O-N 2.74Å; L157-L160 WeakPolarHBondContact O-CB 3.3Å; L157-L160 PolarHBondContact O-N 3.21Å; M158-L160 VanDerWaalsContact C-N 3.29Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.16Å; L160-S163 PolarHBondContact O-N 3.34Å; L160-I164 HydrophobicContact CD1-CD1 4.28Å; L160-I164 HydrophobicContact CD1-CG1 4.43Å; L160-I164 HydrophobicContact CG-CD1 4.1Å; L160-I164 VanDerWaalsContact O-CG1 3.32Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.34Å
161L97.9Very high95.9Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-60.8-42.1172-66.1-168.3000112.4I108 V124 F126 L137 C139 L157 M158 S163 I164 S165 V173I108-L161 HydrophobicContact CD1-CD2 3.73Å; V124-L161 HydrophobicContact CG1-CD1 3.8Å; V124-L161 HydrophobicContact CG1-CD2 3.98Å; V124-L161 HydrophobicContact CG1-CG 4.17Å; F126-L161 HydrophobicContact CB-CD2 4.32Å; F126-L161 HydrophobicContact CD1-CD2 3.56Å; F126-L161 HydrophobicContact CD2-CD2 4.39Å; F126-L161 HydrophobicContact CE1-CD2 3.88Å; F126-L161 HydrophobicContact CG-CD2 3.83Å; F126-L161 HydrophobicContact CZ-CD2 4.4Å; L137-L161 HydrophobicContact CD1-CB 4.35Å; L137-L161 HydrophobicContact CD1-CD2 4.29Å; L137-L161 HydrophobicContact CD2-CB 4.17Å; L137-L161 HydrophobicContact CD2-CD1 3.87Å; L137-L161 HydrophobicContact CD2-CD2 4.07Å; L137-L161 HydrophobicContact CD2-CG 4.27Å; C139-L161 HydrophobicContact CB-CD1 3.72Å; L157-L161 PolarHBondContact O-N 3.15Å; L157-L161 VanDerWaalsContact O-N 3.09Å; M158-L161 HydrophobicContact CE-CD1 4.27Å; M158-L161 WeakPolarHBondContact O-CB 3.03Å; M158-L161 PolarHBondContact O-N 2.62Å; M158-L161 HydrophobicContact SD-CD1 4.15Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.02Å; L161-I164 PolarHBondContact O-N 2.63Å; L161-S165 WeakPolarHBondContact O-CB 3.49Å; L161-S165 PolarHBondContact O-N 3.24Å; L161-V173 HydrophobicContact CB-CG1 4.45Å; L161-V173 HydrophobicContact CB-CG2 4.47Å; L161-V173 HydrophobicContact CD1-CG1 4.4Å
162L96.8Very high96.2Very high24 Ų2431.3 Ų31.313%0.12618%0.175CC..Hα-helixtrans-61.8-41.1175.8-70.7165.2000111.6M158 N159 L160 S165 L166 V173 K216M158-L162 WeakPolarHBondContact O-CG 3.43Å; M158-L162 PolarHBondContact O-N 3.23Å; N159-L162 WeakPolarHBondContact O-CB 3.41Å; N159-L162 PolarHBondContact O-N 2.95Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.16Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.02Å; L162-L166 WeakPolarHBondContact O-CB 3.11Å; L162-L166 PolarHBondContact O-N 2.98Å; L162-V173 HydrophobicContact CD2-CB 4.17Å; L162-V173 HydrophobicContact CD2-CG2 3.71Å; L162-V173 HydrophobicContact CG-CG2 4.25Å; L162-K216 HydrophobicContact CD1-CD 4.03Å; L162-K216 HydrophobicContact CD2-CB 4.44Å; L162-K216 HydrophobicContact CD2-CD 4.1Å; L162-K216 HydrophobicContact CD2-CG 4.26Å
163S94.6Very high96.4Very high62 Ų6225.7 Ų25.743%0.43415%0.149SC..Hα-helixtrans-64.2-43.6175.5-63.60000112.5N159 L160 L161 L166 A167N159-S163 PolarHBondContact O-N 3.19Å; N159-S163 PolarHBondContact O-OG 2.83Å; L160-S163 PolarHBondContact O-N 3.34Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.02Å; S163-L166 PolarHBondContact O-N 2.9Å; S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.28Å
164I96.1Very high96.6Very high4 Ų425.6 Ų25.62%0.02115%0.148CC..Hα-helixtrans-62.7-46.5175.2-67.7165000110.3L34 L38 I40 I108 F126 F128 L137 L160 L161 L166 A167 L168L34-I164 HydrophobicContact CD2-CG2 4.32Å; L38-I164 HydrophobicContact CD1-CG2 4.23Å; I40-I164 HydrophobicContact CD1-CB 4.16Å; I40-I164 HydrophobicContact CD1-CG1 3.56Å; I108-I164 HydrophobicContact CD1-CD1 4.06Å; F126-I164 HydrophobicContact CE2-CG2 4.39Å; F126-I164 HydrophobicContact CZ-CD1 4.07Å; F128-I164 HydrophobicContact CE1-CG2 4.06Å; F128-I164 HydrophobicContact CZ-CG2 3.82Å; L137-I164 HydrophobicContact CD1-CB 4.16Å; L137-I164 HydrophobicContact CD1-CG2 3.89Å; L160-I164 HydrophobicContact CD1-CD1 4.28Å; L160-I164 HydrophobicContact CD1-CG1 4.43Å; L160-I164 HydrophobicContact CG-CD1 4.1Å; L160-I164 VanDerWaalsContact O-CG1 3.32Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.34Å; L161-I164 PolarHBondContact O-N 2.63Å; I164-L166 VanDerWaalsContact C-N 3.27Å; I164-L166 PolarHBondContact O-N 2.77Å; I164-A167 PolarHBondContact O-N 2.88Å; I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.01Å; I164-L168 VanDerWaalsContact O-N 3.13Å
165S96.7Very high96.7Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-55.4-45176.4-170.20000110.8L161 L162 L168 N169 M170 T218L161-S165 WeakPolarHBondContact O-CB 3.49Å; L161-S165 PolarHBondContact O-N 3.24Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.02Å; S165-L168 PolarHBondContact O-N 2.98Å; S165-N169 PolarHBondContact O-N 2.79Å; S165-M170 PolarHBondContact O-N 2.77Å; S165-M170 VanDerWaalsContact OG-CB 3.27Å; S165-M170 WeakPolarHBondContact OG-CB 3.45Å; S165-T218 VanDerWaalsContact C-CG2 3.44Å; S165-T218 PolarHBondContact OG-OG1 3.09Å
166L95.2Very high96.8Very high97 Ų9726 Ų2651%0.50815%0.149SC..Hα-helixtrans-67.3-48.2-179-177.563.7000111.9L162 S163 I164 L168 N169 T218L162-L166 WeakPolarHBondContact O-CB 3.11Å; L162-L166 PolarHBondContact O-N 2.98Å; S163-L166 PolarHBondContact O-N 2.9Å; I164-L166 VanDerWaalsContact C-N 3.27Å; I164-L166 PolarHBondContact O-N 2.77Å; L166-L168 PolarHBondContact O-N 3.11Å; L166-L168 VanDerWaalsContact O-N 3.16Å; L166-N169 PolarHBondContact O-N 2.74Å; L166-N169 VanDerWaalsContact O-N 3.14Å; L166-T218 HydrophobicContact CB-CG2 3.48Å; L166-T218 VanDerWaalsContact CB-CG2 3.48Å; L166-T218 HydrophobicContact CD1-CG2 3.93Å; L166-T218 HydrophobicContact CG-CG2 4.31Å
167A94.4Very high96.9Very high45 Ų4525.3 Ų25.337%0.37215%0.146SC..Hα-helixtrans-60-26.8178.900000112.7L38 I40 S163 I164L38-A167 HydrophobicContact CB-CB 4.16Å; L38-A167 HydrophobicContact CD1-CB 4.22Å; L38-A167 HydrophobicContact CD2-CB 4.13Å; L38-A167 HydrophobicContact CG-CB 4.4Å; I40-A167 HydrophobicContact CD1-CB 4.07Å; S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.28Å; I164-A167 PolarHBondContact O-N 2.88Å
168L95.5Very high97Very high19 Ų1925.6 Ų25.610%0.09915%0.148CC..THydrogen-bonded Turntrans-99.84.7-178.7-68176.2000114.7A28 I31 L34 L38 F128 I164 S165 L166 M170A28-L168 HydrophobicContact CB-CD1 4.1Å; A28-L168 HydrophobicContact CB-CD2 4.45Å; I31-L168 HydrophobicContact CD1-CD1 4.3Å; I31-L168 HydrophobicContact CD1-CD2 3.35Å; I31-L168 HydrophobicContact CD1-CG 4.45Å; L34-L168 HydrophobicContact CD2-CD1 3.93Å; L38-L168 HydrophobicContact CD1-CD1 3.91Å; L38-L168 HydrophobicContact CD1-CD2 4.04Å; L38-L168 HydrophobicContact CD1-CG 3.77Å; L38-L168 HydrophobicContact CD2-CD2 3.42Å; L38-L168 VanDerWaalsContact CD2-CD2 3.42Å; L38-L168 HydrophobicContact CD2-CG 3.95Å; L38-L168 HydrophobicContact CG-CD2 4.32Å; F128-L168 HydrophobicContact CD1-CD1 4.23Å; F128-L168 HydrophobicContact CE1-CD1 3.33Å; F128-L168 HydrophobicContact CE2-CD1 3.93Å; F128-L168 HydrophobicContact CZ-CD1 3.15Å; I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.01Å; I164-L168 VanDerWaalsContact O-N 3.13Å; S165-L168 PolarHBondContact O-N 2.98Å; L166-L168 PolarHBondContact O-N 3.11Å; L166-L168 VanDerWaalsContact O-N 3.16Å; L168-M170 HydrophobicContact CB-CE 4.23Å; L168-M170 HydrophobicContact CB-CG 4.09Å; L168-M170 WeakPolarHBondContact O-CE 3.23Å; L168-M170 PolarHBondContact O-N 2.84Å
169N95.4Very high97Very high110 Ų11028.7 Ų28.759%0.58816%0.161SC*.THydrogen-bonded Turntrans55.433-175.1-55.1-70.8000113.1L24 S165 L166L24-N169 HydrophobicContact CD2-CB 4.32Å; S165-N169 PolarHBondContact O-N 2.79Å; L166-N169 PolarHBondContact O-N 2.74Å; L166-N169 VanDerWaalsContact O-N 3.14Å
170M97.6Very high97.1Very high0 Ų028.2 Ų28.20%016%0.163CC..  trans-72.9132.9167.3-60.7-61.799.600107.9L24 V25 A28 F128 P135 L137 S165 L168 R172 T218L24-M170 HydrophobicContact CB-CE 3.97Å; V25-M170 HydrophobicContact CG2-SD 4.35Å; A28-M170 HydrophobicContact CB-CE 4.31Å; F128-M170 HydrophobicContact CB-SD 4.43Å; F128-M170 HydrophobicContact CD1-CG 3.89Å; F128-M170 HydrophobicContact CD1-SD 3.86Å; F128-M170 HydrophobicContact CE1-CG 4.21Å; P135-M170 HydrophobicContact CB-CE 3.91Å; P135-M170 HydrophobicContact CB-SD 3.92Å; P135-M170 CarbonylContact O-C 3.5Å; L137-M170 HydrophobicContact CB-CG 4.48Å; S165-M170 PolarHBondContact O-N 2.77Å; S165-M170 VanDerWaalsContact OG-CB 3.27Å; S165-M170 WeakPolarHBondContact OG-CB 3.45Å; L168-M170 HydrophobicContact CB-CE 4.23Å; L168-M170 HydrophobicContact CB-CG 4.09Å; L168-M170 WeakPolarHBondContact O-CE 3.23Å; L168-M170 PolarHBondContact O-N 2.84Å; M170-R172 PolarHBondContact O-N 3.27Å; M170-T218 WeakPolarHBondContact O-CB 3.27Å; M170-T218 PolarHBondContact O-OG1 3.48Å
171H97.1Very high97.2Very high19 Ų1929.3 Ų29.39%0.08817%0.169CC..SBendtrans-64.7-40.7-173178.157.9000112.7H134 P135 T218 F219H134-H171 HydrophobicContact CB-CB 4.22Å; H134-H171 AromaticContact CE1-CD2 3.79Å; H134-H171 AromaticContact CE1-NE2 3.56Å; H134-H171 AromaticContact CG-CD2 3.55Å; H134-H171 AromaticContact ND1-CD2 3.02Å; H134-H171 PolarHBondContact ND1-CD2 3.12Å; H134-H171 AromaticContact ND1-CE1 3.93Å; H134-H171 AromaticContact ND1-CG 3.56Å; H134-H171 AromaticContact ND1-NE2 3.27Å; H134-H171 PolarHBondContact ND1-NE2 2.85Å; P135-H171 HydrophobicContact CG-CB 4.45Å; P135-H171 WeakPolarHBondContact O-CB 3.5Å; P135-H171 PolarHBondContact O-N 2.68Å; H171-T218 WeakPolarHBondContact O-CB 3.43Å; H171-T218 PolarHBondContact O-N 3.02Å; H171-T218 PolarHBondContact O-OG1 3.23Å; H171-F219 AromaticContact ND1-CE1 3.96Å; H171-F219 AromaticContact ND1-CE2 3.78Å; H171-F219 AromaticContact ND1-CZ 3.19Å; H171-F219 WeakPolarHBondContact ND1-CZ 3.32Å
172R97.9Very high97.2Very high11 Ų1135.6 Ų35.64%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-151.1157.9-178.855.2-174.9128.3-168.4-15.5111.6H134 V136 L137 M170 M174 D196 E197 K216 L217 T218H134-R172 PolarHBondContact CD2-NH2 3.02Å; H134-R172 VanDerWaalsContact CG-NH2 3.29Å; H134-R172 PolarHBondContact NE2-NH2 3.18Å; V136-R172 WeakPolarHBondContact CA-O 3.3Å; V136-R172 HydrophobicContact CB-CG 4.38Å; V136-R172 HydrophobicContact CG1-CG 3.6Å; L137-R172 PolarHBondContact N-O 3.37Å; M170-R172 PolarHBondContact O-N 3.27Å; R172-M174 HydrophobicContact CG-CG 3.82Å; R172-M174 HydrophobicContact CG-SD 4.17Å; R172-D196 IonicContact CZ-OD1 2.69Å; R172-D196 IonicContact NE-OD1 2.62Å; R172-D196 IonicContact NH1-OD1 2.95Å; R172-D196 PolarHBondContact NH1-OD1 2.9Å; R172-D196 IonicContact NH1-OD2 3.3Å; R172-E197 IonicContact CZ-OE1 3.77Å; R172-E197 VanDerWaalsContact CZ-OE1 3.3Å; R172-E197 IonicContact NH1-OE1 2.81Å; R172-E197 PolarHBondContact NH1-OE1 3.22Å; R172-E197 IonicContact NH2-OE1 3.75Å; R172-E197 PolarHBondContact NH2-OE1 2.86Å; R172-K216 WeakPolarHBondContact CA-O 3.45Å; R172-K216 WeakPolarHBondContact CB-O 3.44Å; R172-L217 HydrophobicContact CB-CD2 4.29Å; R172-T218 WeakPolarHBondContact CA-OG1 3.42Å; R172-T218 PolarHBondContact N-OG1 3.48Å
173V98.7Very high97.3Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-92131.3162.3177.80000108L137 M158 L161 L162 F193 S215 K216L137-V173 HydrophobicContact CB-CG2 4.31Å; L137-V173 HydrophobicContact CD2-CG1 4.16Å; L137-V173 CarbonylContact O-C 3.58Å; L137-V173 VanDerWaalsContact O-CA 3.28Å; L137-V173 WeakPolarHBondContact O-CA 3.49Å; M158-V173 HydrophobicContact CE-CG1 4.28Å; L161-V173 HydrophobicContact CB-CG1 4.45Å; L161-V173 HydrophobicContact CB-CG2 4.47Å; L161-V173 HydrophobicContact CD1-CG1 4.4Å; L162-V173 HydrophobicContact CD2-CB 4.17Å; L162-V173 HydrophobicContact CD2-CG2 3.71Å; L162-V173 HydrophobicContact CG-CG2 4.25Å; V173-F193 HydrophobicContact CB-CE1 4.15Å; V173-F193 HydrophobicContact CB-CZ 4.21Å; V173-F193 HydrophobicContact CG1-CE1 3.95Å; V173-F193 HydrophobicContact CG1-CZ 3.96Å; V173-S215 CarbonylContact O-C 3.5Å; V173-S215 WeakPolarHBondContact O-CA 3.37Å; V173-S215 WeakPolarHBondContact O-CB 3.41Å; V173-K216 PolarHBondContact N-O 3.27Å; V173-K216 PolarHBondContact O-N 3.31Å
174M98.7Very high97.5Very high0 Ų036.2 Ų36.20%020%0.204CC..EExtended strand (participates in β ladder)trans-123154.9-178.6-60.8-171.568.600111.8E131 V136 L137 Y138 C139 R172 D196 I213 L214E131-M174 HydrophobicContact CB-SD 3.95Å; E131-M174 HydrophobicContact CG-CE 4.05Å; E131-M174 HydrophobicContact CG-SD 3.95Å; V136-M174 HydrophobicContact CB-CG 4.23Å; V136-M174 HydrophobicContact CB-SD 4.06Å; V136-M174 HydrophobicContact CG1-CG 4.3Å; V136-M174 HydrophobicContact CG1-SD 3.75Å; V136-M174 HydrophobicContact CG2-SD 4.03Å; L137-M174 PolarHBondContact O-N 3.43Å; Y138-M174 HydrophobicContact CD2-CB 3.83Å; Y138-M174 HydrophobicContact CE2-CB 3.95Å; Y138-M174 HydrophobicContact CG-CB 4.36Å; C139-M174 PolarHBondContact N-O 3.47Å; R172-M174 HydrophobicContact CG-CG 3.82Å; R172-M174 HydrophobicContact CG-SD 4.17Å; M174-D196 HydrophobicContact CE-CB 4.14Å; M174-D196 VanDerWaalsContact CE-CG 3.46Å; M174-D196 WeakPolarHBondContact CE-OD2 2.79Å; M174-I213 HydrophobicContact CE-CG2 3.69Å; M174-L214 WeakPolarHBondContact CA-O 3.4Å
175L98.8Very high97.6Very high4 Ų436.5 Ų36.52%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-157.6160.4171.56194.3000111.2C139 M158 V177 F188 F193 I213 L214C139-L175 HydrophobicContact CB-CB 4.15Å; M158-L175 HydrophobicContact CE-CD2 4.02Å; L175-V177 HydrophobicContact CD1-CB 4.04Å; L175-V177 HydrophobicContact CD1-CG1 4.27Å; L175-F188 HydrophobicContact CD1-CD2 3.73Å; L175-F188 HydrophobicContact CD1-CE1 4.38Å; L175-F188 HydrophobicContact CD1-CE2 3.57Å; L175-F188 HydrophobicContact CD1-CG 4.21Å; L175-F188 HydrophobicContact CD1-CZ 3.92Å; L175-F188 HydrophobicContact CD2-CD1 3.54Å; L175-F188 HydrophobicContact CD2-CD2 4.25Å; L175-F188 HydrophobicContact CD2-CE1 3.32Å; L175-F188 HydrophobicContact CD2-CE2 4.07Å; L175-F188 HydrophobicContact CD2-CG 4.02Å; L175-F188 HydrophobicContact CD2-CZ 3.62Å; L175-F188 HydrophobicContact CG-CE1 4.49Å; L175-F188 HydrophobicContact CG-CE2 4.49Å; L175-F188 HydrophobicContact CG-CZ 4.4Å; L175-F193 HydrophobicContact CD2-CD1 4.11Å; L175-F193 HydrophobicContact CD2-CE1 3.99Å; L175-I213 WeakPolarHBondContact O-CA 3.11Å; L175-L214 HydrophobicContact CD1-CB 4.11Å; L175-L214 HydrophobicContact CD1-CD1 4.21Å; L175-L214 HydrophobicContact CD1-CG 4.33Å; L175-L214 HydrophobicContact CG-CB 4.29Å; L175-L214 PolarHBondContact N-O 3.39Å; L175-L214 PolarHBondContact O-N 2.96Å
176T98.6Very high97.7Very high48 Ų4842.9 Ų42.929%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-110.8136168.5-65.20000110.5W89 Y138 Y211 R212W89-T176 HydrophobicContact CH2-CG2 3.69Å; Y138-T176 PolarHBondContact OH-OG1 2.78Å; T176-Y211 HydrophobicContact CG2-CD2 3.55Å; T176-Y211 HydrophobicContact CG2-CE2 4.42Å; T176-Y211 HydrophobicContact CG2-CG 3.89Å; T176-R212 WeakPolarHBondContact CA-O 3.31Å
177V98.7Very high97.8Very high9 Ų940.9 Ų40.96%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-134136.8179.764.70000111L175 N181 A184 F188 Y211 R212 L214L175-V177 HydrophobicContact CD1-CB 4.04Å; L175-V177 HydrophobicContact CD1-CG1 4.27Å; V177-N181 HydrophobicContact CG2-CB 4.33Å; V177-A184 HydrophobicContact CG2-CB 3.74Å; V177-F188 HydrophobicContact CB-CD2 4.48Å; V177-F188 HydrophobicContact CB-CE2 4.33Å; V177-F188 HydrophobicContact CG2-CD2 4.43Å; V177-F188 HydrophobicContact CG2-CE2 4.23Å; V177-Y211 CarbonylContact O-C 3.49Å; V177-Y211 VanDerWaalsContact O-CA 3.31Å; V177-Y211 WeakPolarHBondContact O-CA 3.48Å; V177-R212 HydrophobicContact CG1-CB 4.25Å; V177-R212 PolarHBondContact N-O 2.87Å; V177-R212 PolarHBondContact O-N 3.27Å; V177-L214 HydrophobicContact CG1-CD1 3.75Å; V177-L214 HydrophobicContact CG1-CG 4.04Å
178F98.6Very high98Very high6 Ų639.1 Ų39.13%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-64137.3172.8-68.2-57.6000111.6M80 L83 Y84 W89 S180 N181 N185M80-F178 HydrophobicContact CE-CD2 3.94Å; M80-F178 HydrophobicContact CE-CE2 3.99Å; L83-F178 HydrophobicContact CB-CD2 3.9Å; L83-F178 HydrophobicContact CB-CE2 4.23Å; Y84-F178 HydrophobicContact CD1-CE2 4.06Å; Y84-F178 AromaticContact CD1-CZ 3.68Å; Y84-F178 HydrophobicContact CD1-CZ 3.68Å; Y84-F178 AromaticContact CD2-CE2 3.77Å; Y84-F178 HydrophobicContact CD2-CE2 3.77Å; Y84-F178 HydrophobicContact CD2-CZ 4.24Å; Y84-F178 HydrophobicContact CE1-CE2 4.11Å; Y84-F178 AromaticContact CE1-CZ 3.71Å; Y84-F178 HydrophobicContact CE1-CZ 3.71Å; Y84-F178 AromaticContact CE2-CE2 3.77Å; Y84-F178 HydrophobicContact CE2-CE2 3.77Å; Y84-F178 HydrophobicContact CE2-CZ 4.23Å; Y84-F178 AromaticContact CG-CE2 3.9Å; Y84-F178 HydrophobicContact CG-CE2 3.9Å; Y84-F178 AromaticContact CG-CZ 3.96Å; Y84-F178 HydrophobicContact CG-CZ 3.96Å; Y84-F178 AromaticContact CZ-CE2 3.92Å; Y84-F178 AromaticContact CZ-CZ 3.95Å; W89-F178 AromaticContact CD2-CE1 3.86Å; W89-F178 HydrophobicContact CD2-CE1 3.86Å; W89-F178 HydrophobicContact CD2-CZ 4.15Å; W89-F178 AromaticContact CE3-CE1 3.4Å; W89-F178 HydrophobicContact CE3-CE1 3.4Å; W89-F178 VanDerWaalsContact CE3-CE1 3.4Å; W89-F178 AromaticContact CE3-CZ 3.37Å; W89-F178 HydrophobicContact CE3-CZ 3.37Å; W89-F178 HydrophobicContact CG-CE1 4.48Å; W89-F178 HydrophobicContact CH2-CE1 4.47Å; W89-F178 AromaticContact CZ3-CE1 3.75Å; W89-F178 HydrophobicContact CZ3-CE1 3.75Å; W89-F178 AromaticContact CZ3-CZ 3.82Å; W89-F178 HydrophobicContact CZ3-CZ 3.82Å; F178-S180 PolarHBondContact O-N 3.35Å; F178-N181 HydrophobicContact CB-CB 4.28Å; F178-N181 WeakPolarHBondContact O-CB 3.17Å; F178-N181 PolarHBondContact O-N 3.46Å; F178-N185 PolarHBondContact O-ND2 3.46Å
179K98.4Very high98.2Very high65 Ų6542.6 Ų42.628%0.28322%0.22SC..THydrogen-bonded Turntrans-61.2-28174.5-71175.1175.7165.90112.1N181 K182 V209 D210 Y211 R212K179-N181 VanDerWaalsContact C-N 3.35Å; K179-K182 WeakPolarHBondContact O-CD 3.3Å; K179-K182 VanDerWaalsContact O-CE 3.25Å; K179-K182 WeakPolarHBondContact O-CE 3.27Å; K179-K182 PolarHBondContact O-NZ 3.05Å; K179-V209 WeakPolarHBondContact CE-O 3.3Å; K179-V209 PolarHBondContact NZ-O 3.01Å; K179-D210 VanDerWaalsContact CB-O 3.29Å; K179-D210 WeakPolarHBondContact CB-O 3.36Å; K179-D210 WeakPolarHBondContact CG-O 3.19Å; K179-D210 PolarHBondContact N-O 3.35Å; K179-Y211 WeakPolarHBondContact CE-O 3.39Å; K179-R212 HydrophobicContact CD-CG 4.45Å; K179-R212 HydrophobicContact CG-CG 3.82Å
180S98Very high98.3Very high60 Ų6046.2 Ų46.242%0.4223%0.231SC..THydrogen-bonded Turntrans-72.9-24.6175.155.70000112.8F178 K182F178-S180 PolarHBondContact O-N 3.35Å; S180-K182 VanDerWaalsContact C-N 3.27Å; S180-K182 PolarHBondContact O-N 3.49Å
181N98.3Very high98.3Very high32 Ų3247.4 Ų47.417%0.17124%0.237CC..  trans-79.172.6178-168-15.3000111.3L83 V177 F178 K179 S183 A184 N185L83-N181 HydrophobicContact CD1-CB 3.89Å; L83-N181 WeakPolarHBondContact CD1-ND2 3.48Å; L83-N181 HydrophobicContact CD2-CB 4.17Å; V177-N181 HydrophobicContact CG2-CB 4.33Å; F178-N181 HydrophobicContact CB-CB 4.28Å; F178-N181 WeakPolarHBondContact O-CB 3.17Å; F178-N181 PolarHBondContact O-N 3.46Å; K179-N181 VanDerWaalsContact C-N 3.35Å; N181-S183 PolarHBondContact O-N 3.47Å; N181-A184 HydrophobicContact CB-CB 4.27Å; N181-A184 VanDerWaalsContact CG-CB 3.43Å; N181-A184 WeakPolarHBondContact ND2-CB 3.41Å; N181-A184 PolarHBondContact O-N 2.77Å; N181-A184 WeakPolarHBondContact OD1-CB 3.36Å; N181-A184 PolarHBondContact OD1-N 2.85Å; N181-A184 VanDerWaalsContact OD1-N 3.13Å; N181-N185 PolarHBondContact O-N 2.62Å; N181-N185 PolarHBondContact O-ND2 3.28Å
182K98.2Very high98.4Very high132 Ų13248.3 Ų48.357%0.57425%0.251SS*.Hα-helixtrans-61.4-31.4-175.7-58.7-52.9-176.6-170.40113.4K179 S180 K186K179-K182 WeakPolarHBondContact O-CD 3.3Å; K179-K182 VanDerWaalsContact O-CE 3.25Å; K179-K182 WeakPolarHBondContact O-CE 3.27Å; K179-K182 PolarHBondContact O-NZ 3.05Å; S180-K182 VanDerWaalsContact C-N 3.27Å; S180-K182 PolarHBondContact O-N 3.49Å; K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 VanDerWaalsContact O-CG 3.3Å; K182-K186 WeakPolarHBondContact O-CG 3.17Å; K182-K186 PolarHBondContact O-N 2.88Å; K182-K186 VanDerWaalsContact O-N 3.14Å
183S97.5Very high98.4Very high81 Ų8148 Ų4857%0.56625%0.25SC*.Hα-helixtrans-65.3-50.9177.4-171.10000110.9N181 K186 F187N181-S183 PolarHBondContact O-N 3.47Å; S183-K186 PolarHBondContact O-N 3.45Å; S183-F187 WeakPolarHBondContact O-CB 3.49Å; S183-F187 PolarHBondContact O-N 2.87Å
184A98.3Very high98.4Very high18 Ų1854.9 Ų54.915%0.14928%0.282CS..Hα-helixtrans-64.5-42.4178.600000112.4V177 N181 K186 F187 F188V177-A184 HydrophobicContact CG2-CB 3.74Å; N181-A184 HydrophobicContact CB-CB 4.27Å; N181-A184 VanDerWaalsContact CG-CB 3.43Å; N181-A184 WeakPolarHBondContact ND2-CB 3.41Å; N181-A184 PolarHBondContact O-N 2.77Å; N181-A184 WeakPolarHBondContact OD1-CB 3.36Å; N181-A184 PolarHBondContact OD1-N 2.85Å; N181-A184 VanDerWaalsContact OD1-N 3.13Å; A184-K186 PolarHBondContact O-N 3.3Å; A184-F187 WeakPolarHBondContact O-CB 3.48Å; A184-F187 PolarHBondContact O-N 3.5Å; A184-F187 VanDerWaalsContact O-N 3.14Å; A184-F188 HydrophobicContact CB-CD2 4.37Å; A184-F188 HydrophobicContact CB-CE2 3.98Å; A184-F188 WeakPolarHBondContact O-CD2 3.43Å; A184-F188 WeakPolarHBondContact O-CG 3.41Å; A184-F188 PolarHBondContact O-N 3.38Å
185N98.6Very high98.4Very high10 Ų1057.3 Ų57.35%0.05330%0.297CS..Hα-helixtrans-56.2-51.2175.7-81.2-97.9000111.3F178 N181 F187 F188 E189 R212F178-N185 PolarHBondContact O-ND2 3.46Å; N181-N185 PolarHBondContact O-N 2.62Å; N181-N185 PolarHBondContact O-ND2 3.28Å; N185-F187 VanDerWaalsContact C-N 3.25Å; N185-F187 PolarHBondContact O-N 2.83Å; N185-F188 PolarHBondContact O-N 3.37Å; N185-E189 WeakPolarHBondContact O-CB 3.46Å; N185-E189 VanDerWaalsContact O-CG 3.28Å; N185-E189 WeakPolarHBondContact O-CG 3.31Å; N185-E189 PolarHBondContact O-N 2.95Å; N185-R212 PolarHBondContact OD1-NH1 3.38Å
186K98.4Very high98.3Very high134 Ų13457.2 Ų57.258%0.58330%0.297SS*.Hα-helixtrans-60.2-36.3177.5-73.4176.6-178.9-177.10112.4K182 S183 A184 K190K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 VanDerWaalsContact O-CG 3.3Å; K182-K186 WeakPolarHBondContact O-CG 3.17Å; K182-K186 PolarHBondContact O-N 2.88Å; K182-K186 VanDerWaalsContact O-N 3.14Å; S183-K186 PolarHBondContact O-N 3.45Å; A184-K186 PolarHBondContact O-N 3.3Å; K186-K190 WeakPolarHBondContact O-CB 3.29Å; K186-K190 VanDerWaalsContact O-CG 3.22Å; K186-K190 WeakPolarHBondContact O-CG 3.5Å; K186-K190 PolarHBondContact O-N 3.11Å; K186-K190 VanDerWaalsContact O-N 3.11Å
187F98.6Very high98.2Very high55 Ų5559.8 Ų59.824%0.24131%0.306CS..Hα-helixtrans-64.7-49.9177.3166.9-107.1000111.6I142 G154 M158 S183 A184 N185 K190 L191I142-F187 HydrophobicContact CD1-CE1 4.3Å; G154-F187 VanDerWaalsContact C-CZ 3.49Å; M158-F187 HydrophobicContact CG-CE1 3.91Å; M158-F187 HydrophobicContact CG-CZ 3.88Å; S183-F187 WeakPolarHBondContact O-CB 3.49Å; S183-F187 PolarHBondContact O-N 2.87Å; A184-F187 WeakPolarHBondContact O-CB 3.48Å; A184-F187 PolarHBondContact O-N 3.5Å; A184-F187 VanDerWaalsContact O-N 3.14Å; N185-F187 VanDerWaalsContact C-N 3.25Å; N185-F187 PolarHBondContact O-N 2.83Å; F187-K190 PolarHBondContact O-N 3.37Å; F187-L191 HydrophobicContact CD1-CD1 4.45Å; F187-L191 HydrophobicContact CD2-CD1 4.36Å; F187-L191 HydrophobicContact CE1-CD1 3.81Å; F187-L191 HydrophobicContact CE2-CD1 3.7Å; F187-L191 HydrophobicContact CE2-CG 4.29Å; F187-L191 HydrophobicContact CZ-CD1 3.39Å; F187-L191 HydrophobicContact CZ-CG 4.42Å; F187-L191 WeakPolarHBondContact O-CG 3.33Å; F187-L191 PolarHBondContact O-N 2.66Å
188F98.7Very high98Very high9 Ų960.7 Ų60.74%0.03931%0.311CS..Hα-helixtrans-67.4-41.1179.7-64.2-54.3000112.6I142 M158 L175 V177 A184 N185 K190 L191 G192 F193 L214I142-F188 HydrophobicContact CG2-CE1 4.24Å; I142-F188 HydrophobicContact CG2-CZ 3.78Å; M158-F188 HydrophobicContact CE-CD1 4.5Å; M158-F188 HydrophobicContact CE-CE1 4.16Å; M158-F188 HydrophobicContact CG-CE1 4.48Å; M158-F188 HydrophobicContact SD-CE1 4.1Å; L175-F188 HydrophobicContact CD1-CD2 3.73Å; L175-F188 HydrophobicContact CD1-CE1 4.38Å; L175-F188 HydrophobicContact CD1-CE2 3.57Å; L175-F188 HydrophobicContact CD1-CG 4.21Å; L175-F188 HydrophobicContact CD1-CZ 3.92Å; L175-F188 HydrophobicContact CD2-CD1 3.54Å; L175-F188 HydrophobicContact CD2-CD2 4.25Å; L175-F188 HydrophobicContact CD2-CE1 3.32Å; L175-F188 HydrophobicContact CD2-CE2 4.07Å; L175-F188 HydrophobicContact CD2-CG 4.02Å; L175-F188 HydrophobicContact CD2-CZ 3.62Å; L175-F188 HydrophobicContact CG-CE1 4.49Å; L175-F188 HydrophobicContact CG-CE2 4.49Å; L175-F188 HydrophobicContact CG-CZ 4.4Å; V177-F188 HydrophobicContact CB-CD2 4.48Å; V177-F188 HydrophobicContact CB-CE2 4.33Å; V177-F188 HydrophobicContact CG2-CD2 4.43Å; V177-F188 HydrophobicContact CG2-CE2 4.23Å; A184-F188 HydrophobicContact CB-CD2 4.37Å; A184-F188 HydrophobicContact CB-CE2 3.98Å; A184-F188 WeakPolarHBondContact O-CD2 3.43Å; A184-F188 WeakPolarHBondContact O-CG 3.41Å; A184-F188 PolarHBondContact O-N 3.38Å; N185-F188 PolarHBondContact O-N 3.37Å; F188-K190 VanDerWaalsContact C-N 3.33Å; F188-K190 PolarHBondContact O-N 2.92Å; F188-L191 CarbonylContact O-C 3.48Å; F188-L191 WeakPolarHBondContact O-CA 3.4Å; F188-L191 WeakPolarHBondContact O-CB 3.33Å; F188-L191 PolarHBondContact O-N 2.7Å; F188-G192 PolarHBondContact O-N 3.4Å; F188-F193 HydrophobicContact CB-CB 4.02Å; F188-F193 HydrophobicContact CB-CG 4.36Å; F188-F193 WeakPolarHBondContact O-CB 3.49Å; F188-F193 PolarHBondContact O-N 3.45Å; F188-L214 HydrophobicContact CB-CD1 3.76Å; F188-L214 HydrophobicContact CD2-CD1 4.21Å; F188-L214 HydrophobicContact CG-CD1 4.32Å
189E98.4Very high97.9Very high92 Ų9260.4 Ų60.443%0.4331%0.31SS..Hα-helixtrans-59.5-42.9175.3-73.1166.2-178.300111.4N185 L191 G192 R212N185-E189 WeakPolarHBondContact O-CB 3.46Å; N185-E189 VanDerWaalsContact O-CG 3.28Å; N185-E189 WeakPolarHBondContact O-CG 3.31Å; N185-E189 PolarHBondContact O-N 2.95Å; E189-L191 PolarHBondContact O-N 2.85Å; E189-G192 PolarHBondContact O-N 3.24Å; E189-R212 IonicContact OE1-CZ 3.61Å; E189-R212 IonicContact OE1-NH1 3.28Å; E189-R212 PolarHBondContact OE1-NH1 3.47Å; E189-R212 IonicContact OE1-NH2 3.92Å
190K98.2Very high97.8Very high186 Ų18658.3 Ų58.381%0.80930%0.303SS*.Hα-helixtrans-62.9-28.7174-78.8178.8178.2-1710113.6K186 F187 F188K186-K190 WeakPolarHBondContact O-CB 3.29Å; K186-K190 VanDerWaalsContact O-CG 3.22Å; K186-K190 WeakPolarHBondContact O-CG 3.5Å; K186-K190 PolarHBondContact O-N 3.11Å; K186-K190 VanDerWaalsContact O-N 3.11Å; F187-K190 PolarHBondContact O-N 3.37Å; F188-K190 VanDerWaalsContact C-N 3.33Å; F188-K190 PolarHBondContact O-N 2.92Å
191L97.9Very high97.7Very high24 Ų2459.3 Ų59.313%0.12631%0.31CS..THydrogen-bonded Turntrans-81.4-0.9174.2-68-180000112.9T155 M158 F187 F188 E189 F193 K216T155-L191 HydrophobicContact CG2-CD2 3.69Å; M158-L191 HydrophobicContact CB-CD1 3.67Å; M158-L191 HydrophobicContact CG-CD1 3.73Å; F187-L191 HydrophobicContact CD1-CD1 4.45Å; F187-L191 HydrophobicContact CD2-CD1 4.36Å; F187-L191 HydrophobicContact CE1-CD1 3.81Å; F187-L191 HydrophobicContact CE2-CD1 3.7Å; F187-L191 HydrophobicContact CE2-CG 4.29Å; F187-L191 HydrophobicContact CZ-CD1 3.39Å; F187-L191 HydrophobicContact CZ-CG 4.42Å; F187-L191 WeakPolarHBondContact O-CG 3.33Å; F187-L191 PolarHBondContact O-N 2.66Å; F188-L191 CarbonylContact O-C 3.48Å; F188-L191 WeakPolarHBondContact O-CA 3.4Å; F188-L191 WeakPolarHBondContact O-CB 3.33Å; F188-L191 PolarHBondContact O-N 2.7Å; E189-L191 PolarHBondContact O-N 2.85Å; L191-F193 HydrophobicContact CB-CD2 3.93Å; L191-F193 HydrophobicContact CB-CE2 4.21Å; L191-K216 WeakPolarHBondContact O-CD 3.5Å; L191-K216 WeakPolarHBondContact O-CE 3.11Å; L191-K216 PolarHBondContact O-NZ 3.38Å
192G98.1Very high97.5Very high38 Ų3863.2 Ų63.239%0.39233%0.328SS..THydrogen-bonded Turntrans78.427.2-179.300000113.6F188 E189F188-G192 PolarHBondContact O-N 3.4Å; E189-G192 PolarHBondContact O-N 3.24Å
193F98.6Very high97.3Very high4 Ų462.5 Ų62.52%0.01833%0.325CS..  trans-81138.4163.9-75.9-104.7000109.5M158 V173 L175 F188 L191 L214 S215 K216M158-F193 HydrophobicContact CE-CE1 4.12Å; M158-F193 HydrophobicContact CE-CE2 3.77Å; M158-F193 HydrophobicContact CE-CZ 3.34Å; V173-F193 HydrophobicContact CB-CE1 4.15Å; V173-F193 HydrophobicContact CB-CZ 4.21Å; V173-F193 HydrophobicContact CG1-CE1 3.95Å; V173-F193 HydrophobicContact CG1-CZ 3.96Å; L175-F193 HydrophobicContact CD2-CD1 4.11Å; L175-F193 HydrophobicContact CD2-CE1 3.99Å; F188-F193 HydrophobicContact CB-CB 4.02Å; F188-F193 HydrophobicContact CB-CG 4.36Å; F188-F193 WeakPolarHBondContact O-CB 3.49Å; F188-F193 PolarHBondContact O-N 3.45Å; L191-F193 HydrophobicContact CB-CD2 3.93Å; L191-F193 HydrophobicContact CB-CE2 4.21Å; F193-L214 HydrophobicContact CB-CB 4.22Å; F193-L214 HydrophobicContact CD1-CB 4.45Å; F193-S215 WeakPolarHBondContact CA-O 3.27Å; F193-K216 HydrophobicContact CD1-CB 3.75Å; F193-K216 HydrophobicContact CD2-CB 4.07Å; F193-K216 HydrophobicContact CD2-CD 4.12Å; F193-K216 HydrophobicContact CE1-CB 3.73Å; F193-K216 HydrophobicContact CE2-CB 4.05Å; F193-K216 HydrophobicContact CE2-CD 3.99Å; F193-K216 HydrophobicContact CG-CB 3.91Å; F193-K216 HydrophobicContact CZ-CB 3.87Å; F193-K216 HydrophobicContact CZ-CD 4.48Å
194E98.1Very high97Very high145 Ų14568.9 Ų68.968%0.67834%0.343SS*.EExtended strand (participates in β ladder)trans-121.5166.8-179-63.2-178.6174.900109.9D196 L214 S215E194-D196 PolarHBondContact O-N 3.24Å; E194-L214 CarbonylContact O-C 3.52Å; E194-L214 WeakPolarHBondContact O-CA 3.42Å; E194-S215 PolarHBondContact N-O 3.14Å; E194-S215 PolarHBondContact O-N 3.07Å
195T98.2Very high96.7Very high51 Ų5172.1 Ų72.131%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-61.3124.4173-59.10000108.9D199 M202 R212T195-D199 HydrophobicContact CG2-CB 3.53Å; T195-M202 HydrophobicContact CG2-SD 4.47Å; T195-R212 PolarHBondContact OG1-NH2 2.91Å
196D97.7Very high96.2Very high2 Ų275.3 Ų75.31%0.01140%0.398CS..  trans-72.9152.6-179.2-170.578.5000111.4R172 M174 E194 T198 D199 M202 I213 S215R172-D196 IonicContact CZ-OD1 2.69Å; R172-D196 IonicContact NE-OD1 2.62Å; R172-D196 IonicContact NH1-OD1 2.95Å; R172-D196 PolarHBondContact NH1-OD1 2.9Å; R172-D196 IonicContact NH1-OD2 3.3Å; M174-D196 HydrophobicContact CE-CB 4.14Å; M174-D196 VanDerWaalsContact CE-CG 3.46Å; M174-D196 WeakPolarHBondContact CE-OD2 2.79Å; E194-D196 PolarHBondContact O-N 3.24Å; D196-T198 PolarHBondContact O-N 2.7Å; D196-T198 VanDerWaalsContact OD2-CB 3.3Å; D196-T198 WeakPolarHBondContact OD2-CB 3.5Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.29Å; D196-T198 PolarHBondContact OD2-N 3.19Å; D196-T198 PolarHBondContact OD2-OG1 3.18Å; D196-D199 WeakPolarHBondContact O-CB 3.35Å; D196-D199 PolarHBondContact O-N 3.13Å; D196-M202 WeakPolarHBondContact O-CG 3.46Å; D196-I213 HydrophobicContact CB-CB 4.38Å; D196-I213 HydrophobicContact CB-CG2 3.85Å; D196-I213 PolarHBondContact N-O 3.35Å; D196-S215 WeakPolarHBondContact OD1-CB 3.2Å; D196-S215 PolarHBondContact OD1-OG 2.75Å
197E95.7Very high95.8Very high103 Ų10377.8 Ų77.848%0.48141%0.409SS..THydrogen-bonded Turntrans-62.6-22.1177.671.2-168.1157.100113.6R172 D199R172-E197 IonicContact CZ-OE1 3.77Å; R172-E197 VanDerWaalsContact CZ-OE1 3.3Å; R172-E197 IonicContact NH1-OE1 2.81Å; R172-E197 PolarHBondContact NH1-OE1 3.22Å; R172-E197 IonicContact NH2-OE1 3.75Å; R172-E197 PolarHBondContact NH2-OE1 2.86Å; E197-D199 VanDerWaalsContact C-N 3.32Å
198T95.3Very high95.5Very high28 Ų2881.8 Ų81.817%0.17244%0.438CS..THydrogen-bonded Turntrans-83.7-5.5175.164.60000113.3E131 D196E131-T198 HydrophobicContact CG-CG2 3.97Å; D196-T198 PolarHBondContact O-N 2.7Å; D196-T198 VanDerWaalsContact OD2-CB 3.3Å; D196-T198 WeakPolarHBondContact OD2-CB 3.5Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.29Å; D196-T198 PolarHBondContact OD2-N 3.19Å; D196-T198 PolarHBondContact OD2-OG1 3.18Å
199D96.8Very high95.4Very high0 Ų082.9 Ų82.90%045%0.445CS..SBendtrans-61.2135.6178-176-94000111T195 D196 E197 S201 M202 F203 R212 I213T195-D199 HydrophobicContact CG2-CB 3.53Å; D196-D199 WeakPolarHBondContact O-CB 3.35Å; D196-D199 PolarHBondContact O-N 3.13Å; E197-D199 VanDerWaalsContact C-N 3.32Å; D199-S201 PolarHBondContact O-N 2.69Å; D199-S201 WeakPolarHBondContact OD1-CA 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.44Å; D199-S201 PolarHBondContact OD1-N 3.3Å; D199-S201 PolarHBondContact OD1-OG 2.96Å; D199-M202 HydrophobicContact CB-CG 4.27Å; D199-M202 VanDerWaalsContact O-CB 3.3Å; D199-M202 WeakPolarHBondContact O-CB 3.37Å; D199-M202 WeakPolarHBondContact O-CG 3.25Å; D199-M202 PolarHBondContact O-N 3.23Å; D199-F203 WeakPolarHBondContact O-CD2 3.45Å; D199-R212 VanDerWaalsContact OD2-CA 3.23Å; D199-R212 WeakPolarHBondContact OD2-CA 3.47Å; D199-I213 HydrophobicContact CB-CB 4.16Å; D199-I213 PolarHBondContact OD2-N 3.45Å
200P96.5Very high95.3Very high21 Ų2180.5 Ų80.514%0.13644%0.436CS..G310 helixtrans-53.1-26.3179.2-31.938.1000115.1M202 F203 V206 V209 Y211P200-M202 PolarHBondContact O-N 3.33Å; P200-F203 PolarHBondContact O-N 2.93Å; P200-V206 HydrophobicContact CB-CG1 3.96Å; P200-V209 HydrophobicContact CB-CG1 4.35Å; P200-V209 HydrophobicContact CB-CG2 3.9Å; P200-V209 HydrophobicContact CG-CG1 4.39Å; P200-V209 HydrophobicContact CG-CG2 3.96Å; P200-Y211 HydrophobicContact CG-CE2 4.1Å
201S95.2Very high95.3Very high81 Ų8173.9 Ų73.957%0.56641%0.406SS*.G310 helixtrans-69-15.3176.769.80000114.2D199 F203D199-S201 PolarHBondContact O-N 2.69Å; D199-S201 WeakPolarHBondContact OD1-CA 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.44Å; D199-S201 PolarHBondContact OD1-N 3.3Å; D199-S201 PolarHBondContact OD1-OG 2.96Å; S201-F203 VanDerWaalsContact C-N 3.27Å; S201-F203 PolarHBondContact O-N 3.02Å
202M94.2Very high95.3Very high113 Ų11375 Ų7556%0.55741%0.408SS*.G310 helixtrans-77.4-13.5176.3-58.9-58.7-72.100112.8T195 D196 D199 P200T195-M202 HydrophobicContact CG2-SD 4.47Å; D196-M202 WeakPolarHBondContact O-CG 3.46Å; D199-M202 HydrophobicContact CB-CG 4.27Å; D199-M202 VanDerWaalsContact O-CB 3.3Å; D199-M202 WeakPolarHBondContact O-CB 3.37Å; D199-M202 WeakPolarHBondContact O-CG 3.25Å; D199-M202 PolarHBondContact O-N 3.23Å; P200-M202 PolarHBondContact O-N 3.33Å
203F94.3Very high95.4Very high117 Ų11774.3 Ų74.351%0.51340%0.395SS..SBendtrans-112127.9-174.1-59.1-85.9000112.3D199 P200 S201 V206D199-F203 WeakPolarHBondContact O-CD2 3.45Å; P200-F203 PolarHBondContact O-N 2.93Å; S201-F203 VanDerWaalsContact C-N 3.27Å; S201-F203 PolarHBondContact O-N 3.02Å; F203-V206 HydrophobicContact CB-CB 4.5Å; F203-V206 HydrophobicContact CB-CG2 3.59Å
204K91.3Very high95.4Very high215 Ų21574.1 Ų74.194%0.93539%0.394SS*.THydrogen-bonded Turntrans-69.5138.6175.9-67.4-176.6179.61790110.9V206K204-V206 VanDerWaalsContact C-N 3.29Å; K204-V206 PolarHBondContact O-N 2.9Å
205G91.1Very high95.4Very high87 Ų8767.9 Ų67.990%0.89737%0.367SS*.THydrogen-bonded Turntrans82.7-0.9176.500000114.9
206V89Confident95.4Very high77 Ų7768.3 Ų68.347%0.46737%0.365SS..PPolyproline II helixtrans-78.7138.4171.9-177.40000109.6P200 F203 K204P200-V206 HydrophobicContact CB-CG1 3.96Å; F203-V206 HydrophobicContact CB-CB 4.5Å; F203-V206 HydrophobicContact CB-CG2 3.59Å; K204-V206 VanDerWaalsContact C-N 3.29Å; K204-V206 PolarHBondContact O-N 2.9Å
207K89.5Confident95.4Very high186 Ų18671.7 Ų71.781%0.80938%0.382SS*.PPolyproline II helixtrans-61.2142.2177-70.2-176.8179.2179.70110.2V209K207-V209 PolarHBondContact O-N 2.91Å
208T91.9Very high95.3Very high138 Ų13867.7 Ų67.785%0.84737%0.365SS*.PPolyproline II helixtrans-57121.8172.7-57.10000110.2
209V96.8Very high94.8Very high32 Ų3270.4 Ų70.419%0.19437%0.374CS..PPolyproline II helixtrans-98.4160.5171.5-62.20000111K179 P200 K207 Y211K179-V209 WeakPolarHBondContact CE-O 3.3Å; K179-V209 PolarHBondContact NZ-O 3.01Å; P200-V209 HydrophobicContact CB-CG1 4.35Å; P200-V209 HydrophobicContact CB-CG2 3.9Å; P200-V209 HydrophobicContact CG-CG1 4.39Å; P200-V209 HydrophobicContact CG-CG2 3.96Å; K207-V209 PolarHBondContact O-N 2.91Å; V209-Y211 HydrophobicContact CB-CD1 3.84Å; V209-Y211 HydrophobicContact CB-CE1 3.54Å; V209-Y211 HydrophobicContact CG1-CE1 3.79Å; V209-Y211 HydrophobicContact CG2-CD1 4.14Å; V209-Y211 HydrophobicContact CG2-CD2 4.38Å; V209-Y211 HydrophobicContact CG2-CE1 3.95Å; V209-Y211 HydrophobicContact CG2-CE2 4.2Å; V209-Y211 HydrophobicContact CG2-CG 4.36Å
210D97.4Very high93Very high43 Ų4379.8 Ų79.823%0.2342%0.415CS..SBendtrans-95.24.8-179.557.83.2000114S87 S88 K179S87-D210 WeakPolarHBondContact CA-OD2 3.34Å; S87-D210 WeakPolarHBondContact CB-OD2 3.35Å; S88-D210 WeakPolarHBondContact CB-OD2 3.38Å; S88-D210 PolarHBondContact N-OD2 2.9Å; S88-D210 VanDerWaalsContact OG-CG 3.31Å; S88-D210 PolarHBondContact OG-OD1 3.13Å; S88-D210 PolarHBondContact OG-OD2 3.09Å; K179-D210 VanDerWaalsContact CB-O 3.29Å; K179-D210 WeakPolarHBondContact CB-O 3.36Å; K179-D210 WeakPolarHBondContact CG-O 3.19Å; K179-D210 PolarHBondContact N-O 3.35Å
211Y98.3Very high90.8Very high46 Ų4684 Ų8418%0.1843%0.433CS..EExtended strand (participates in β ladder)trans-118.5169.8175.264.6-91.7000111.8W89 T176 V177 K179 P200 V209 I213W89-Y211 AromaticContact CE2-CD1 3.77Å; W89-Y211 AromaticContact CE2-CE1 3.98Å; W89-Y211 HydrophobicContact CH2-CD1 4.12Å; W89-Y211 HydrophobicContact CH2-CG 4.11Å; W89-Y211 AromaticContact CZ2-CD1 3.29Å; W89-Y211 HydrophobicContact CZ2-CD1 3.29Å; W89-Y211 HydrophobicContact CZ2-CD2 4.32Å; W89-Y211 AromaticContact CZ2-CE1 3.53Å; W89-Y211 HydrophobicContact CZ2-CE1 3.53Å; W89-Y211 AromaticContact CZ2-CG 3.72Å; W89-Y211 HydrophobicContact CZ2-CG 3.72Å; W89-Y211 AromaticContact NE1-CD1 3.96Å; W89-Y211 AromaticContact NE1-CE1 3.9Å; T176-Y211 HydrophobicContact CG2-CD2 3.55Å; T176-Y211 HydrophobicContact CG2-CE2 4.42Å; T176-Y211 HydrophobicContact CG2-CG 3.89Å; V177-Y211 CarbonylContact O-C 3.49Å; V177-Y211 VanDerWaalsContact O-CA 3.31Å; V177-Y211 WeakPolarHBondContact O-CA 3.48Å; K179-Y211 WeakPolarHBondContact CE-O 3.39Å; P200-Y211 HydrophobicContact CG-CE2 4.1Å; V209-Y211 HydrophobicContact CB-CD1 3.84Å; V209-Y211 HydrophobicContact CB-CE1 3.54Å; V209-Y211 HydrophobicContact CG1-CE1 3.79Å; V209-Y211 HydrophobicContact CG2-CD1 4.14Å; V209-Y211 HydrophobicContact CG2-CD2 4.38Å; V209-Y211 HydrophobicContact CG2-CE1 3.95Å; V209-Y211 HydrophobicContact CG2-CE2 4.2Å; V209-Y211 HydrophobicContact CG2-CG 4.36Å; Y211-I213 HydrophobicContact CD2-CG1 4.33Å; Y211-I213 HydrophobicContact CE2-CD1 4.44Å; Y211-I213 HydrophobicContact CE2-CG1 4.12Å
212R98Very high88Confident48 Ų4887 Ų8718%0.18144%0.443CS..EExtended strand (participates in β ladder)trans-129.8139.6170.5-68.4169.966.3-164.86109.2T176 V177 K179 N185 E189 T195 D199 L214T176-R212 WeakPolarHBondContact CA-O 3.31Å; V177-R212 HydrophobicContact CG1-CB 4.25Å; V177-R212 PolarHBondContact N-O 2.87Å; V177-R212 PolarHBondContact O-N 3.27Å; K179-R212 HydrophobicContact CD-CG 4.45Å; K179-R212 HydrophobicContact CG-CG 3.82Å; N185-R212 PolarHBondContact OD1-NH1 3.38Å; E189-R212 IonicContact OE1-CZ 3.61Å; E189-R212 IonicContact OE1-NH1 3.28Å; E189-R212 PolarHBondContact OE1-NH1 3.47Å; E189-R212 IonicContact OE1-NH2 3.92Å; T195-R212 PolarHBondContact OG1-NH2 2.91Å; D199-R212 VanDerWaalsContact OD2-CA 3.23Å; D199-R212 WeakPolarHBondContact OD2-CA 3.47Å; R212-L214 HydrophobicContact CB-CD2 4.12Å
213I98.5Very high85.3Confident23 Ų2389.1 Ų89.112%0.11846%0.456CS..EExtended strand (participates in β ladder)trans-91.7122.9165.6-53.7-178.5000107M174 L175 D196 D199 Y211M174-I213 HydrophobicContact CE-CG2 3.69Å; L175-I213 WeakPolarHBondContact O-CA 3.11Å; D196-I213 HydrophobicContact CB-CB 4.38Å; D196-I213 HydrophobicContact CB-CG2 3.85Å; D196-I213 PolarHBondContact N-O 3.35Å; D199-I213 HydrophobicContact CB-CB 4.16Å; D199-I213 PolarHBondContact OD2-N 3.45Å; Y211-I213 HydrophobicContact CD2-CG1 4.33Å; Y211-I213 HydrophobicContact CE2-CD1 4.44Å; Y211-I213 HydrophobicContact CE2-CG1 4.12Å
214L98.8Very high82.3Confident0 Ų090.8 Ų90.80%047%0.47CS..EExtended strand (participates in β ladder)trans-115.3147.8177.8-54.5-176.3000110.1M174 L175 V177 F188 F193 E194 R212M174-L214 WeakPolarHBondContact CA-O 3.4Å; L175-L214 HydrophobicContact CD1-CB 4.11Å; L175-L214 HydrophobicContact CD1-CD1 4.21Å; L175-L214 HydrophobicContact CD1-CG 4.33Å; L175-L214 HydrophobicContact CG-CB 4.29Å; L175-L214 PolarHBondContact N-O 3.39Å; L175-L214 PolarHBondContact O-N 2.96Å; V177-L214 HydrophobicContact CG1-CD1 3.75Å; V177-L214 HydrophobicContact CG1-CG 4.04Å; F188-L214 HydrophobicContact CB-CD1 3.76Å; F188-L214 HydrophobicContact CD2-CD1 4.21Å; F188-L214 HydrophobicContact CG-CD1 4.32Å; F193-L214 HydrophobicContact CB-CB 4.22Å; F193-L214 HydrophobicContact CD1-CB 4.45Å; E194-L214 CarbonylContact O-C 3.52Å; E194-L214 WeakPolarHBondContact O-CA 3.42Å; R212-L214 HydrophobicContact CB-CD2 4.12Å
215S98.5Very high79.6Confident15 Ų1586.3 Ų86.311%0.10547%0.466CS..EExtended strand (participates in β ladder)trans-143162.1171.774.40000112.8V173 F193 E194 D196V173-S215 CarbonylContact O-C 3.5Å; V173-S215 WeakPolarHBondContact O-CA 3.37Å; V173-S215 WeakPolarHBondContact O-CB 3.41Å; F193-S215 WeakPolarHBondContact CA-O 3.27Å; E194-S215 PolarHBondContact N-O 3.14Å; E194-S215 PolarHBondContact O-N 3.07Å; D196-S215 WeakPolarHBondContact OD1-CB 3.2Å; D196-S215 PolarHBondContact OD1-OG 2.75Å
216K98.3Very high76.8Confident59 Ų5985.8 Ų85.826%0.25746%0.46SS..EExtended strand (participates in β ladder)trans-138.5125.6171.2-176.3174.3178.3-177.30108.9L162 R172 V173 L191 F193 T218L162-K216 HydrophobicContact CD1-CD 4.03Å; L162-K216 HydrophobicContact CD2-CB 4.44Å; L162-K216 HydrophobicContact CD2-CD 4.1Å; L162-K216 HydrophobicContact CD2-CG 4.26Å; R172-K216 WeakPolarHBondContact CA-O 3.45Å; R172-K216 WeakPolarHBondContact CB-O 3.44Å; V173-K216 PolarHBondContact N-O 3.27Å; V173-K216 PolarHBondContact O-N 3.31Å; L191-K216 WeakPolarHBondContact O-CD 3.5Å; L191-K216 WeakPolarHBondContact O-CE 3.11Å; L191-K216 PolarHBondContact O-NZ 3.38Å; F193-K216 HydrophobicContact CD1-CB 3.75Å; F193-K216 HydrophobicContact CD2-CB 4.07Å; F193-K216 HydrophobicContact CD2-CD 4.12Å; F193-K216 HydrophobicContact CE1-CB 3.73Å; F193-K216 HydrophobicContact CE2-CB 4.05Å; F193-K216 HydrophobicContact CE2-CD 3.99Å; F193-K216 HydrophobicContact CG-CB 3.91Å; F193-K216 HydrophobicContact CZ-CB 3.87Å; F193-K216 HydrophobicContact CZ-CD 4.48Å; K216-T218 PolarHBondContact O-N 3.36Å
217L97.7Very high74.2Confident73 Ų7387 Ų8738%0.38247%0.472SS..EExtended strand (participates in β ladder)trans-60.7135.1176.5-65.4179.6000110.4R172 F219 E221R172-L217 HydrophobicContact CB-CD2 4.29Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 WeakPolarHBondContact CB-O 3.35Å; L217-E221 HydrophobicContact CD1-CG 4.45Å
218T93.8Very high71.7Confident19 Ų1986.5 Ų86.512%0.11747%0.473CS..SBendtrans-74.1-31.2-178.9-54.90000111.9S165 L166 M170 H171 R172 K216S165-T218 VanDerWaalsContact C-CG2 3.44Å; S165-T218 PolarHBondContact OG-OG1 3.09Å; L166-T218 HydrophobicContact CB-CG2 3.48Å; L166-T218 VanDerWaalsContact CB-CG2 3.48Å; L166-T218 HydrophobicContact CD1-CG2 3.93Å; L166-T218 HydrophobicContact CG-CG2 4.31Å; M170-T218 WeakPolarHBondContact O-CB 3.27Å; M170-T218 PolarHBondContact O-OG1 3.48Å; H171-T218 WeakPolarHBondContact O-CB 3.43Å; H171-T218 PolarHBondContact O-N 3.02Å; H171-T218 PolarHBondContact O-OG1 3.23Å; R172-T218 WeakPolarHBondContact CA-OG1 3.42Å; R172-T218 PolarHBondContact N-OG1 3.48Å; K216-T218 PolarHBondContact O-N 3.36Å
219F86Confident69Low85 Ų8589.8 Ų89.837%0.37348%0.476SS..SBendtrans-118.6145.8174.241.8-94.2000109H171 L217 E221H171-F219 AromaticContact ND1-CE1 3.96Å; H171-F219 AromaticContact ND1-CE2 3.78Å; H171-F219 AromaticContact ND1-CZ 3.19Å; H171-F219 WeakPolarHBondContact ND1-CZ 3.32Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 WeakPolarHBondContact CB-O 3.35Å; F219-E221 HydrophobicContact CD2-CG 4.21Å; F219-E221 HydrophobicContact CE2-CG 4.07Å; F219-E221 PolarHBondContact O-N 3.42Å; F219-E221 VanDerWaalsContact O-N 3.16Å
220K58.7Low66Low197 Ų19792.3 Ų92.386%0.85750%0.5SS*.  trans-68.8112.7161.8-68.4-175.1178.8-177.90105.8N222K220-N222 PolarHBondContact O-N 3.03Å
221E50.3Low62.9Low111 Ų11196.7 Ų96.752%0.51953%0.528SS..  trans-52.2118.3162.8-74.6-173.7161.300106.6L217 F219 L223L217-E221 HydrophobicContact CD1-CG 4.45Å; F219-E221 HydrophobicContact CD2-CG 4.21Å; F219-E221 HydrophobicContact CE2-CG 4.07Å; F219-E221 PolarHBondContact O-N 3.42Å; F219-E221 VanDerWaalsContact O-N 3.16Å; E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 2.92Å
222N35.8Very low59.7Low142 Ų14299.6 Ų99.676%0.75956%0.556SS**  trans-60.3105.7166.2-82.2-38.2000105.4K220 N224K220-N222 PolarHBondContact O-N 3.03Å; N222-N224 PolarHBondContact O-N 3.3Å
223L36.7Very low56.7Low159 Ų159104.8 Ų104.883%0.83259%0.586SS**THydrogen-bonded Turntrans-62.319.9177.8-76.1167000113.9E221E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 2.92Å
224N31.5Very low53.6Low151 Ų151111.7 Ų111.781%0.80762%0.618SS**THydrogen-bonded Turntrans-108.825.6179.6-77.7-7.7000113.6N222N222-N224 PolarHBondContact O-N 3.3Å
225S34.4Very low50.8Low122 Ų122121.5 Ų121.585%0.85368%0.678SS**SBendtrans-105.850.4160.548.90000111.1
226G32.9Very low48.4Very low75 Ų75126.9 Ų126.977%0.77371%0.707SS**  trans-131.918.6178.400000114.7
227S35.4Very low45.8Very low104 Ų104130.4 Ų130.473%0.72773%0.73SS**SBendtrans-132.236-17665.30000115
228Q35.3Very low42.9Very low175 Ų175133.6 Ų133.682%0.81875%0.75SS**  trans-143.594.9158.2-68.1-168.227.800108.1
229F36.5Very low39.9Very low206 Ų206140.4 Ų140.490%0.90479%0.787SS**SBendtrans175.390.7139-87.4-63.6000108.3
230A34.3Very low37Very low86 Ų86143.8 Ų143.871%0.71181%0.813SS**  trans47.399.9147.100000117.2
231T30.4Very low35.6Very low134 Ų134140.3 Ų140.382%0.82281%0.81SS**  11.8115.777.431.20000117.2
232S31.2Very low34.5Very low108 Ų108142.4 Ų142.476%0.75583%0.831SS**  trans68.1116.3154.463.70000119.8
233L35.4Very low34.4Very low156 Ų156142.4 Ų142.482%0.81784%0.836SS**  -165.4106.9120.3-88.7156.9000105
234Q32.9Very low34.2Very low169 Ų169141 Ų14179%0.7984%0.837SS**  52.5126.989.7-75.4-172-15.800111.9
235T40.3Very low34.5Very low206 Ų206140.1 Ų140.1100%1.26484%0.839SS**  cis-161.908.227.10000105.4

Retrieved 235 of 235 residues in 49.3 ms (Link to these results)

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