A0A087XRL2_POEFO Loading...

High mobility group protein B2

AlphaFold DB , UniProt , Accession A0A087XRL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 215 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
1M49.6Very low77.9Confident236 Ų236115.5 Ų115.5100%1.16359%0.591SS**  095.80-92.8150.6166.700107.9
2T57.3Low79.2Confident144 Ų144108.3 Ų108.388%0.88356%0.557SS**PPolyproline II helixtrans-67.9132.1169.939.40000107.8D4T2-D4 PolarHBondContact O-N 3.15Å
3K68.6Low80.3Confident179 Ų179105 Ų10578%0.77855%0.549SS*.PPolyproline II helixtrans-68.7130177-166.6168.8-176.3175.90107.1P5K3-P5 WeakPolarHBondContact O-CD 3.4Å
4D77.9Confident81.2Confident35 Ų3598.1 Ų98.119%0.18751%0.514CS..PPolyproline II helixtrans-56.5120.6178-174.6-20.3000109.5T2 N6 K7 Y78 P81T2-D4 PolarHBondContact O-N 3.15Å; D4-N6 PolarHBondContact O-N 3.26Å; D4-N6 WeakPolarHBondContact OD1-CB 3.28Å; D4-N6 PolarHBondContact OD1-N 2.79Å; D4-K7 HydrophobicContact CB-CB 4.01Å; D4-K7 WeakPolarHBondContact O-CB 3.14Å; D4-K7 PolarHBondContact O-N 2.81Å; D4-Y78 PolarHBondContact OD2-OH 3.19Å; D4-P81 WeakPolarHBondContact OD2-CD 3.37Å; D4-P81 WeakPolarHBondContact OD2-CG 3.47Å
5P79.9Confident81.8Confident121 Ų12196.1 Ų96.179%0.78650%0.498SS*.THydrogen-bonded Turntrans-66.3-25.1-179.527.1-34.5000113K3 K7K3-P5 WeakPolarHBondContact O-CD 3.4Å; P5-K7 VanDerWaalsContact C-N 3.32Å
6N82.2Confident82.4Confident129 Ų12992.6 Ų92.669%0.6949%0.488SS*.THydrogen-bonded Turntrans-84.4-9.3177.8-64.5-49.1000112.6D4 P8 Y78D4-N6 PolarHBondContact O-N 3.26Å; D4-N6 WeakPolarHBondContact OD1-CB 3.28Å; D4-N6 PolarHBondContact OD1-N 2.79Å; N6-P8 WeakPolarHBondContact O-CD 3.32Å; N6-Y78 HydrophobicContact CB-CE2 4.32Å; N6-Y78 VanDerWaalsContact O-CD2 3.25Å; N6-Y78 WeakPolarHBondContact O-CD2 3.4Å; N6-Y78 WeakPolarHBondContact O-CE2 3.45Å
7K84.8Confident83Confident101 Ų10189.8 Ų89.844%0.43947%0.471SS..SBendtrans-67.8123.7177.8-177.9167.4-177.5165.50110.4D4 P5 R9 Y78D4-K7 HydrophobicContact CB-CB 4.01Å; D4-K7 WeakPolarHBondContact O-CB 3.14Å; D4-K7 PolarHBondContact O-N 2.81Å; P5-K7 VanDerWaalsContact C-N 3.32Å; K7-R9 PolarHBondContact O-N 3.34Å; K7-Y78 VanDerWaalsContact CA-CE2 3.45Å; K7-Y78 HydrophobicContact CB-CE2 4.07Å; K7-Y78 HydrophobicContact CG-CE1 4.31Å
8P88.2Confident83.4Confident14 Ų1485.1 Ų85.19%0.09145%0.446CS..PPolyproline II helixtrans-48.5135.8174.9-32.438000112N6 G10 Y71 E74 M75 Y78N6-P8 WeakPolarHBondContact O-CD 3.32Å; P8-G10 PolarHBondContact O-N 3.28Å; P8-Y71 HydrophobicContact CB-CD2 4.18Å; P8-Y71 HydrophobicContact CB-CE2 4.23Å; P8-E74 HydrophobicContact CB-CB 3.72Å; P8-E74 WeakPolarHBondContact CB-OE2 3.11Å; P8-E74 HydrophobicContact CG-CB 3.73Å; P8-M75 HydrophobicContact CB-CG 4.21Å; P8-M75 HydrophobicContact CB-SD 3.97Å; P8-M75 HydrophobicContact CG-CG 4.24Å; P8-M75 HydrophobicContact CG-SD 3.78Å; P8-Y78 VanDerWaalsContact CD-CD2 3.47Å; P8-Y78 HydrophobicContact CG-CD2 4.39Å; P8-Y78 HydrophobicContact CG-CG 4.01Å
9R87.3Confident83.8Confident164 Ų16482 Ų8262%0.61943%0.43SS*.PPolyproline II helixtrans-66.8129.1177.6-172.3-179.469.4-168.3-0.6108.7K7 R70 Y71K7-R9 PolarHBondContact O-N 3.34Å; R9-R70 PolarHBondContact O-NH2 3.13Å; R9-Y71 WeakPolarHBondContact O-CD2 3.12Å
10G88.8Confident84Confident37 Ų3780.2 Ų80.238%0.38143%0.428SS..PPolyproline II helixtrans-52.3158.1-17900000114.1P8 T12P8-G10 PolarHBondContact O-N 3.28Å; G10-T12 PolarHBondContact O-N 2.93Å
11K92.6Very high84.2Confident110 Ų11078.5 Ų78.548%0.47842%0.421SS..PPolyproline II helixtrans-58.3132.3-179.1-62.3-174.3-104.2-1470111.5D67 K68 Y71 D72K11-D67 WeakPolarHBondContact CA-OD2 3.49Å; K11-K68 HydrophobicContact CD-CB 4.04Å; K11-K68 HydrophobicContact CD-CG 3.76Å; K11-Y71 HydrophobicContact CD-CD1 3.55Å; K11-Y71 HydrophobicContact CD-CE1 4.23Å; K11-Y71 HydrophobicContact CD-CG 4.06Å; K11-Y71 VanDerWaalsContact CG-CB 3.48Å; K11-Y71 HydrophobicContact CG-CD1 3.38Å; K11-Y71 HydrophobicContact CG-CD2 4.2Å; K11-Y71 HydrophobicContact CG-CE1 4.12Å; K11-Y71 HydrophobicContact CG-CG 3.4Å; K11-Y71 VanDerWaalsContact CG-CG 3.4Å; K11-D72 IonicContact NZ-OD1 3.98Å; K11-D72 PolarHBondContact NZ-OD1 3.2Å; K11-D72 IonicContact NZ-OD2 3.07Å
12T92.8Very high86Confident30 Ų3067.6 Ų67.618%0.18437%0.367CS..PPolyproline II helixtrans-95.8122.4179.2-50.90000108.5G10 A16 F17 D67G10-T12 PolarHBondContact O-N 2.93Å; T12-A16 HydrophobicContact CG2-CB 3.62Å; T12-F17 VanDerWaalsContact CB-CE2 3.49Å; T12-F17 HydrophobicContact CG2-CD1 4.1Å; T12-F17 HydrophobicContact CG2-CD2 3.71Å; T12-F17 HydrophobicContact CG2-CE1 3.98Å; T12-F17 HydrophobicContact CG2-CE2 3.59Å; T12-F17 HydrophobicContact CG2-CG 3.96Å; T12-F17 HydrophobicContact CG2-CZ 3.72Å; T12-F17 WeakPolarHBondContact O-CE2 3.43Å; T12-D67 WeakPolarHBondContact CB-OD2 3.44Å; T12-D67 PolarHBondContact N-OD2 3.01Å; T12-D67 PolarHBondContact OG1-OD2 3.37Å
13S93.7Very high87.3Confident65 Ų6566.4 Ų66.446%0.45535%0.347SS..PPolyproline II helixtrans-75.7162.5179.269.10000112.1Y15 A16 F17S13-Y15 PolarHBondContact O-N 2.92Å; S13-A16 WeakPolarHBondContact O-CA 3.3Å; S13-A16 WeakPolarHBondContact O-CB 3.41Å; S13-A16 PolarHBondContact O-N 3.36Å; S13-A16 PolarHBondContact OG-N 3.45Å; S13-F17 WeakPolarHBondContact O-CD2 3.47Å; S13-F17 PolarHBondContact O-N 3.4Å
14A92.6Very high88.2Confident8 Ų863.8 Ų63.87%0.06634%0.337CS..Hα-helixtrans-55-43176.600000111.8A16 F17 F18 W48 F60 D61 A64A14-A16 PolarHBondContact O-N 3.4Å; A14-F17 PolarHBondContact O-N 3.49Å; A14-F18 PolarHBondContact O-N 3.35Å; A14-W48 HydrophobicContact CB-CH2 3.88Å; A14-W48 HydrophobicContact CB-CZ2 4.19Å; A14-F60 WeakPolarHBondContact CA-O 3.34Å; A14-F60 HydrophobicContact CB-CB 3.9Å; A14-F60 WeakPolarHBondContact CB-O 3.29Å; A14-D61 WeakPolarHBondContact CB-OD1 3.45Å; A14-A64 HydrophobicContact CB-CB 4.05Å
15Y90.6Very high88.6Confident69 Ų6965.8 Ų65.827%0.27135%0.346SS..Hα-helixtrans-63.8-38.5174.7179.8-114.5000112.6S13 F18 V19 S45 W48S13-Y15 PolarHBondContact O-N 2.92Å; Y15-F18 HydrophobicContact CD2-CD1 4.06Å; Y15-F18 HydrophobicContact CE2-CD1 4.09Å; Y15-F18 HydrophobicContact CE2-CE1 4.48Å; Y15-F18 WeakPolarHBondContact O-CB 3.39Å; Y15-F18 PolarHBondContact O-N 3.29Å; Y15-V19 HydrophobicContact CD1-CG2 4.13Å; Y15-V19 HydrophobicContact CD2-CG2 4.15Å; Y15-V19 HydrophobicContact CE1-CG2 3.68Å; Y15-V19 HydrophobicContact CE2-CG2 3.72Å; Y15-V19 HydrophobicContact CG-CG2 4.37Å; Y15-V19 VanDerWaalsContact CZ-CG2 3.45Å; Y15-V19 VanDerWaalsContact O-CG2 3.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 2.89Å; Y15-S45 VanDerWaalsContact OH-CA 3.26Å; Y15-S45 WeakPolarHBondContact OH-CA 3.46Å; Y15-S45 WeakPolarHBondContact OH-CB 3.27Å; Y15-S45 PolarHBondContact OH-N 3.47Å; Y15-W48 HydrophobicContact CD2-CB 3.67Å; Y15-W48 AromaticContact CD2-CD1 3.69Å; Y15-W48 AromaticContact CD2-CD2 3.57Å; Y15-W48 HydrophobicContact CD2-CD2 3.57Å; Y15-W48 HydrophobicContact CD2-CE3 4.1Å; Y15-W48 AromaticContact CD2-CG 3.35Å; Y15-W48 HydrophobicContact CD2-CG 3.35Å; Y15-W48 HydrophobicContact CE2-CB 3.53Å; Y15-W48 HydrophobicContact CE2-CD2 4.37Å; Y15-W48 AromaticContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CG-CD2 4.46Å; Y15-W48 HydrophobicContact CG-CG 4.42Å
16A92.1Very high88.7Confident40 Ų4062.4 Ų62.433%0.33132%0.319SS..Hα-helixtrans-66.1-39.3177.900000112T12 S13 A14 V19 A20T12-A16 HydrophobicContact CG2-CB 3.62Å; S13-A16 WeakPolarHBondContact O-CA 3.3Å; S13-A16 WeakPolarHBondContact O-CB 3.41Å; S13-A16 PolarHBondContact O-N 3.36Å; S13-A16 PolarHBondContact OG-N 3.45Å; A14-A16 PolarHBondContact O-N 3.4Å; A16-V19 PolarHBondContact O-N 3.2Å; A16-A20 PolarHBondContact O-N 2.99Å
17F91.9Very high88.8Confident45 Ų4564.2 Ų64.220%0.19732%0.321CS..Hα-helixtrans-62.1-42.2170.6-78.5-64.3000112T12 S13 A14 A20 T21 F60 M63 D67T12-F17 VanDerWaalsContact CB-CE2 3.49Å; T12-F17 HydrophobicContact CG2-CD1 4.1Å; T12-F17 HydrophobicContact CG2-CD2 3.71Å; T12-F17 HydrophobicContact CG2-CE1 3.98Å; T12-F17 HydrophobicContact CG2-CE2 3.59Å; T12-F17 HydrophobicContact CG2-CG 3.96Å; T12-F17 HydrophobicContact CG2-CZ 3.72Å; T12-F17 WeakPolarHBondContact O-CE2 3.43Å; S13-F17 WeakPolarHBondContact O-CD2 3.47Å; S13-F17 PolarHBondContact O-N 3.4Å; A14-F17 PolarHBondContact O-N 3.49Å; F17-A20 WeakPolarHBondContact O-CB 3.2Å; F17-A20 PolarHBondContact O-N 3Å; F17-T21 WeakPolarHBondContact O-CG2 3.43Å; F17-T21 PolarHBondContact O-N 2.97Å; F17-F60 HydrophobicContact CB-CD1 3.88Å; F17-M63 HydrophobicContact CB-SD 4.49Å; F17-M63 HydrophobicContact CD1-SD 4.43Å; F17-M63 HydrophobicContact CD2-CB 3.89Å; F17-M63 HydrophobicContact CE2-CB 4.14Å; F17-M63 WeakPolarHBondContact CE2-O 3.43Å; F17-M63 HydrophobicContact CG-CB 4.15Å; F17-M63 HydrophobicContact CG-SD 4.45Å; F17-D67 HydrophobicContact CE2-CB 3.71Å; F17-D67 HydrophobicContact CZ-CB 3.72Å
18F90.8Very high88.9Confident5 Ų567.4 Ų67.42%0.02233%0.334CS..Hα-helixtrans-63.6-41.4175.8169.6-97.8000113.6A14 Y15 A20 T21 C22 C44 R47 W48 M52 F60A14-F18 PolarHBondContact O-N 3.35Å; Y15-F18 HydrophobicContact CD2-CD1 4.06Å; Y15-F18 HydrophobicContact CE2-CD1 4.09Å; Y15-F18 HydrophobicContact CE2-CE1 4.48Å; Y15-F18 WeakPolarHBondContact O-CB 3.39Å; Y15-F18 PolarHBondContact O-N 3.29Å; F18-A20 VanDerWaalsContact C-N 3.26Å; F18-A20 PolarHBondContact O-N 3.46Å; F18-T21 PolarHBondContact O-N 3.44Å; F18-T21 PolarHBondContact O-OG1 3.33Å; F18-C22 VanDerWaalsContact CE2-SG 3.56Å; F18-C22 WeakPolarHBondContact CZ-SG 3.39Å; F18-C22 WeakPolarHBondContact O-CB 3.41Å; F18-C22 PolarHBondContact O-N 3.26Å; F18-C22 PolarHBondContact O-SG 2.92Å; F18-C44 HydrophobicContact CE1-CB 4.38Å; F18-C44 WeakPolarHBondContact CE1-O 3.2Å; F18-R47 HydrophobicContact CE1-CB 4.37Å; F18-R47 HydrophobicContact CZ-CB 3.92Å; F18-R47 HydrophobicContact CZ-CG 3.77Å; F18-W48 HydrophobicContact CB-CE3 3.57Å; F18-W48 HydrophobicContact CB-CH2 4.47Å; F18-W48 HydrophobicContact CB-CZ3 3.44Å; F18-W48 VanDerWaalsContact CB-CZ3 3.44Å; F18-W48 HydrophobicContact CD1-CB 4.12Å; F18-W48 HydrophobicContact CD1-CD2 4.28Å; F18-W48 AromaticContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CZ3 4.31Å; F18-W48 AromaticContact CD2-CE3 3.83Å; F18-W48 HydrophobicContact CD2-CE3 3.83Å; F18-W48 HydrophobicContact CD2-CZ3 4.08Å; F18-W48 HydrophobicContact CE1-CB 3.87Å; F18-W48 HydrophobicContact CE1-CE3 4.14Å; F18-W48 HydrophobicContact CE2-CE3 4.4Å; F18-W48 HydrophobicContact CG-CD2 4.46Å; F18-W48 AromaticContact CG-CE3 3.34Å; F18-W48 HydrophobicContact CG-CE3 3.34Å; F18-W48 AromaticContact CG-CZ3 3.69Å; F18-W48 HydrophobicContact CG-CZ3 3.69Å; F18-M52 HydrophobicContact CD2-CE 4.28Å; F18-M52 HydrophobicContact CD2-CG 4.28Å; F18-M52 HydrophobicContact CD2-SD 3.86Å; F18-M52 HydrophobicContact CE2-CE 4.41Å; F18-M52 HydrophobicContact CE2-CG 3.75Å; F18-M52 HydrophobicContact CE2-SD 3.41Å; F18-M52 WeakPolarHBondContact CE2-SD 3.35Å; F18-M52 HydrophobicContact CZ-CG 4Å; F18-M52 HydrophobicContact CZ-SD 4.21Å; F18-F60 HydrophobicContact CB-CD1 3.98Å; F18-F60 HydrophobicContact CB-CD2 4.28Å; F18-F60 HydrophobicContact CB-CE1 3.96Å; F18-F60 HydrophobicContact CB-CE2 4.27Å; F18-F60 HydrophobicContact CB-CG 4.14Å; F18-F60 HydrophobicContact CB-CZ 4.12Å; F18-F60 HydrophobicContact CD2-CD2 4.33Å; F18-F60 HydrophobicContact CD2-CE1 4.48Å; F18-F60 AromaticContact CD2-CE2 3.72Å; F18-F60 HydrophobicContact CD2-CE2 3.72Å; F18-F60 AromaticContact CD2-CZ 3.8Å; F18-F60 HydrophobicContact CD2-CZ 3.8Å; F18-F60 HydrophobicContact CG-CE2 4.49Å; F18-F60 HydrophobicContact CG-CZ 4.47Å
19V89.8Confident88.7Confident26 Ų2674 Ų7416%0.15836%0.362CS..Hα-helixtrans-63.6-38.4175.2172.80000109.9Y15 A16 C22 R23 F40 C44Y15-V19 HydrophobicContact CD1-CG2 4.13Å; Y15-V19 HydrophobicContact CD2-CG2 4.15Å; Y15-V19 HydrophobicContact CE1-CG2 3.68Å; Y15-V19 HydrophobicContact CE2-CG2 3.72Å; Y15-V19 HydrophobicContact CG-CG2 4.37Å; Y15-V19 VanDerWaalsContact CZ-CG2 3.45Å; Y15-V19 VanDerWaalsContact O-CG2 3.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 2.89Å; A16-V19 PolarHBondContact O-N 3.2Å; V19-C22 PolarHBondContact O-N 2.98Å; V19-R23 VanDerWaalsContact O-CG 3.3Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.06Å; V19-F40 HydrophobicContact CG1-CE1 4.14Å; V19-C44 HydrophobicContact CG2-CB 3.99Å
20A88.9Confident88.3Confident46 Ų4670.5 Ų70.538%0.3835%0.352SS..Hα-helixtrans-62.9-47.4175.900000112A16 F17 F18 C22 R23 E24A16-A20 PolarHBondContact O-N 2.99Å; F17-A20 WeakPolarHBondContact O-CB 3.2Å; F17-A20 PolarHBondContact O-N 3Å; F18-A20 VanDerWaalsContact C-N 3.26Å; F18-A20 PolarHBondContact O-N 3.46Å; A20-C22 VanDerWaalsContact C-N 3.35Å; A20-C22 PolarHBondContact O-N 2.71Å; A20-R23 WeakPolarHBondContact O-CB 3.36Å; A20-R23 PolarHBondContact O-N 3.09Å; A20-R23 VanDerWaalsContact O-N 3.11Å; A20-E24 PolarHBondContact O-N 3.35Å
21T88.6Confident87.9Confident45 Ų4573.8 Ų73.828%0.27637%0.367SS..Hα-helixtrans-63.2-41.1176.757.80000111.9F17 F18 R23 E24 E25 F60F17-T21 WeakPolarHBondContact O-CG2 3.43Å; F17-T21 PolarHBondContact O-N 2.97Å; F18-T21 PolarHBondContact O-N 3.44Å; F18-T21 PolarHBondContact O-OG1 3.33Å; T21-R23 VanDerWaalsContact C-N 3.27Å; T21-R23 PolarHBondContact O-N 3.28Å; T21-E24 PolarHBondContact O-N 3.22Å; T21-E25 WeakPolarHBondContact O-CG 3.26Å; T21-E25 PolarHBondContact O-N 2.9Å; T21-F60 HydrophobicContact CG2-CE1 3.84Å; T21-F60 HydrophobicContact CG2-CZ 4.33Å
22C87Confident86.9Confident6 Ų672.7 Ų72.74%0.04139%0.387CS..Hα-helixtrans-61-35.9174.4-72.70000112.4F18 V19 A20 H26 F40F18-C22 VanDerWaalsContact CE2-SG 3.56Å; F18-C22 WeakPolarHBondContact CZ-SG 3.39Å; F18-C22 WeakPolarHBondContact O-CB 3.41Å; F18-C22 PolarHBondContact O-N 3.26Å; F18-C22 PolarHBondContact O-SG 2.92Å; V19-C22 PolarHBondContact O-N 2.98Å; A20-C22 VanDerWaalsContact C-N 3.35Å; A20-C22 PolarHBondContact O-N 2.71Å; C22-H26 WeakPolarHBondContact O-CB 3.46Å; C22-H26 PolarHBondContact O-N 3.25Å; C22-F40 HydrophobicContact CB-CE2 4.48Å; C22-F40 HydrophobicContact CB-CZ 3.79Å
23R84.3Confident86Confident120 Ų12075.5 Ų75.545%0.45340%0.404SS..Hα-helixtrans-67.3-43176.8-77.6176.2133.3174.1-8.6111.1V19 A20 T21 H26 K27 F37 F40V19-R23 VanDerWaalsContact O-CG 3.3Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.06Å; A20-R23 WeakPolarHBondContact O-CB 3.36Å; A20-R23 PolarHBondContact O-N 3.09Å; A20-R23 VanDerWaalsContact O-N 3.11Å; T21-R23 VanDerWaalsContact C-N 3.27Å; T21-R23 PolarHBondContact O-N 3.28Å; R23-H26 PolarHBondContact O-N 2.89Å; R23-K27 WeakPolarHBondContact O-CB 3.36Å; R23-K27 PolarHBondContact O-N 2.94Å; R23-F37 VanDerWaalsContact NH2-CD2 3.31Å; R23-F40 HydrophobicContact CB-CE1 4.38Å; R23-F40 HydrophobicContact CB-CZ 4.12Å; R23-F40 HydrophobicContact CG-CD1 4.11Å; R23-F40 HydrophobicContact CG-CE1 3.2Å; R23-F40 HydrophobicContact CG-CE2 4.38Å; R23-F40 HydrophobicContact CG-CZ 3.38Å
24E86.7Confident84.7Confident123 Ų12378 Ų7858%0.57542%0.421SS*.Hα-helixtrans-65.2-44.5177.3-69.6-172.2163.500112.2A20 T21 H26 K27 K28A20-E24 PolarHBondContact O-N 3.35Å; T21-E24 PolarHBondContact O-N 3.22Å; E24-H26 VanDerWaalsContact C-N 3.28Å; E24-H26 PolarHBondContact O-N 3.12Å; E24-K27 PolarHBondContact O-N 3.37Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.39Å
25E86.1Confident83.6Confident78 Ų7880.6 Ų80.636%0.36444%0.436SS..Hα-helixtrans-56.4-45.1173.4-74.8-173.2164.900111.3T21 K28 K29 R47T21-E25 WeakPolarHBondContact O-CG 3.26Å; T21-E25 PolarHBondContact O-N 2.9Å; E25-K28 PolarHBondContact O-N 2.98Å; E25-K29 WeakPolarHBondContact O-CB 3.36Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.37Å; E25-R47 IonicContact OE2-CZ 2.79Å; E25-R47 IonicContact OE2-NH1 3.65Å; E25-R47 PolarHBondContact OE2-NH1 3.33Å; E25-R47 IonicContact OE2-NH2 3.85Å
26H83.4Confident83.2Confident49 Ų4982.3 Ų82.323%0.22745%0.45CS..Hα-helixtrans-66.8-40.5179.5-167.5-64.7000111.9C22 R23 E24 K28 K29 H30 V35 F40C22-H26 WeakPolarHBondContact O-CB 3.46Å; C22-H26 PolarHBondContact O-N 3.25Å; R23-H26 PolarHBondContact O-N 2.89Å; E24-H26 VanDerWaalsContact C-N 3.28Å; E24-H26 PolarHBondContact O-N 3.12Å; H26-K28 VanDerWaalsContact C-N 3.3Å; H26-K28 PolarHBondContact O-N 3.36Å; H26-K29 PolarHBondContact O-N 2.97Å; H26-H30 AromaticContact CE1-CD2 3.5Å; H26-H30 AromaticContact CE1-CG 3.95Å; H26-H30 AromaticContact ND1-CD2 3.89Å; H26-H30 AromaticContact NE2-CD2 3.69Å; H26-H30 PolarHBondContact O-N 3.39Å; H26-V35 WeakPolarHBondContact CE1-CG1 3.32Å; H26-V35 WeakPolarHBondContact ND1-CG1 3.24Å; H26-F40 HydrophobicContact CB-CE2 4.13Å
27K84.6Confident82.4Confident167 Ų16786.5 Ų86.573%0.72646%0.461SS*.Hα-helixtrans-64.4-35.4177-168.5178.6179.5-175.60111.8R23 E24R23-K27 WeakPolarHBondContact O-CB 3.36Å; R23-K27 PolarHBondContact O-N 2.94Å; E24-K27 PolarHBondContact O-N 3.37Å
28K87.2Confident82.1Confident168 Ų16886.9 Ų86.973%0.7347%0.472SS*.Hα-helixtrans-70.3-41.2174.4-74.2177.6-179.3172.70112.8E24 E25 H26E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.39Å; E25-K28 PolarHBondContact O-N 2.98Å; H26-K28 VanDerWaalsContact C-N 3.3Å; H26-K28 PolarHBondContact O-N 3.36Å
29K83.3Confident81.7Confident153 Ų15391.5 Ų91.567%0.66549%0.494SS*.Hα-helixtrans-78.4-27.5-178-71.5177.6-179.8176.90113.5E25 H26 P31E25-K29 WeakPolarHBondContact O-CB 3.36Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.37Å; H26-K29 PolarHBondContact O-N 2.97Å; K29-P31 VanDerWaalsContact C-CD 3.49Å
30H78.8Confident81.5Confident90 Ų9091.2 Ų91.242%0.41749%0.491SS..SBendtrans-130.466.9179.7-58.1-70000110.6H26 G32 T33H26-H30 AromaticContact CE1-CD2 3.5Å; H26-H30 AromaticContact CE1-CG 3.95Å; H26-H30 AromaticContact ND1-CD2 3.89Å; H26-H30 AromaticContact NE2-CD2 3.69Å; H26-H30 PolarHBondContact O-N 3.39Å; H30-G32 PolarHBondContact O-N 2.9Å; H30-G32 VanDerWaalsContact O-N 3.13Å; H30-T33 PolarHBondContact O-N 2.97Å
31P80.2Confident81.3Confident107 Ų10791.5 Ų91.570%0.69549%0.49SS*.THydrogen-bonded Turntrans-63.9116.1174.427.6-31.8000108.8K29K29-P31 VanDerWaalsContact C-CD 3.49Å
32G72.4Confident81.3Confident86 Ų8695 Ų9589%0.88750%0.501SS*.THydrogen-bonded Turntrans101-11.7177.700000116H30H30-G32 PolarHBondContact O-N 2.9Å; H30-G32 VanDerWaalsContact O-N 3.13Å
33T72.7Confident81.3Confident90 Ų90101.8 Ų101.855%0.55253%0.53SS*.PPolyproline II helixtrans-83.7121.4172.8-49.10000110.3H30 V35H30-T33 PolarHBondContact O-N 2.97Å; T33-V35 PolarHBondContact O-N 3.34Å
34S67.2Low81.4Confident116 Ų11696.3 Ų96.381%0.81151%0.51SS*.PPolyproline II helixtrans-64.6119.9173.1-175.30000110
35V68.8Low81.4Confident64 Ų6492.3 Ų92.339%0.38850%0.495SS..PPolyproline II helixtrans-81.2121.7176.8-75.60000110.6H26 T33 F37H26-V35 WeakPolarHBondContact CE1-CG1 3.32Å; H26-V35 WeakPolarHBondContact ND1-CG1 3.24Å; T33-V35 PolarHBondContact O-N 3.34Å; V35-F37 PolarHBondContact O-N 3.05Å
36N82.6Confident81.5Confident104 Ų10493.1 Ų93.156%0.55650%0.499SS*.  trans-70112.8170.1-175.7-19.2000109.5A38 E39 F40N36-A38 VanDerWaalsContact C-N 3.29Å; N36-A38 PolarHBondContact O-N 2.77Å; N36-A38 PolarHBondContact OD1-N 3.27Å; N36-A38 VanDerWaalsContact OD1-N 3.15Å; N36-E39 HydrophobicContact CB-CB 4.27Å; N36-E39 HydrophobicContact CB-CG 4.35Å; N36-E39 PolarHBondContact O-N 3.18Å; N36-F40 WeakPolarHBondContact O-CB 3.33Å; N36-F40 PolarHBondContact O-N 2.88Å
37F75.5Confident81.7Confident129 Ų12995.7 Ų95.757%0.56651%0.507SS*.Hα-helixtrans-57.8-38.3-175.3179.5-107.3000113.3R23 V35 S41R23-F37 VanDerWaalsContact NH2-CD2 3.31Å; V35-F37 PolarHBondContact O-N 3.05Å; F37-S41 VanDerWaalsContact O-CB 3.28Å; F37-S41 WeakPolarHBondContact O-CB 3.48Å; F37-S41 PolarHBondContact O-N 3.06Å
38A84.4Confident81.9Confident52 Ų5289.6 Ų89.643%0.4348%0.479SS..Hα-helixtrans-66.8-45-178.500000111.5N36 K42N36-A38 VanDerWaalsContact C-N 3.29Å; N36-A38 PolarHBondContact O-N 2.77Å; N36-A38 PolarHBondContact OD1-N 3.27Å; N36-A38 VanDerWaalsContact OD1-N 3.15Å; A38-K42 WeakPolarHBondContact O-CG 3.26Å; A38-K42 PolarHBondContact O-N 3.41Å
39E84.1Confident81.8Confident102 Ų10289.4 Ų89.448%0.47748%0.479SS..Hα-helixtrans-70.3-39.9178.8-66.3-57.511600111.5N36 S41 K42 K43N36-E39 HydrophobicContact CB-CB 4.27Å; N36-E39 HydrophobicContact CB-CG 4.35Å; N36-E39 PolarHBondContact O-N 3.18Å; E39-S41 PolarHBondContact O-N 3.26Å; E39-K42 PolarHBondContact O-N 2.87Å; E39-K42 IonicContact OE1-NZ 2.81Å; E39-K42 PolarHBondContact OE1-NZ 3.11Å; E39-K43 WeakPolarHBondContact O-CB 3.38Å; E39-K43 PolarHBondContact O-N 3.23Å
40F84.4Confident81.8Confident21 Ų2189.7 Ų89.79%0.09248%0.48CS..Hα-helixtrans-64.3-41.5176.8-177.1-92.1000112.3V19 C22 R23 H26 N36 K43 C44V19-F40 HydrophobicContact CG1-CE1 4.14Å; C22-F40 HydrophobicContact CB-CE2 4.48Å; C22-F40 HydrophobicContact CB-CZ 3.79Å; R23-F40 HydrophobicContact CB-CE1 4.38Å; R23-F40 HydrophobicContact CB-CZ 4.12Å; R23-F40 HydrophobicContact CG-CD1 4.11Å; R23-F40 HydrophobicContact CG-CE1 3.2Å; R23-F40 HydrophobicContact CG-CE2 4.38Å; R23-F40 HydrophobicContact CG-CZ 3.38Å; H26-F40 HydrophobicContact CB-CE2 4.13Å; N36-F40 WeakPolarHBondContact O-CB 3.33Å; N36-F40 PolarHBondContact O-N 2.88Å; F40-K43 PolarHBondContact O-N 3.09Å; F40-C44 WeakPolarHBondContact CE1-SG 2.93Å; F40-C44 WeakPolarHBondContact CZ-SG 3.41Å; F40-C44 PolarHBondContact O-N 3.41Å; F40-C44 PolarHBondContact O-SG 2.94Å
41S85.3Confident81.7Confident51 Ų5189.8 Ų89.836%0.35749%0.487SS..Hα-helixtrans-63.6-43.5177.5-169.50000111.8F37 E39 C44 S45F37-S41 VanDerWaalsContact O-CB 3.28Å; F37-S41 WeakPolarHBondContact O-CB 3.48Å; F37-S41 PolarHBondContact O-N 3.06Å; E39-S41 PolarHBondContact O-N 3.26Å; S41-C44 PolarHBondContact O-N 2.94Å; S41-S45 WeakPolarHBondContact O-CB 3.02Å; S41-S45 PolarHBondContact O-N 3.2Å
42K88.5Confident81.6Confident120 Ų12085.6 Ų85.652%0.52246%0.458SS..Hα-helixtrans-58.2-51.1173.2-70.2173.1-168.51650110.9A38 E39 C44 S45 E46A38-K42 WeakPolarHBondContact O-CG 3.26Å; A38-K42 PolarHBondContact O-N 3.41Å; E39-K42 PolarHBondContact O-N 2.87Å; E39-K42 IonicContact OE1-NZ 2.81Å; E39-K42 PolarHBondContact OE1-NZ 3.11Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 2.82Å; K42-S45 PolarHBondContact O-N 2.87Å; K42-S45 VanDerWaalsContact O-N 3.09Å; K42-S45 PolarHBondContact O-OG 2.9Å; K42-E46 PolarHBondContact O-N 3.27Å
43K86.4Confident82.1Confident148 Ų14884.2 Ų84.264%0.64344%0.435SS*.Hα-helixtrans-60-39.9-179.3-167.2172-176174.30112.8E39 F40 R47E39-K43 WeakPolarHBondContact O-CB 3.38Å; E39-K43 PolarHBondContact O-N 3.23Å; F40-K43 PolarHBondContact O-N 3.09Å; K43-R47 WeakPolarHBondContact O-CB 3.44Å; K43-R47 PolarHBondContact O-N 3.44Å
44C87.3Confident82.5Confident4 Ų483.7 Ų83.73%0.02744%0.44CS..Hα-helixtrans-66.7-41.1174.7-690000112.2F18 V19 F40 S41 K42 E46 R47 W48F18-C44 HydrophobicContact CE1-CB 4.38Å; F18-C44 WeakPolarHBondContact CE1-O 3.2Å; V19-C44 HydrophobicContact CG2-CB 3.99Å; F40-C44 WeakPolarHBondContact CE1-SG 2.93Å; F40-C44 WeakPolarHBondContact CZ-SG 3.41Å; F40-C44 PolarHBondContact O-N 3.41Å; F40-C44 PolarHBondContact O-SG 2.94Å; S41-C44 PolarHBondContact O-N 2.94Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 2.82Å; C44-E46 VanDerWaalsContact C-N 3.33Å; C44-E46 PolarHBondContact O-N 3.4Å; C44-R47 PolarHBondContact O-N 3.04Å; C44-W48 WeakPolarHBondContact O-CB 3.46Å; C44-W48 PolarHBondContact O-N 3.23Å
45S86.9Confident83.2Confident39 Ų3986.9 Ų86.927%0.27344%0.439SS..Hα-helixtrans-65-39.5-179.976.50000111.9Y15 S41 K42 K49Y15-S45 VanDerWaalsContact OH-CA 3.26Å; Y15-S45 WeakPolarHBondContact OH-CA 3.46Å; Y15-S45 WeakPolarHBondContact OH-CB 3.27Å; Y15-S45 PolarHBondContact OH-N 3.47Å; S41-S45 WeakPolarHBondContact O-CB 3.02Å; S41-S45 PolarHBondContact O-N 3.2Å; K42-S45 PolarHBondContact O-N 2.87Å; K42-S45 VanDerWaalsContact O-N 3.09Å; K42-S45 PolarHBondContact O-OG 2.9Å; S45-K49 WeakPolarHBondContact O-CB 3.32Å; S45-K49 WeakPolarHBondContact O-CG 3.41Å; S45-K49 PolarHBondContact O-N 2.85Å; S45-K49 VanDerWaalsContact O-N 3.09Å
46E88.5Confident83.8Confident95 Ų9588.5 Ų88.544%0.44444%0.443SS..Hα-helixtrans-67.3-43.9174-68.4-164.4119.300111.2K42 C44 W48 K49 K50K42-E46 PolarHBondContact O-N 3.27Å; C44-E46 VanDerWaalsContact C-N 3.33Å; C44-E46 PolarHBondContact O-N 3.4Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 2.82Å; E46-K49 PolarHBondContact O-N 3.02Å; E46-K50 HydrophobicContact CB-CD 4.38Å; E46-K50 VanDerWaalsContact O-CB 3.24Å; E46-K50 WeakPolarHBondContact O-CB 3.34Å; E46-K50 PolarHBondContact O-N 3.41Å; E46-K50 IonicContact OE1-NZ 3.32Å; E46-K50 PolarHBondContact OE1-NZ 2.83Å
47R86.4Confident84.1Confident103 Ų10386.1 Ų86.139%0.38943%0.427SS..Iπ-helixtrans-61.4-41.6178.5-166.1178176-171.8-0.3111.5F18 E25 K43 C44 T51 M52F18-R47 HydrophobicContact CE1-CB 4.37Å; F18-R47 HydrophobicContact CZ-CB 3.92Å; F18-R47 HydrophobicContact CZ-CG 3.77Å; E25-R47 IonicContact OE2-CZ 2.79Å; E25-R47 IonicContact OE2-NH1 3.65Å; E25-R47 PolarHBondContact OE2-NH1 3.33Å; E25-R47 IonicContact OE2-NH2 3.85Å; K43-R47 WeakPolarHBondContact O-CB 3.44Å; K43-R47 PolarHBondContact O-N 3.44Å; C44-R47 PolarHBondContact O-N 3.04Å; R47-T51 VanDerWaalsContact CA-OG1 3.32Å; R47-T51 WeakPolarHBondContact CA-OG1 3.26Å; R47-T51 CarbonylContact O-C 3.54Å; R47-T51 WeakPolarHBondContact O-CA 3.29Å; R47-T51 WeakPolarHBondContact O-CB 3.12Å; R47-T51 PolarHBondContact O-N 3.49Å; R47-T51 PolarHBondContact O-OG1 3.47Å; R47-M52 WeakPolarHBondContact O-CG 3.49Å; R47-M52 PolarHBondContact O-N 3.25Å
48W88.7Confident84.8Confident39 Ų3983.4 Ų83.415%0.14842%0.421CS..Iπ-helixtrans-66.5-35.7176.6-177.1-100.6000114.1A14 Y15 F18 C44 E46 M52 K57 F60A14-W48 HydrophobicContact CB-CH2 3.88Å; A14-W48 HydrophobicContact CB-CZ2 4.19Å; Y15-W48 HydrophobicContact CD2-CB 3.67Å; Y15-W48 AromaticContact CD2-CD1 3.69Å; Y15-W48 AromaticContact CD2-CD2 3.57Å; Y15-W48 HydrophobicContact CD2-CD2 3.57Å; Y15-W48 HydrophobicContact CD2-CE3 4.1Å; Y15-W48 AromaticContact CD2-CG 3.35Å; Y15-W48 HydrophobicContact CD2-CG 3.35Å; Y15-W48 HydrophobicContact CE2-CB 3.53Å; Y15-W48 HydrophobicContact CE2-CD2 4.37Å; Y15-W48 AromaticContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CG-CD2 4.46Å; Y15-W48 HydrophobicContact CG-CG 4.42Å; F18-W48 HydrophobicContact CB-CE3 3.57Å; F18-W48 HydrophobicContact CB-CH2 4.47Å; F18-W48 HydrophobicContact CB-CZ3 3.44Å; F18-W48 VanDerWaalsContact CB-CZ3 3.44Å; F18-W48 HydrophobicContact CD1-CB 4.12Å; F18-W48 HydrophobicContact CD1-CD2 4.28Å; F18-W48 AromaticContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CZ3 4.31Å; F18-W48 AromaticContact CD2-CE3 3.83Å; F18-W48 HydrophobicContact CD2-CE3 3.83Å; F18-W48 HydrophobicContact CD2-CZ3 4.08Å; F18-W48 HydrophobicContact CE1-CB 3.87Å; F18-W48 HydrophobicContact CE1-CE3 4.14Å; F18-W48 HydrophobicContact CE2-CE3 4.4Å; F18-W48 HydrophobicContact CG-CD2 4.46Å; F18-W48 AromaticContact CG-CE3 3.34Å; F18-W48 HydrophobicContact CG-CE3 3.34Å; F18-W48 AromaticContact CG-CZ3 3.69Å; F18-W48 HydrophobicContact CG-CZ3 3.69Å; C44-W48 WeakPolarHBondContact O-CB 3.46Å; C44-W48 PolarHBondContact O-N 3.23Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 2.82Å; W48-M52 HydrophobicContact CD2-CG 4.48Å; W48-M52 HydrophobicContact CE3-CB 4.43Å; W48-M52 HydrophobicContact CE3-CE 4.3Å; W48-M52 HydrophobicContact CE3-CG 3.86Å; W48-M52 HydrophobicContact CZ3-CE 4.04Å; W48-M52 WeakPolarHBondContact O-CB 3.43Å; W48-K57 HydrophobicContact CH2-CB 4.41Å; W48-K57 HydrophobicContact CH2-CG 4Å; W48-K57 HydrophobicContact CZ2-CD 4.34Å; W48-K57 HydrophobicContact CZ2-CG 4.19Å; W48-K57 HydrophobicContact CZ3-CG 4.26Å; W48-K57 WeakPolarHBondContact O-CE 3.47Å; W48-K57 PolarHBondContact O-NZ 3.45Å; W48-F60 HydrophobicContact CH2-CB 3.94Å; W48-F60 HydrophobicContact CH2-CD2 4.47Å; W48-F60 HydrophobicContact CH2-CG 4.43Å; W48-F60 HydrophobicContact CZ3-CB 4.11Å; W48-F60 AromaticContact CZ3-CD2 3.88Å; W48-F60 HydrophobicContact CZ3-CD2 3.88Å; W48-F60 HydrophobicContact CZ3-CG 4.1Å
49K86.3Confident85.1Confident165 Ų16587.5 Ų87.572%0.71743%0.429SS*.Iπ-helixtrans-85-40.7-179.1-71.4-179.9-179.9-177.70112.9S45 E46S45-K49 WeakPolarHBondContact O-CB 3.32Å; S45-K49 WeakPolarHBondContact O-CG 3.41Å; S45-K49 PolarHBondContact O-N 2.85Å; S45-K49 VanDerWaalsContact O-N 3.09Å; E46-K49 PolarHBondContact O-N 3.02Å
50K81.9Confident85.5Confident158 Ų15883.7 Ų83.769%0.68741%0.411SS*.Iπ-helixtrans-97.2-36.4-171.2-63.4175.5176.3168.90113.4E46E46-K50 HydrophobicContact CB-CD 4.38Å; E46-K50 VanDerWaalsContact O-CB 3.24Å; E46-K50 WeakPolarHBondContact O-CB 3.34Å; E46-K50 PolarHBondContact O-N 3.41Å; E46-K50 IonicContact OE1-NZ 3.32Å; E46-K50 PolarHBondContact OE1-NZ 2.83Å
51T76.5Confident85.9Confident93 Ų9386 Ų8657%0.57143%0.425SS*.Iπ-helixtrans-109.1-26.5-166.5-20.50000113.2R47 S53R47-T51 VanDerWaalsContact CA-OG1 3.32Å; R47-T51 WeakPolarHBondContact CA-OG1 3.26Å; R47-T51 CarbonylContact O-C 3.54Å; R47-T51 WeakPolarHBondContact O-CA 3.29Å; R47-T51 WeakPolarHBondContact O-CB 3.12Å; R47-T51 PolarHBondContact O-N 3.49Å; R47-T51 PolarHBondContact O-OG1 3.47Å; T51-S53 PolarHBondContact O-N 2.96Å
52M78.1Confident86.3Confident18 Ų1888.8 Ų88.89%0.08943%0.432CS..  trans-76107.2177.2-72.9-65.1-59.400110.3F18 R47 W48 E56 K57 F60F18-M52 HydrophobicContact CD2-CE 4.28Å; F18-M52 HydrophobicContact CD2-CG 4.28Å; F18-M52 HydrophobicContact CD2-SD 3.86Å; F18-M52 HydrophobicContact CE2-CE 4.41Å; F18-M52 HydrophobicContact CE2-CG 3.75Å; F18-M52 HydrophobicContact CE2-SD 3.41Å; F18-M52 WeakPolarHBondContact CE2-SD 3.35Å; F18-M52 HydrophobicContact CZ-CG 4Å; F18-M52 HydrophobicContact CZ-SD 4.21Å; R47-M52 WeakPolarHBondContact O-CG 3.49Å; R47-M52 PolarHBondContact O-N 3.25Å; W48-M52 HydrophobicContact CD2-CG 4.48Å; W48-M52 HydrophobicContact CE3-CB 4.43Å; W48-M52 HydrophobicContact CE3-CE 4.3Å; W48-M52 HydrophobicContact CE3-CG 3.86Å; W48-M52 HydrophobicContact CZ3-CE 4.04Å; W48-M52 WeakPolarHBondContact O-CB 3.43Å; M52-E56 HydrophobicContact CE-CB 3.31Å; M52-E56 WeakPolarHBondContact CE-O 3.45Å; M52-E56 HydrophobicContact SD-CB 4.06Å; M52-K57 HydrophobicContact CB-CD 4.36Å; M52-K57 VanDerWaalsContact CB-CE 3.45Å; M52-K57 HydrophobicContact CB-CG 3.96Å; M52-K57 HydrophobicContact CE-CG 4.02Å; M52-K57 VanDerWaalsContact O-CE 3.26Å; M52-K57 WeakPolarHBondContact O-CE 3.38Å; M52-K57 PolarHBondContact O-NZ 3.26Å; M52-F60 HydrophobicContact CE-CD2 3.65Å; M52-F60 HydrophobicContact CE-CE2 3.63Å; M52-F60 HydrophobicContact SD-CE2 4.47Å
53S82.8Confident86.4Confident57 Ų5785.9 Ų85.940%0.39942%0.421SS..  trans-68.3158.4170.865.90000110.8T51 K55 E56 K57T51-S53 PolarHBondContact O-N 2.96Å; S53-K55 PolarHBondContact O-N 2.87Å; S53-K55 VanDerWaalsContact O-N 3.16Å; S53-E56 PolarHBondContact N-OE2 3.23Å; S53-E56 PolarHBondContact O-N 3.38Å; S53-E56 VanDerWaalsContact O-N 3.1Å; S53-E56 WeakPolarHBondContact OG-CG 3.45Å; S53-E56 PolarHBondContact OG-OE2 2.85Å; S53-K57 PolarHBondContact O-N 3.44Å; S53-K57 VanDerWaalsContact O-N 3.08Å
54A81.5Confident86.8Confident79 Ų7979.9 Ų79.965%0.65340%0.399SS*.Hα-helixtrans-53.1-38.8178.100000111.8E56 K57 V58A54-E56 PolarHBondContact O-N 2.97Å; A54-K57 PolarHBondContact O-N 3.22Å; A54-V58 VanDerWaalsContact O-CG2 3.31Å; A54-V58 WeakPolarHBondContact O-CG2 3.47Å; A54-V58 PolarHBondContact O-N 2.94Å; A54-V58 VanDerWaalsContact O-N 3.08Å
55K81.4Confident87.2Confident184 Ų18486.3 Ų86.380%0.843%0.426SS*.Hα-helixtrans-62.4-39.9179.1-66-179.4-179.8173.90113.2S53S53-K55 PolarHBondContact O-N 2.87Å; S53-K55 VanDerWaalsContact O-N 3.16Å
56E82.5Confident87.5Confident98 Ų9890.1 Ų90.146%0.45844%0.443SS..Hα-helixtrans-76.8-28.9178.3-64.5166.1112.500111.7M52 S53 A54 F60M52-E56 HydrophobicContact CE-CB 3.31Å; M52-E56 WeakPolarHBondContact CE-O 3.45Å; M52-E56 HydrophobicContact SD-CB 4.06Å; S53-E56 PolarHBondContact N-OE2 3.23Å; S53-E56 PolarHBondContact O-N 3.38Å; S53-E56 VanDerWaalsContact O-N 3.1Å; S53-E56 WeakPolarHBondContact OG-CG 3.45Å; S53-E56 PolarHBondContact OG-OE2 2.85Å; A54-E56 PolarHBondContact O-N 2.97Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.24Å
57K88Confident87.7Confident53 Ų5386.1 Ų86.123%0.2343%0.425CS..Hα-helixtrans-67-36.2174-69.6178.2178.5167.20112W48 M52 S53 A54 K59 F60 D61W48-K57 HydrophobicContact CH2-CB 4.41Å; W48-K57 HydrophobicContact CH2-CG 4Å; W48-K57 HydrophobicContact CZ2-CD 4.34Å; W48-K57 HydrophobicContact CZ2-CG 4.19Å; W48-K57 HydrophobicContact CZ3-CG 4.26Å; W48-K57 WeakPolarHBondContact O-CE 3.47Å; W48-K57 PolarHBondContact O-NZ 3.45Å; M52-K57 HydrophobicContact CB-CD 4.36Å; M52-K57 VanDerWaalsContact CB-CE 3.45Å; M52-K57 HydrophobicContact CB-CG 3.96Å; M52-K57 HydrophobicContact CE-CG 4.02Å; M52-K57 VanDerWaalsContact O-CE 3.26Å; M52-K57 WeakPolarHBondContact O-CE 3.38Å; M52-K57 PolarHBondContact O-NZ 3.26Å; S53-K57 PolarHBondContact O-N 3.44Å; S53-K57 VanDerWaalsContact O-N 3.08Å; A54-K57 PolarHBondContact O-N 3.22Å; K57-K59 PolarHBondContact O-N 3.46Å; K57-K59 VanDerWaalsContact O-N 3.16Å; K57-F60 CarbonylContact O-C 3.6Å; K57-F60 WeakPolarHBondContact O-CA 3.49Å; K57-F60 PolarHBondContact O-N 2.92Å; K57-D61 PolarHBondContact O-N 2.78Å
58V91.8Very high88Confident72 Ų7286.7 Ų86.744%0.43643%0.43SS..Hα-helixtrans-49.8-45.4177.1178.80000111.6A54 F60 D61 E62A54-V58 VanDerWaalsContact O-CG2 3.31Å; A54-V58 WeakPolarHBondContact O-CG2 3.47Å; A54-V58 PolarHBondContact O-N 2.94Å; A54-V58 VanDerWaalsContact O-N 3.08Å; V58-F60 VanDerWaalsContact C-N 3.3Å; V58-F60 PolarHBondContact O-N 3.07Å; V58-D61 PolarHBondContact O-N 3.03Å; V58-E62 HydrophobicContact CG1-CG 4.33Å; V58-E62 WeakPolarHBondContact O-CG 3.39Å; V58-E62 PolarHBondContact O-N 3.03Å
59K90.6Very high88.2Confident139 Ų13989.3 Ų89.360%0.60445%0.451SS*.Hα-helixtrans-59.3-39.6178.6-177.6179.3178.8174.30112.7K57 M63K57-K59 PolarHBondContact O-N 3.46Å; K57-K59 VanDerWaalsContact O-N 3.16Å; K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.74Å; K59-M63 WeakPolarHBondContact O-CE 3.49Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.47Å
60F92.3Very high88.6Confident22 Ų2284.5 Ų84.510%0.09643%0.428CS..Hα-helixtrans-78.2-32177.9-67.4-71.1000112.5A14 F17 F18 T21 W48 M52 E56 K57 V58 M63 A64A14-F60 WeakPolarHBondContact CA-O 3.34Å; A14-F60 HydrophobicContact CB-CB 3.9Å; A14-F60 WeakPolarHBondContact CB-O 3.29Å; F17-F60 HydrophobicContact CB-CD1 3.88Å; F18-F60 HydrophobicContact CB-CD1 3.98Å; F18-F60 HydrophobicContact CB-CD2 4.28Å; F18-F60 HydrophobicContact CB-CE1 3.96Å; F18-F60 HydrophobicContact CB-CE2 4.27Å; F18-F60 HydrophobicContact CB-CG 4.14Å; F18-F60 HydrophobicContact CB-CZ 4.12Å; F18-F60 HydrophobicContact CD2-CD2 4.33Å; F18-F60 HydrophobicContact CD2-CE1 4.48Å; F18-F60 AromaticContact CD2-CE2 3.72Å; F18-F60 HydrophobicContact CD2-CE2 3.72Å; F18-F60 AromaticContact CD2-CZ 3.8Å; F18-F60 HydrophobicContact CD2-CZ 3.8Å; F18-F60 HydrophobicContact CG-CE2 4.49Å; F18-F60 HydrophobicContact CG-CZ 4.47Å; T21-F60 HydrophobicContact CG2-CE1 3.84Å; T21-F60 HydrophobicContact CG2-CZ 4.33Å; W48-F60 HydrophobicContact CH2-CB 3.94Å; W48-F60 HydrophobicContact CH2-CD2 4.47Å; W48-F60 HydrophobicContact CH2-CG 4.43Å; W48-F60 HydrophobicContact CZ3-CB 4.11Å; W48-F60 AromaticContact CZ3-CD2 3.88Å; W48-F60 HydrophobicContact CZ3-CD2 3.88Å; W48-F60 HydrophobicContact CZ3-CG 4.1Å; M52-F60 HydrophobicContact CE-CD2 3.65Å; M52-F60 HydrophobicContact CE-CE2 3.63Å; M52-F60 HydrophobicContact SD-CE2 4.47Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.24Å; K57-F60 CarbonylContact O-C 3.6Å; K57-F60 WeakPolarHBondContact O-CA 3.49Å; K57-F60 PolarHBondContact O-N 2.92Å; V58-F60 VanDerWaalsContact C-N 3.3Å; V58-F60 PolarHBondContact O-N 3.07Å; F60-M63 HydrophobicContact CD1-CE 3.51Å; F60-M63 HydrophobicContact CE1-CE 3.72Å; F60-M63 HydrophobicContact CG-CE 4.25Å; F60-M63 PolarHBondContact O-N 3.42Å; F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.06Å
61D91.8Very high89.1Confident70 Ų7079.1 Ų79.137%0.37440%0.404SS..Hα-helixtrans-66.9-40.3173.7-66.3-36.8000111A14 K57 V58 A64 K65A14-D61 WeakPolarHBondContact CB-OD1 3.45Å; K57-D61 PolarHBondContact O-N 2.78Å; V58-D61 PolarHBondContact O-N 3.03Å; D61-A64 PolarHBondContact O-N 3.16Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.35Å; D61-K65 PolarHBondContact O-N 3.46Å
62E93.6Very high89.8Confident109 Ų10977.9 Ų77.951%0.50939%0.393SS..Hα-helixtrans-62.7-44.5171.4-74.8177.2176.400112V58 A64 K65 N66V58-E62 HydrophobicContact CG1-CG 4.33Å; V58-E62 WeakPolarHBondContact O-CG 3.39Å; V58-E62 PolarHBondContact O-N 3.03Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-N66 PolarHBondContact O-N 2.77Å
63M92.3Very high90.4Very high59 Ų5986.7 Ų86.729%0.29143%0.426SS..Hα-helixtrans-59-40.9173.1-78.3-172.8-102.400112.1F17 K59 F60 N66 D67F17-M63 HydrophobicContact CB-SD 4.49Å; F17-M63 HydrophobicContact CD1-SD 4.43Å; F17-M63 HydrophobicContact CD2-CB 3.89Å; F17-M63 HydrophobicContact CE2-CB 4.14Å; F17-M63 WeakPolarHBondContact CE2-O 3.43Å; F17-M63 HydrophobicContact CG-CB 4.15Å; F17-M63 HydrophobicContact CG-SD 4.45Å; K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.74Å; K59-M63 WeakPolarHBondContact O-CE 3.49Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.47Å; F60-M63 HydrophobicContact CD1-CE 3.51Å; F60-M63 HydrophobicContact CE1-CE 3.72Å; F60-M63 HydrophobicContact CG-CE 4.25Å; F60-M63 PolarHBondContact O-N 3.42Å; M63-N66 PolarHBondContact O-N 3.22Å; M63-D67 PolarHBondContact O-N 3.36Å
64A94.3Very high90.8Very high21 Ų2187.2 Ų87.217%0.17442%0.422CS..Hα-helixtrans-66.5-38.5176.600000112.5A14 F60 D61 E62 D67 K68A14-A64 HydrophobicContact CB-CB 4.05Å; F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.06Å; D61-A64 PolarHBondContact O-N 3.16Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 2.93Å; A64-D67 PolarHBondContact O-N 3.23Å; A64-K68 PolarHBondContact O-N 3.25Å
65K94.4Very high91.2Very high139 Ų13986.3 Ų86.360%0.60441%0.405SS*.Hα-helixtrans-62.5-45.3173.2-72.9171.3-175.9177.50111.1D61 E62 D67 K68 V69D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.35Å; D61-K65 PolarHBondContact O-N 3.46Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.43Å; K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.44Å; K65-K68 WeakPolarHBondContact O-CB 3.36Å; K65-K68 PolarHBondContact O-N 3.28Å; K65-V69 PolarHBondContact O-N 2.98Å
66N93.4Very high91.5Very high119 Ų11986.9 Ų86.964%0.63641%0.407SS*.Hα-helixtrans-65.1-37.6176.9-73.87.9000112E62 M63 K68 V69 R70E62-N66 PolarHBondContact O-N 2.77Å; M63-N66 PolarHBondContact O-N 3.22Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-V69 PolarHBondContact O-N 3.11Å; N66-R70 PolarHBondContact O-N 3.37Å
67D92.9Very high91.8Very high11 Ų1186.7 Ų86.76%0.05942%0.417CS..Hα-helixtrans-69.2-30.7175.1-163.875000112.6K11 T12 F17 M63 A64 K65 R70 Y71K11-D67 WeakPolarHBondContact CA-OD2 3.49Å; T12-D67 WeakPolarHBondContact CB-OD2 3.44Å; T12-D67 PolarHBondContact N-OD2 3.01Å; T12-D67 PolarHBondContact OG1-OD2 3.37Å; F17-D67 HydrophobicContact CE2-CB 3.71Å; F17-D67 HydrophobicContact CZ-CB 3.72Å; M63-D67 PolarHBondContact O-N 3.36Å; A64-D67 PolarHBondContact O-N 3.23Å; K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.44Å; D67-R70 PolarHBondContact O-N 2.85Å; D67-R70 IonicContact OD1-CZ 2.75Å; D67-R70 IonicContact OD1-NE 3.95Å; D67-R70 PolarHBondContact OD1-NE 3.47Å; D67-R70 IonicContact OD1-NH2 3.15Å; D67-R70 PolarHBondContact OD1-NH2 3.08Å; D67-R70 VanDerWaalsContact OD1-NH2 3.07Å; D67-R70 IonicContact OD2-NH2 2.65Å; D67-R70 PolarHBondContact OD2-NH2 3.16Å; D67-R70 VanDerWaalsContact OD2-NH2 3.15Å; D67-Y71 WeakPolarHBondContact O-CB 3.29Å; D67-Y71 PolarHBondContact O-N 3.23Å
68K92.9Very high91.8Very high115 Ų11585.8 Ų85.850%0.541%0.412SS..Hα-helixtrans-60.4-50.4169.3-180-176.2-179.7-163.60110.3K11 A64 K65 N66 R70 Y71 D72K11-K68 HydrophobicContact CD-CB 4.04Å; K11-K68 HydrophobicContact CD-CG 3.76Å; A64-K68 PolarHBondContact O-N 3.25Å; K65-K68 WeakPolarHBondContact O-CB 3.36Å; K65-K68 PolarHBondContact O-N 3.28Å; N66-K68 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.65Å; K68-Y71 PolarHBondContact O-N 3.08Å; K68-D72 WeakPolarHBondContact CG-OD2 3.42Å; K68-D72 WeakPolarHBondContact O-CB 3.15Å; K68-D72 PolarHBondContact O-N 3.16Å
69V93.6Very high91.4Very high95 Ų9588.3 Ų88.358%0.57643%0.427SS*.Hα-helixtrans-60.9-43.9177.9176.70000111.6K65 N66 Y71 D72 R73K65-V69 PolarHBondContact O-N 2.98Å; N66-V69 PolarHBondContact O-N 3.11Å; V69-Y71 PolarHBondContact O-N 3.45Å; V69-D72 PolarHBondContact O-N 2.95Å; V69-R73 WeakPolarHBondContact O-CB 3.46Å; V69-R73 PolarHBondContact O-N 2.81Å
70R94.4Very high90.9Very high64 Ų6484.4 Ų84.424%0.24242%0.417CS..Hα-helixtrans-55.5-52173.8179.1-16162.974.49.5111R9 N66 D67 K68 R73 E74R9-R70 PolarHBondContact O-NH2 3.13Å; N66-R70 PolarHBondContact O-N 3.37Å; D67-R70 PolarHBondContact O-N 2.85Å; D67-R70 IonicContact OD1-CZ 2.75Å; D67-R70 IonicContact OD1-NE 3.95Å; D67-R70 PolarHBondContact OD1-NE 3.47Å; D67-R70 IonicContact OD1-NH2 3.15Å; D67-R70 PolarHBondContact OD1-NH2 3.08Å; D67-R70 VanDerWaalsContact OD1-NH2 3.07Å; D67-R70 IonicContact OD2-NH2 2.65Å; D67-R70 PolarHBondContact OD2-NH2 3.16Å; D67-R70 VanDerWaalsContact OD2-NH2 3.15Å; K68-R70 PolarHBondContact O-N 2.65Å; R70-R73 PolarHBondContact O-N 2.98Å; R70-E74 WeakPolarHBondContact CD-OE1 3.2Å; R70-E74 HydrophobicContact CG-CG 4.49Å; R70-E74 VanDerWaalsContact CG-OE1 3.23Å; R70-E74 WeakPolarHBondContact CG-OE1 3.4Å; R70-E74 IonicContact CZ-OE1 3.99Å; R70-E74 IonicContact CZ-OE2 2.72Å; R70-E74 IonicContact NE-OE1 2.81Å; R70-E74 IonicContact NH1-OE1 3.76Å; R70-E74 PolarHBondContact NH1-OE1 3.32Å; R70-E74 IonicContact NH1-OE2 2.77Å; R70-E74 PolarHBondContact NH1-OE2 3Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 WeakPolarHBondContact O-CG 3.45Å; R70-E74 PolarHBondContact O-N 3.22Å
71Y92.6Very high90.3Very high45 Ų4586.6 Ų86.618%0.17643%0.433CS..Hα-helixtrans-62.6-44.6-178.9175.1-98.3000112P8 R9 K11 D67 K68 V69 R73 E74 M75P8-Y71 HydrophobicContact CB-CD2 4.18Å; P8-Y71 HydrophobicContact CB-CE2 4.23Å; R9-Y71 WeakPolarHBondContact O-CD2 3.12Å; K11-Y71 HydrophobicContact CD-CD1 3.55Å; K11-Y71 HydrophobicContact CD-CE1 4.23Å; K11-Y71 HydrophobicContact CD-CG 4.06Å; K11-Y71 VanDerWaalsContact CG-CB 3.48Å; K11-Y71 HydrophobicContact CG-CD1 3.38Å; K11-Y71 HydrophobicContact CG-CD2 4.2Å; K11-Y71 HydrophobicContact CG-CE1 4.12Å; K11-Y71 HydrophobicContact CG-CG 3.4Å; K11-Y71 VanDerWaalsContact CG-CG 3.4Å; D67-Y71 WeakPolarHBondContact O-CB 3.29Å; D67-Y71 PolarHBondContact O-N 3.23Å; K68-Y71 PolarHBondContact O-N 3.08Å; V69-Y71 PolarHBondContact O-N 3.45Å; Y71-R73 VanDerWaalsContact C-N 3.32Å; Y71-R73 PolarHBondContact O-N 3.1Å; Y71-E74 PolarHBondContact O-N 3.39Å; Y71-M75 HydrophobicContact CD1-CG 3.93Å; Y71-M75 HydrophobicContact CD2-CG 4.01Å; Y71-M75 HydrophobicContact CE1-CG 3.53Å; Y71-M75 HydrophobicContact CE1-SD 4.48Å; Y71-M75 HydrophobicContact CE2-CG 3.62Å; Y71-M75 HydrophobicContact CE2-SD 3.92Å; Y71-M75 HydrophobicContact CG-CG 4.19Å; Y71-M75 VanDerWaalsContact O-CB 3.23Å; Y71-M75 WeakPolarHBondContact O-CB 3.45Å; Y71-M75 VanDerWaalsContact O-CG 3.23Å; Y71-M75 WeakPolarHBondContact O-CG 3.04Å; Y71-M75 PolarHBondContact O-N 3.49Å
72D89.9Confident89.3Confident66 Ų6694.1 Ų94.135%0.35346%0.462SS..Hα-helixtrans-65.3-39.1-178.9-62.8-17.7000110.1K11 K68 V69 M75 K76K11-D72 IonicContact NZ-OD1 3.98Å; K11-D72 PolarHBondContact NZ-OD1 3.2Å; K11-D72 IonicContact NZ-OD2 3.07Å; K68-D72 WeakPolarHBondContact CG-OD2 3.42Å; K68-D72 WeakPolarHBondContact O-CB 3.15Å; K68-D72 PolarHBondContact O-N 3.16Å; V69-D72 PolarHBondContact O-N 2.95Å; D72-M75 PolarHBondContact O-N 3.15Å; D72-K76 PolarHBondContact O-N 2.7Å
73R92.6Very high87.9Confident204 Ų20492.7 Ų92.777%0.7748%0.477SS*.Hα-helixtrans-63.6-48.1172.7-178-179.4175.7-1770.1112.8V69 R70 Y71 M75 K76 S77V69-R73 WeakPolarHBondContact O-CB 3.46Å; V69-R73 PolarHBondContact O-N 2.81Å; R70-R73 PolarHBondContact O-N 2.98Å; Y71-R73 VanDerWaalsContact C-N 3.32Å; Y71-R73 PolarHBondContact O-N 3.1Å; R73-M75 VanDerWaalsContact C-N 3.3Å; R73-M75 PolarHBondContact O-N 3.07Å; R73-K76 PolarHBondContact O-N 2.75Å; R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.47Å
74E91.2Very high86.5Confident67 Ų6792.2 Ų92.231%0.31348%0.482SS..Hα-helixtrans-63.9-38178.1-74.7175.5-160.800111.5P8 R70 Y71 S77 Y78P8-E74 HydrophobicContact CB-CB 3.72Å; P8-E74 WeakPolarHBondContact CB-OE2 3.11Å; P8-E74 HydrophobicContact CG-CB 3.73Å; R70-E74 WeakPolarHBondContact CD-OE1 3.2Å; R70-E74 HydrophobicContact CG-CG 4.49Å; R70-E74 VanDerWaalsContact CG-OE1 3.23Å; R70-E74 WeakPolarHBondContact CG-OE1 3.4Å; R70-E74 IonicContact CZ-OE1 3.99Å; R70-E74 IonicContact CZ-OE2 2.72Å; R70-E74 IonicContact NE-OE1 2.81Å; R70-E74 IonicContact NH1-OE1 3.76Å; R70-E74 PolarHBondContact NH1-OE1 3.32Å; R70-E74 IonicContact NH1-OE2 2.77Å; R70-E74 PolarHBondContact NH1-OE2 3Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 WeakPolarHBondContact O-CG 3.45Å; R70-E74 PolarHBondContact O-N 3.22Å; Y71-E74 PolarHBondContact O-N 3.39Å; E74-S77 PolarHBondContact O-N 3.15Å; E74-S77 PolarHBondContact O-OG 3.38Å; E74-Y78 VanDerWaalsContact O-CB 3.31Å; E74-Y78 WeakPolarHBondContact O-CB 3.39Å; E74-Y78 PolarHBondContact O-N 2.91Å
75M88.9Confident85Confident60 Ų6099.9 Ų99.930%0.29651%0.512SS..Hα-helixtrans-66.4-36.6175.9-79.2-61.9-52.600112.3P8 Y71 D72 R73 S77 Y78P8-M75 HydrophobicContact CB-CG 4.21Å; P8-M75 HydrophobicContact CB-SD 3.97Å; P8-M75 HydrophobicContact CG-CG 4.24Å; P8-M75 HydrophobicContact CG-SD 3.78Å; Y71-M75 HydrophobicContact CD1-CG 3.93Å; Y71-M75 HydrophobicContact CD2-CG 4.01Å; Y71-M75 HydrophobicContact CE1-CG 3.53Å; Y71-M75 HydrophobicContact CE1-SD 4.48Å; Y71-M75 HydrophobicContact CE2-CG 3.62Å; Y71-M75 HydrophobicContact CE2-SD 3.92Å; Y71-M75 HydrophobicContact CG-CG 4.19Å; Y71-M75 VanDerWaalsContact O-CB 3.23Å; Y71-M75 WeakPolarHBondContact O-CB 3.45Å; Y71-M75 VanDerWaalsContact O-CG 3.23Å; Y71-M75 WeakPolarHBondContact O-CG 3.04Å; Y71-M75 PolarHBondContact O-N 3.49Å; D72-M75 PolarHBondContact O-N 3.15Å; R73-M75 VanDerWaalsContact C-N 3.3Å; R73-M75 PolarHBondContact O-N 3.07Å; M75-S77 VanDerWaalsContact C-N 3.29Å; M75-S77 PolarHBondContact O-N 3.19Å; M75-Y78 HydrophobicContact CE-CD1 4.04Å; M75-Y78 PolarHBondContact O-N 2.93Å; M75-Y78 VanDerWaalsContact O-N 3.13Å; M75-Y78 HydrophobicContact SD-CD1 4.17Å
76K88.6Confident83.5Confident196 Ų196102.8 Ų102.885%0.85252%0.524SS*.Hα-helixtrans-62.1-37174.4-172.9170-177.3171.60112.2D72 R73 Y78D72-K76 PolarHBondContact O-N 2.7Å; R73-K76 PolarHBondContact O-N 2.75Å; K76-Y78 VanDerWaalsContact C-N 3.35Å
77S88.7Confident81.7Confident95 Ų9599.9 Ų99.966%0.66452%0.522SS*.THydrogen-bonded Turntrans-83.8-7.4174.9560000114.3R73 E74 M75 V79R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.47Å; E74-S77 PolarHBondContact O-N 3.15Å; E74-S77 PolarHBondContact O-OG 3.38Å; M75-S77 VanDerWaalsContact C-N 3.29Å; M75-S77 PolarHBondContact O-N 3.19Å; S77-V79 PolarHBondContact O-N 3.39Å
78Y87.1Confident80.3Confident34 Ų34109.2 Ų109.213%0.13356%0.563CS.*  trans-88113-173.9171-108.6000110.9D4 N6 K7 P8 E74 M75 K76 P80D4-Y78 PolarHBondContact OD2-OH 3.19Å; N6-Y78 HydrophobicContact CB-CE2 4.32Å; N6-Y78 VanDerWaalsContact O-CD2 3.25Å; N6-Y78 WeakPolarHBondContact O-CD2 3.4Å; N6-Y78 WeakPolarHBondContact O-CE2 3.45Å; K7-Y78 VanDerWaalsContact CA-CE2 3.45Å; K7-Y78 HydrophobicContact CB-CE2 4.07Å; K7-Y78 HydrophobicContact CG-CE1 4.31Å; P8-Y78 VanDerWaalsContact CD-CD2 3.47Å; P8-Y78 HydrophobicContact CG-CD2 4.39Å; P8-Y78 HydrophobicContact CG-CG 4.01Å; E74-Y78 VanDerWaalsContact O-CB 3.31Å; E74-Y78 WeakPolarHBondContact O-CB 3.39Å; E74-Y78 PolarHBondContact O-N 2.91Å; M75-Y78 HydrophobicContact CE-CD1 4.04Å; M75-Y78 PolarHBondContact O-N 2.93Å; M75-Y78 VanDerWaalsContact O-N 3.13Å; M75-Y78 HydrophobicContact SD-CD1 4.17Å; K76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-P80 HydrophobicContact CE1-CB 3.7Å; Y78-P80 HydrophobicContact CE1-CG 4.28Å; Y78-P80 VanDerWaalsContact O-CD 3.26Å; Y78-P80 WeakPolarHBondContact O-CD 3.49Å
79V82.5Confident79.1Confident124 Ų124112.7 Ų112.775%0.75258%0.577SS**  trans-93.1107.3170.1-176.50000108.5S77S77-V79 PolarHBondContact O-N 3.39Å
80P81.3Confident77.8Confident58 Ų58118 Ų11838%0.37759%0.593SS.*  trans-63137.317622.1-29.4000110.4Y78 A84Y78-P80 HydrophobicContact CE1-CB 3.7Å; Y78-P80 HydrophobicContact CE1-CG 4.28Å; Y78-P80 VanDerWaalsContact O-CD 3.26Å; Y78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-A84 HydrophobicContact CB-CB 4.26Å
81P79.4Confident76.8Confident68 Ų68121.7 Ų121.744%0.44261%0.611SS.*  trans-59.3146.4178.311.3-16.7000110.7D4 G83 A84D4-P81 WeakPolarHBondContact OD2-CD 3.37Å; D4-P81 WeakPolarHBondContact OD2-CG 3.47Å; P81-G83 PolarHBondContact O-N 3.09Å; P81-A84 HydrophobicContact CB-CB 4.5Å; P81-A84 HydrophobicContact CG-CB 3.8Å; P81-A84 VanDerWaalsContact O-CB 3.22Å; P81-A84 WeakPolarHBondContact O-CB 3.2Å; P81-A84 PolarHBondContact O-N 3.37Å
82K70Confident75.9Confident227 Ų227122.1 Ų122.199%0.98762%0.616SS**THydrogen-bonded Turntrans-51.9115177.6-74.5-177.2178.3177.40109.2
83G65.8Low75.4Confident79 Ų79125 Ų12581%0.81464%0.638SS**THydrogen-bonded Turntrans98.8-3.3-176.400000116.5P81 K85P81-G83 PolarHBondContact O-N 3.09Å; G83-K85 VanDerWaalsContact C-N 3.31Å
84A62.5Low74.7Confident49 Ų49121.1 Ų121.141%0.40563%0.633SS.*  trans-79.6-8.6175.300000114.1P80 P81 K86P80-A84 HydrophobicContact CB-CB 4.26Å; P81-A84 HydrophobicContact CB-CB 4.5Å; P81-A84 HydrophobicContact CG-CB 3.8Å; P81-A84 VanDerWaalsContact O-CB 3.22Å; P81-A84 WeakPolarHBondContact O-CB 3.2Å; P81-A84 PolarHBondContact O-N 3.37Å; A84-K86 PolarHBondContact O-N 3.46Å
85K62.8Low74.2Confident183 Ų183119.3 Ų119.380%0.79663%0.629SS**SBendtrans-58.1111.5164.6-71.7-170.8-1791800106.5G83 G87G83-K85 VanDerWaalsContact C-N 3.31Å; K85-G87 PolarHBondContact O-N 2.9Å
86K63.1Low74Confident199 Ų199117.6 Ų117.687%0.86562%0.622SS**  trans-48.4106.1179.9-162.9178.8-172.1179.10106.9A84 K88A84-K86 PolarHBondContact O-N 3.46Å; K86-K88 PolarHBondContact O-N 3.4Å
87G55.4Low73.8Confident58 Ų58117.4 Ų117.460%0.59862%0.622SS**PPolyproline II helixtrans-48.9129.1-167.700000109.9K85 K89K85-G87 PolarHBondContact O-N 2.9Å; G87-K89 PolarHBondContact O-N 3.28Å
88K63.5Low73.7Confident208 Ų208122.1 Ų122.190%0.90463%0.625SS**PPolyproline II helixtrans-49.1117.3174.3-70.7-177.4179.9178.60106K86 K90K86-K88 PolarHBondContact O-N 3.4Å; K88-K90 PolarHBondContact O-N 2.92Å
89K66.5Low73.9Confident187 Ų187122.3 Ų122.381%0.81363%0.631SS**PPolyproline II helixtrans-50.4131.7-179.6-72-177.2177.9-178.40107.4G87 K91G87-K89 PolarHBondContact O-N 3.28Å; K89-K91 PolarHBondContact O-N 2.83Å
90K66.3Low74.2Confident207 Ų207119.4 Ų119.490%0.961%0.614SS**PPolyproline II helixtrans-50.5119.4176.8-69.7-174.3179.5-176.20107.6K88 D92K88-K90 PolarHBondContact O-N 2.92Å; K90-D92 PolarHBondContact O-N 3.38Å
91K73.8Confident74.7Confident142 Ų142120 Ų12062%0.61762%0.62SS**PPolyproline II helixtrans-61.8135.8177.9-159.484.9174.6-1770107.2K89 P93K89-K91 PolarHBondContact O-N 2.83Å; K91-P93 WeakPolarHBondContact O-CD 3.43Å
92D74.8Confident75.3Confident53 Ų53117.2 Ų117.228%0.28360%0.602SS.*PPolyproline II helixtrans-59.1125.5174.1-169.1-37.5000108.5K90 N94 A95 Y163K90-D92 PolarHBondContact O-N 3.38Å; D92-N94 PolarHBondContact O-N 3.18Å; D92-N94 VanDerWaalsContact O-N 3.16Å; D92-N94 WeakPolarHBondContact OD1-CB 3.3Å; D92-N94 PolarHBondContact OD1-N 2.88Å; D92-N94 PolarHBondContact OD1-ND2 2.82Å; D92-A95 HydrophobicContact CB-CB 3.92Å; D92-A95 WeakPolarHBondContact O-CB 3.41Å; D92-A95 PolarHBondContact O-N 3.41Å; D92-Y163 PolarHBondContact OD2-OH 3.37Å
93P78.7Confident76.3Confident126 Ų126109 Ų10982%0.81857%0.567SS**THydrogen-bonded Turntrans-57.7-24.8177.6-24.934.5000113.7K91K91-P93 WeakPolarHBondContact O-CD 3.43Å
94N77.8Confident77.4Confident124 Ų124111.6 Ų111.666%0.66356%0.556SS**THydrogen-bonded Turntrans-92.3-10.1179.9-57.3-60.1000113D92 Y163D92-N94 PolarHBondContact O-N 3.18Å; D92-N94 VanDerWaalsContact O-N 3.16Å; D92-N94 WeakPolarHBondContact OD1-CB 3.3Å; D92-N94 PolarHBondContact OD1-N 2.88Å; D92-N94 PolarHBondContact OD1-ND2 2.82Å; N94-Y163 HydrophobicContact CB-CE2 3.77Å; N94-Y163 VanDerWaalsContact O-CD2 3.26Å; N94-Y163 WeakPolarHBondContact O-CD2 3.44Å; N94-Y163 WeakPolarHBondContact O-CE2 3.46Å
95A81.4Confident78.8Confident28 Ų28110 Ų11023%0.23154%0.541CS..SBendtrans-69.9134.3177.400000109.9D92 K97 Y163D92-A95 HydrophobicContact CB-CB 3.92Å; D92-A95 WeakPolarHBondContact O-CB 3.41Å; D92-A95 PolarHBondContact O-N 3.41Å; A95-K97 PolarHBondContact O-N 3.18Å; A95-Y163 HydrophobicContact CB-CE1 3.82Å
96P83.3Confident80.1Confident24 Ų24101.5 Ų101.516%0.15650%0.504CS..PPolyproline II helixtrans-50.1137.8171-28.335.9000110.4Y156 D159 V160 Y163P96-Y156 HydrophobicContact CB-CD2 3.82Å; P96-Y156 HydrophobicContact CB-CE2 3.62Å; P96-Y156 WeakPolarHBondContact O-CE2 3.22Å; P96-D159 HydrophobicContact CB-CB 4.11Å; P96-D159 HydrophobicContact CG-CB 3.99Å; P96-V160 HydrophobicContact CB-CG2 3.86Å; P96-V160 HydrophobicContact CG-CG2 4.01Å; P96-Y163 VanDerWaalsContact CD-CG 3.43Å; P96-Y163 HydrophobicContact CG-CG 4.18Å
97K84.4Confident81.4Confident192 Ų19293 Ų9384%0.83547%0.469SS*.PPolyproline II helixtrans-83.2137.8179.9-158.3172.3-175.3178.60109.3A95 Y156A95-K97 PolarHBondContact O-N 3.18Å; K97-Y156 WeakPolarHBondContact O-CD2 2.92Å; K97-Y156 WeakPolarHBondContact O-CE2 3.04Å
98R87.7Confident83.1Confident194 Ų19494.1 Ų94.173%0.73247%0.468SS*.PPolyproline II helixtrans-55.7135.4179.5-68.9177.772.3-169.95.7109.5
99P90.5Very high84.2Confident39 Ų3987.8 Ų87.825%0.25344%0.444SS..PPolyproline II helixtrans-69.7152178.530.6-33.7000109.8L152 K153 Y156P99-L152 HydrophobicContact CB-CB 3.92Å; P99-K153 HydrophobicContact CG-CB 4.41Å; P99-Y156 VanDerWaalsContact CD-CG 3.5Å; P99-Y156 HydrophobicContact CG-CD1 4.28Å; P99-Y156 HydrophobicContact CG-CG 4.11Å
100P90Very high85.2Confident62 Ų6280.7 Ų80.740%0.40341%0.414SS..PPolyproline II helixtrans-65.5142.8173.228.1-33.4000110.9F104 V105 L152P100-F104 HydrophobicContact CB-CB 3.74Å; P100-V105 HydrophobicContact CB-CG2 4.26Å; P100-V105 HydrophobicContact CG-CG2 4.02Å; P100-L152 HydrophobicContact CG-CD1 3.85Å
101S92Very high86.3Confident72 Ų7276.1 Ų76.150%0.50339%0.391SS..PPolyproline II helixtrans-67.9164.8170.5178.70000111.1F103 F104 V105S101-F103 PolarHBondContact O-N 3.31Å; S101-F104 PolarHBondContact O-N 2.89Å; S101-V105 WeakPolarHBondContact O-CG2 3.45Å; S101-V105 PolarHBondContact O-N 2.82Å
102A90.9Very high87Confident9 Ų972.3 Ų72.37%0.07438%0.381CS..Hα-helixtrans-50.5-43.7175.700000112.1F104 V105 F106 W134 E146 A149A102-F104 PolarHBondContact O-N 3Å; A102-V105 PolarHBondContact O-N 3.04Å; A102-F106 PolarHBondContact O-N 3.39Å; A102-W134 HydrophobicContact CB-CH2 3.93Å; A102-W134 HydrophobicContact CB-CZ2 4Å; A102-E146 HydrophobicContact CB-CB 4.44Å; A102-E146 HydrophobicContact CB-CG 3.85Å; A102-A149 HydrophobicContact CB-CB 4.04Å
103F90.2Very high87.6Confident55 Ų5577 Ų7724%0.24140%0.395CS..Hα-helixtrans-59-46.3174.3176.4-116.2000112.6S101 V105 F106 C107 W134S101-F103 PolarHBondContact O-N 3.31Å; F103-V105 VanDerWaalsContact C-N 3.32Å; F103-V105 PolarHBondContact O-N 2.85Å; F103-F106 CarbonylContact O-C 3.31Å; F103-F106 WeakPolarHBondContact O-CB 3.4Å; F103-F106 PolarHBondContact O-N 2.72Å; F103-F106 VanDerWaalsContact O-N 3.16Å; F103-C107 WeakPolarHBondContact CE2-SG 3.25Å; F103-C107 WeakPolarHBondContact CZ-SG 3.34Å; F103-C107 PolarHBondContact O-N 2.77Å; F103-C107 PolarHBondContact O-SG 3.41Å; F103-W134 HydrophobicContact CB-CD2 4.46Å; F103-W134 HydrophobicContact CD2-CB 3.6Å; F103-W134 AromaticContact CD2-CD1 3.65Å; F103-W134 AromaticContact CD2-CD2 3.86Å; F103-W134 HydrophobicContact CD2-CD2 3.86Å; F103-W134 AromaticContact CD2-CG 3.42Å; F103-W134 HydrophobicContact CD2-CG 3.42Å; F103-W134 VanDerWaalsContact CD2-CG 3.42Å; F103-W134 HydrophobicContact CE2-CB 3.63Å; F103-W134 AromaticContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CG-CG 4.43Å
104F90.8Very high88Confident132 Ų13271.7 Ų71.758%0.57936%0.359SS*.Hα-helixtrans-67.5-31.6178.9-80-73.9000113.1P100 S101 A102 S108P100-F104 HydrophobicContact CB-CB 3.74Å; S101-F104 PolarHBondContact O-N 2.89Å; A102-F104 PolarHBondContact O-N 3Å; F104-S108 WeakPolarHBondContact O-CB 3.23Å; F104-S108 PolarHBondContact O-N 2.87Å
105V91.6Very high88.5Confident17 Ų1772.2 Ų72.210%0.10336%0.356CS..Hα-helixtrans-65.1-46.1171.5179.50000109.7P100 S101 A102 F103 S108 D109 Y145 K148 L152P100-V105 HydrophobicContact CB-CG2 4.26Å; P100-V105 HydrophobicContact CG-CG2 4.02Å; S101-V105 WeakPolarHBondContact O-CG2 3.45Å; S101-V105 PolarHBondContact O-N 2.82Å; A102-V105 PolarHBondContact O-N 3.04Å; F103-V105 VanDerWaalsContact C-N 3.32Å; F103-V105 PolarHBondContact O-N 2.85Å; V105-S108 WeakPolarHBondContact O-CB 3.46Å; V105-S108 PolarHBondContact O-N 3.47Å; V105-D109 PolarHBondContact O-N 3.23Å; V105-Y145 HydrophobicContact CG1-CD1 4.1Å; V105-K148 HydrophobicContact CG1-CB 4.28Å; V105-K148 HydrophobicContact CG1-CD 3.93Å; V105-L152 HydrophobicContact CG2-CD1 4.19Å
106F90.5Very high88.8Confident4 Ų478.4 Ų78.42%0.01838%0.38CS..Hα-helixtrans-59-47.3174.7170.5-96.7000112.4A102 F103 S108 D109 H110 L130 L133 W134 Q137 Y145A102-F106 PolarHBondContact O-N 3.39Å; F103-F106 CarbonylContact O-C 3.31Å; F103-F106 WeakPolarHBondContact O-CB 3.4Å; F103-F106 PolarHBondContact O-N 2.72Å; F103-F106 VanDerWaalsContact O-N 3.16Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 3.49Å; F106-D109 PolarHBondContact O-N 2.91Å; F106-H110 AromaticContact CD2-CE1 3.33Å; F106-H110 WeakPolarHBondContact CD2-CE1 3.37Å; F106-H110 AromaticContact CD2-ND1 3.36Å; F106-H110 WeakPolarHBondContact CD2-ND1 3.37Å; F106-H110 AromaticContact CE2-CD2 3.88Å; F106-H110 AromaticContact CE2-CE1 3.14Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.4Å; F106-H110 AromaticContact CE2-CG 3.8Å; F106-H110 AromaticContact CE2-ND1 3.34Å; F106-H110 VanDerWaalsContact CE2-ND1 3.34Å; F106-H110 WeakPolarHBondContact CE2-ND1 3.23Å; F106-H110 AromaticContact CE2-NE2 3.5Å; F106-H110 AromaticContact CG-ND1 3.91Å; F106-H110 AromaticContact CZ-CE1 3.99Å; F106-H110 AromaticContact CZ-CG 3.9Å; F106-H110 AromaticContact CZ-ND1 3.86Å; F106-H110 PolarHBondContact O-N 3.5Å; F106-H110 PolarHBondContact O-ND1 3.19Å; F106-L130 HydrophobicContact CE1-CD2 3.86Å; F106-L130 HydrophobicContact CZ-CD2 4.46Å; F106-L133 HydrophobicContact CE1-CB 4.42Å; F106-L133 HydrophobicContact CZ-CB 4.24Å; F106-W134 HydrophobicContact CB-CE3 3.67Å; F106-W134 HydrophobicContact CB-CZ3 3.56Å; F106-W134 HydrophobicContact CD1-CB 4.31Å; F106-W134 HydrophobicContact CD1-CD2 4.46Å; F106-W134 AromaticContact CD1-CE3 3.71Å; F106-W134 HydrophobicContact CD1-CE3 3.71Å; F106-W134 HydrophobicContact CD1-CZ3 4.45Å; F106-W134 AromaticContact CD2-CE3 3.9Å; F106-W134 HydrophobicContact CD2-CE3 3.9Å; F106-W134 HydrophobicContact CD2-CZ3 4.04Å; F106-W134 HydrophobicContact CE1-CB 4.21Å; F106-W134 HydrophobicContact CE1-CE3 4.31Å; F106-W134 HydrophobicContact CE2-CE3 4.47Å; F106-W134 AromaticContact CG-CE3 3.48Å; F106-W134 HydrophobicContact CG-CE3 3.48Å; F106-W134 VanDerWaalsContact CG-CE3 3.48Å; F106-W134 AromaticContact CG-CZ3 3.78Å; F106-W134 HydrophobicContact CG-CZ3 3.78Å; F106-Q137 HydrophobicContact CE2-CG 4.5Å; F106-Y145 HydrophobicContact CB-CD1 4.01Å; F106-Y145 HydrophobicContact CB-CE1 4.27Å; F106-Y145 HydrophobicContact CB-CG 4.17Å; F106-Y145 HydrophobicContact CD2-CD2 4.3Å; F106-Y145 HydrophobicContact CD2-CE1 4.25Å; F106-Y145 AromaticContact CD2-CE2 3.89Å; F106-Y145 HydrophobicContact CD2-CE2 3.89Å; F106-Y145 AromaticContact CD2-CZ 3.88Å
107C90.1Very high89Confident19 Ų1983.1 Ų83.113%0.12840%0.4CS..Hα-helixtrans-61.3-38.4177.1-66.70000112.2F103 D109 H110 R111 L130F103-C107 WeakPolarHBondContact CE2-SG 3.25Å; F103-C107 WeakPolarHBondContact CZ-SG 3.34Å; F103-C107 PolarHBondContact O-N 2.77Å; F103-C107 PolarHBondContact O-SG 3.41Å; C107-D109 VanDerWaalsContact C-N 3.28Å; C107-D109 PolarHBondContact O-N 2.91Å; C107-H110 PolarHBondContact O-N 2.81Å; C107-R111 WeakPolarHBondContact O-CB 3.4Å; C107-R111 PolarHBondContact O-N 3.46Å; C107-L130 HydrophobicContact CB-CD1 3.96Å
108S89.3Confident89Confident83 Ų8378.2 Ų78.258%0.5838%0.379SS*.Hα-helixtrans-61.9-38.7177.4-172.20000111.9F104 V105 F106 P112F104-S108 WeakPolarHBondContact O-CB 3.23Å; F104-S108 PolarHBondContact O-N 2.87Å; V105-S108 WeakPolarHBondContact O-CB 3.46Å; V105-S108 PolarHBondContact O-N 3.47Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 3.49Å; S108-P112 VanDerWaalsContact O-CD 3.26Å; S108-P112 WeakPolarHBondContact O-CD 3.42Å
109D88.6Confident88.9Confident74 Ų7474.3 Ų74.340%0.39638%0.379SS..Hα-helixtrans-76.2-35.2-178.9-68.9-9.3000111.5V105 F106 C107 P112 K148V105-D109 PolarHBondContact O-N 3.23Å; F106-D109 PolarHBondContact O-N 2.91Å; C107-D109 VanDerWaalsContact C-N 3.28Å; C107-D109 PolarHBondContact O-N 2.91Å; D109-P112 WeakPolarHBondContact O-CG 3.33Å; D109-K148 IonicContact OD2-NZ 3.33Å; D109-K148 PolarHBondContact OD2-NZ 3.46Å
110H87.1Confident88.5Confident39 Ų3976.2 Ų76.218%0.18141%0.406CS..Hα-helixtrans-97.3-24.6-173-69.475.4000115F106 C107 R113 I114 L130 Y145F106-H110 AromaticContact CD2-CE1 3.33Å; F106-H110 WeakPolarHBondContact CD2-CE1 3.37Å; F106-H110 AromaticContact CD2-ND1 3.36Å; F106-H110 WeakPolarHBondContact CD2-ND1 3.37Å; F106-H110 AromaticContact CE2-CD2 3.88Å; F106-H110 AromaticContact CE2-CE1 3.14Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.4Å; F106-H110 AromaticContact CE2-CG 3.8Å; F106-H110 AromaticContact CE2-ND1 3.34Å; F106-H110 VanDerWaalsContact CE2-ND1 3.34Å; F106-H110 WeakPolarHBondContact CE2-ND1 3.23Å; F106-H110 AromaticContact CE2-NE2 3.5Å; F106-H110 AromaticContact CG-ND1 3.91Å; F106-H110 AromaticContact CZ-CE1 3.99Å; F106-H110 AromaticContact CZ-CG 3.9Å; F106-H110 AromaticContact CZ-ND1 3.86Å; F106-H110 PolarHBondContact O-N 3.5Å; F106-H110 PolarHBondContact O-ND1 3.19Å; C107-H110 PolarHBondContact O-N 2.81Å; H110-R113 WeakPolarHBondContact O-CB 3.23Å; H110-R113 PolarHBondContact O-N 3.28Å; H110-R113 VanDerWaalsContact O-N 3.15Å; H110-I114 PolarHBondContact O-N 3.07Å; H110-L130 HydrophobicContact CB-CD2 3.36Å; H110-Y145 PolarHBondContact CE1-OH 3.45Å
111R87.9Confident88.3Confident111 Ų11175.2 Ų75.242%0.41940%0.397SS..Hα-helixtrans-54.3-43.6175.6-179.1174.6-178.8-163.5-3.1114.1C107 K115 I123 I126 L130C107-R111 WeakPolarHBondContact O-CB 3.4Å; C107-R111 PolarHBondContact O-N 3.46Å; R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.09Å; R111-I123 VanDerWaalsContact NH2-CG1 3.27Å; R111-I126 HydrophobicContact CB-CG2 4.37Å; R111-I126 HydrophobicContact CG-CG2 4.03Å; R111-L130 HydrophobicContact CB-CD1 4.16Å
112P89.4Confident88.2Confident62 Ų6275 Ų7540%0.40340%0.396SS..Hα-helixtrans-64.1-39.7176.223.8-33000112.1S108 D109 K115 E116S108-P112 VanDerWaalsContact O-CD 3.26Å; S108-P112 WeakPolarHBondContact O-CD 3.42Å; D109-P112 WeakPolarHBondContact O-CG 3.33Å; P112-K115 PolarHBondContact O-N 3.22Å; P112-E116 WeakPolarHBondContact O-CG 3.36Å; P112-E116 PolarHBondContact O-N 2.83Å
113R88.4Confident88Confident152 Ų15279.7 Ų79.757%0.57442%0.418SS*.Hα-helixtrans-59.6-49.4176.8176179.2-89173.8-10.6111.8H110 K115 E116 E117H110-R113 WeakPolarHBondContact O-CB 3.23Å; H110-R113 PolarHBondContact O-N 3.28Å; H110-R113 VanDerWaalsContact O-N 3.15Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 3.35Å; R113-E116 PolarHBondContact O-N 2.79Å; R113-E117 WeakPolarHBondContact CG-OE1 3.42Å; R113-E117 WeakPolarHBondContact O-CG 3.41Å; R113-E117 PolarHBondContact O-N 3.1Å
114I86.4Confident87.9Confident14 Ų1478.9 Ų78.97%0.07243%0.425CS..Hα-helixtrans-65.2-34.9179.1-62.9175.5000111.2H110 E116 E117 H118 I126 L130 L133H110-I114 PolarHBondContact O-N 3.07Å; I114-E116 VanDerWaalsContact C-N 3.33Å; I114-E117 PolarHBondContact O-N 3.49Å; I114-H118 PolarHBondContact O-N 3.21Å; I114-I126 HydrophobicContact CB-CG2 4.1Å; I114-I126 HydrophobicContact CD1-CG2 4.19Å; I114-I126 HydrophobicContact CG2-CB 4.47Å; I114-I126 HydrophobicContact CG2-CG1 4.05Å; I114-I126 HydrophobicContact CG2-CG2 4.01Å; I114-L130 HydrophobicContact CD1-CD1 4.43Å; I114-L130 HydrophobicContact CD1-CD2 3.45Å; I114-L130 VanDerWaalsContact CD1-CD2 3.45Å; I114-L130 HydrophobicContact CD1-CG 3.67Å; I114-L133 HydrophobicContact CD1-CD1 4.36Å
115K88.2Confident87.8Confident135 Ų13576.1 Ų76.159%0.58742%0.417SS*.Hα-helixtrans-67.6-34.4176.3-172.1-177.8178.8-172.30112.4R111 P112 R113 H118 P119 I126R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.09Å; P112-K115 PolarHBondContact O-N 3.22Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 3.35Å; K115-H118 CarbonylContact O-C 3.56Å; K115-H118 VanDerWaalsContact O-C 3.31Å; K115-P119 WeakPolarHBondContact O-CA 3.5Å; K115-I126 HydrophobicContact CB-CD1 4.39Å
116E88.3Confident87.6Confident158 Ų15875.5 Ų75.574%0.73841%0.413SS*.Hα-helixtrans-72.3-40.2174.9-74.3173.3-176.800111.8P112 R113 I114P112-E116 WeakPolarHBondContact O-CG 3.36Å; P112-E116 PolarHBondContact O-N 2.83Å; R113-E116 PolarHBondContact O-N 2.79Å; I114-E116 VanDerWaalsContact C-N 3.33Å
117E87.7Confident87.5Confident123 Ų12377.8 Ų77.858%0.57543%0.432SS*.Hα-helixtrans-69.4-34.3176.3-71.2172.8-172.600112.5R113 I114R113-E117 WeakPolarHBondContact CG-OE1 3.42Å; R113-E117 WeakPolarHBondContact O-CG 3.41Å; R113-E117 PolarHBondContact O-N 3.1Å; I114-E117 PolarHBondContact O-N 3.49Å
118H83.3Confident87.5Confident88 Ų8883.9 Ų83.941%0.40746%0.457SS..SBendtrans-127.175.5179-62.3-75.4000111I114 K115 G120 I121I114-H118 PolarHBondContact O-N 3.21Å; K115-H118 CarbonylContact O-C 3.56Å; K115-H118 VanDerWaalsContact O-C 3.31Å; H118-G120 PolarHBondContact O-N 2.91Å; H118-G120 VanDerWaalsContact O-N 3.13Å; H118-I121 HydrophobicContact CB-CB 4.06Å; H118-I121 HydrophobicContact CB-CD1 4.47Å; H118-I121 HydrophobicContact CB-CG2 3.92Å; H118-I121 WeakPolarHBondContact O-CG2 3.26Å; H118-I121 PolarHBondContact O-N 3.2Å
119P85Confident87.5Confident112 Ų11283.8 Ų83.873%0.72745%0.446SS*.THydrogen-bonded Turntrans-63.7118.2177.926.4-33.1000110K115K115-P119 WeakPolarHBondContact O-CA 3.5Å
120G83.4Confident87.6Confident79 Ų7980.4 Ų80.481%0.81443%0.428SS*.THydrogen-bonded Turntrans107.2-6.5178.100000115.6H118H118-G120 PolarHBondContact O-N 2.91Å; H118-G120 VanDerWaalsContact O-N 3.13Å
121I85.9Confident87.7Confident41 Ų4179.7 Ų79.721%0.2143%0.431CS..  trans-62.9143.2173.4-169170.1000111.6H118 D125 I126 K129H118-I121 HydrophobicContact CB-CB 4.06Å; H118-I121 HydrophobicContact CB-CD1 4.47Å; H118-I121 HydrophobicContact CB-CG2 3.92Å; H118-I121 WeakPolarHBondContact O-CG2 3.26Å; H118-I121 PolarHBondContact O-N 3.2Å; I121-D125 HydrophobicContact CD1-CB 3.89Å; I121-D125 HydrophobicContact CG1-CB 3.73Å; I121-I126 HydrophobicContact CB-CG1 4.48Å; I121-I126 HydrophobicContact CD1-CG1 4.42Å; I121-I126 HydrophobicContact CG1-CG1 4.34Å; I121-I126 HydrophobicContact CG2-CD1 3.62Å; I121-I126 HydrophobicContact CG2-CG1 3.4Å; I121-I126 VanDerWaalsContact CG2-CG1 3.4Å; I121-K129 HydrophobicContact CD1-CD 4.32Å
122S89.4Confident87.9Confident69 Ų6980.8 Ų80.848%0.48344%0.441SS..  trans-65.3147.3177.9-175.90000111.2G124 D125 I126S122-G124 PolarHBondContact O-N 3.04Å; S122-G124 PolarHBondContact OG-N 2.96Å; S122-D125 VanDerWaalsContact CB-OD2 3.27Å; S122-D125 WeakPolarHBondContact CB-OD2 3.36Å; S122-D125 PolarHBondContact O-N 3.46Å; S122-D125 VanDerWaalsContact O-N 3.13Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.13Å
123I86Confident87.8Confident106 Ų10681.3 Ų81.354%0.54444%0.44SS..Hα-helixtrans-58.3-33.4174.8-61.6168.9000110.8R111 A127R111-I123 VanDerWaalsContact NH2-CG1 3.27Å; I123-A127 PolarHBondContact O-N 3.31Å; I123-A127 VanDerWaalsContact O-N 3.08Å
124G88.2Confident87.9Confident38 Ų3876 Ų7639%0.39242%0.42SS..Hα-helixtrans-62.2-48.3175.700000111.9S122 I126 A127 K128S122-G124 PolarHBondContact O-N 3.04Å; S122-G124 PolarHBondContact OG-N 2.96Å; G124-I126 VanDerWaalsContact C-N 3.35Å; G124-I126 PolarHBondContact O-N 3.3Å; G124-A127 WeakPolarHBondContact O-CB 3.47Å; G124-A127 PolarHBondContact O-N 3.48Å; G124-A127 VanDerWaalsContact O-N 3.08Å; G124-K128 PolarHBondContact O-N 3.44Å
125D88.4Confident88Confident75 Ų7578.9 Ų78.940%0.40145%0.446SS..Hα-helixtrans-68.8-34.6-178.6-52.2-33.9000112I121 S122 A127 K128 K129I121-D125 HydrophobicContact CD1-CB 3.89Å; I121-D125 HydrophobicContact CG1-CB 3.73Å; S122-D125 VanDerWaalsContact CB-OD2 3.27Å; S122-D125 WeakPolarHBondContact CB-OD2 3.36Å; S122-D125 PolarHBondContact O-N 3.46Å; S122-D125 VanDerWaalsContact O-N 3.13Å; D125-A127 VanDerWaalsContact C-N 3.29Å; D125-A127 PolarHBondContact O-N 3.45Å; D125-K128 PolarHBondContact O-N 2.86Å; D125-K129 WeakPolarHBondContact O-CG 3.46Å; D125-K129 PolarHBondContact O-N 3.44Å
126I88.1Confident88Confident4 Ų477.5 Ų77.52%0.02145%0.449CS..Hα-helixtrans-61.1-42.6171.1-59.1169000110.3R111 I114 K115 I121 S122 G124 K129 L130R111-I126 HydrophobicContact CB-CG2 4.37Å; R111-I126 HydrophobicContact CG-CG2 4.03Å; I114-I126 HydrophobicContact CB-CG2 4.1Å; I114-I126 HydrophobicContact CD1-CG2 4.19Å; I114-I126 HydrophobicContact CG2-CB 4.47Å; I114-I126 HydrophobicContact CG2-CG1 4.05Å; I114-I126 HydrophobicContact CG2-CG2 4.01Å; K115-I126 HydrophobicContact CB-CD1 4.39Å; I121-I126 HydrophobicContact CB-CG1 4.48Å; I121-I126 HydrophobicContact CD1-CG1 4.42Å; I121-I126 HydrophobicContact CG1-CG1 4.34Å; I121-I126 HydrophobicContact CG2-CD1 3.62Å; I121-I126 HydrophobicContact CG2-CG1 3.4Å; I121-I126 VanDerWaalsContact CG2-CG1 3.4Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.13Å; G124-I126 VanDerWaalsContact C-N 3.35Å; G124-I126 PolarHBondContact O-N 3.3Å; I126-K129 PolarHBondContact O-N 3.34Å; I126-L130 HydrophobicContact CG2-CD1 3.68Å; I126-L130 HydrophobicContact CG2-CG 4.2Å; I126-L130 WeakPolarHBondContact O-CB 3.38Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 3.39Å
127A88.9Confident87.8Confident52 Ų5273.2 Ų73.243%0.4343%0.429SS..Hα-helixtrans-65.1-41.5179.600000111.8I123 G124 D125 L130 G131I123-A127 PolarHBondContact O-N 3.31Å; I123-A127 VanDerWaalsContact O-N 3.08Å; G124-A127 WeakPolarHBondContact O-CB 3.47Å; G124-A127 PolarHBondContact O-N 3.48Å; G124-A127 VanDerWaalsContact O-N 3.08Å; D125-A127 VanDerWaalsContact C-N 3.29Å; D125-A127 PolarHBondContact O-N 3.45Å; A127-L130 PolarHBondContact O-N 2.8Å; A127-G131 PolarHBondContact O-N 2.97Å
128K90.7Very high87.8Confident146 Ų14669 Ų6964%0.63542%0.419SS*.Hα-helixtrans-58.1-53174.1-70.2-176.9177.4-175.70111.3G124 D125 L130 G131 E132G124-K128 PolarHBondContact O-N 3.44Å; D125-K128 PolarHBondContact O-N 2.86Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.94Å; K128-G131 PolarHBondContact O-N 3.25Å; K128-E132 PolarHBondContact O-N 2.91Å; K128-E132 VanDerWaalsContact O-N 3.1Å
129K87.9Confident87.8Confident81 Ų8170.3 Ų70.335%0.35243%0.433SS..Hα-helixtrans-57.1-40.4176.4-72.8-174.5175.3-176.20112.9I121 D125 I126 L133I121-K129 HydrophobicContact CD1-CD 4.32Å; D125-K129 WeakPolarHBondContact O-CG 3.46Å; D125-K129 PolarHBondContact O-N 3.44Å; I126-K129 PolarHBondContact O-N 3.34Å; K129-L133 WeakPolarHBondContact O-CB 3.26Å; K129-L133 VanDerWaalsContact O-CG 3.26Å; K129-L133 WeakPolarHBondContact O-CG 3.47Å; K129-L133 PolarHBondContact O-N 3.35Å
130L90.3Very high87.8Confident3 Ų373.5 Ų73.52%0.01644%0.435CS..Hα-helixtrans-69-34.2177.4-72.9169.5000112.9F106 C107 H110 R111 I114 I126 A127 K128 W134F106-L130 HydrophobicContact CE1-CD2 3.86Å; F106-L130 HydrophobicContact CZ-CD2 4.46Å; C107-L130 HydrophobicContact CB-CD1 3.96Å; H110-L130 HydrophobicContact CB-CD2 3.36Å; R111-L130 HydrophobicContact CB-CD1 4.16Å; I114-L130 HydrophobicContact CD1-CD1 4.43Å; I114-L130 HydrophobicContact CD1-CD2 3.45Å; I114-L130 VanDerWaalsContact CD1-CD2 3.45Å; I114-L130 HydrophobicContact CD1-CG 3.67Å; I126-L130 HydrophobicContact CG2-CD1 3.68Å; I126-L130 HydrophobicContact CG2-CG 4.2Å; I126-L130 WeakPolarHBondContact O-CB 3.38Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 3.39Å; A127-L130 PolarHBondContact O-N 2.8Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.94Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 2.97Å
131G90.8Very high87.9Confident25 Ų2573.8 Ų73.826%0.25842%0.418SS..Hα-helixtrans-61.6-49.7174.100000111.6A127 K128 W134 A135A127-G131 PolarHBondContact O-N 2.97Å; K128-G131 PolarHBondContact O-N 3.25Å; G131-W134 PolarHBondContact O-N 3.42Å; G131-A135 PolarHBondContact O-N 2.86Å
132E90.3Very high88Confident133 Ų13373.5 Ų73.562%0.62142%0.415SS*.Hα-helixtrans-61.7-44.9176.2-67.8169.3-164.700112.1K128 W134 A135 T136K128-E132 PolarHBondContact O-N 2.91Å; K128-E132 VanDerWaalsContact O-N 3.1Å; E132-W134 VanDerWaalsContact C-N 3.31Å; E132-W134 PolarHBondContact O-N 2.88Å; E132-A135 PolarHBondContact O-N 3.24Å; E132-T136 WeakPolarHBondContact O-CG2 3.26Å; E132-T136 PolarHBondContact O-N 3.35Å; E132-T136 PolarHBondContact O-OG1 2.98Å
133L88.4Confident88.1Confident73 Ų7372.3 Ų72.338%0.38241%0.41SS..Hα-helixtrans-59.1-44.9174.5-75.2171.4000110.8F106 I114 K129 T136 Q137F106-L133 HydrophobicContact CE1-CB 4.42Å; F106-L133 HydrophobicContact CZ-CB 4.24Å; I114-L133 HydrophobicContact CD1-CD1 4.36Å; K129-L133 WeakPolarHBondContact O-CB 3.26Å; K129-L133 VanDerWaalsContact O-CG 3.26Å; K129-L133 WeakPolarHBondContact O-CG 3.47Å; K129-L133 PolarHBondContact O-N 3.35Å; L133-T136 WeakPolarHBondContact CA-OG1 3.48Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-T136 PolarHBondContact O-OG1 3.41Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.42Å; L133-Q137 PolarHBondContact O-N 3.38Å
134W89.6Confident88.3Confident41 Ų4170.4 Ų70.416%0.15540%0.404CS..Hα-helixtrans-64.1-41.5177-177.5-102.7000112.2A102 F103 F106 L130 G131 E132 T136 Q137 K142 Y145A102-W134 HydrophobicContact CB-CH2 3.93Å; A102-W134 HydrophobicContact CB-CZ2 4Å; F103-W134 HydrophobicContact CB-CD2 4.46Å; F103-W134 HydrophobicContact CD2-CB 3.6Å; F103-W134 AromaticContact CD2-CD1 3.65Å; F103-W134 AromaticContact CD2-CD2 3.86Å; F103-W134 HydrophobicContact CD2-CD2 3.86Å; F103-W134 AromaticContact CD2-CG 3.42Å; F103-W134 HydrophobicContact CD2-CG 3.42Å; F103-W134 VanDerWaalsContact CD2-CG 3.42Å; F103-W134 HydrophobicContact CE2-CB 3.63Å; F103-W134 AromaticContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CE2-CG 3.98Å; F103-W134 HydrophobicContact CG-CG 4.43Å; F106-W134 HydrophobicContact CB-CE3 3.67Å; F106-W134 HydrophobicContact CB-CZ3 3.56Å; F106-W134 HydrophobicContact CD1-CB 4.31Å; F106-W134 HydrophobicContact CD1-CD2 4.46Å; F106-W134 AromaticContact CD1-CE3 3.71Å; F106-W134 HydrophobicContact CD1-CE3 3.71Å; F106-W134 HydrophobicContact CD1-CZ3 4.45Å; F106-W134 AromaticContact CD2-CE3 3.9Å; F106-W134 HydrophobicContact CD2-CE3 3.9Å; F106-W134 HydrophobicContact CD2-CZ3 4.04Å; F106-W134 HydrophobicContact CE1-CB 4.21Å; F106-W134 HydrophobicContact CE1-CE3 4.31Å; F106-W134 HydrophobicContact CE2-CE3 4.47Å; F106-W134 AromaticContact CG-CE3 3.48Å; F106-W134 HydrophobicContact CG-CE3 3.48Å; F106-W134 VanDerWaalsContact CG-CE3 3.48Å; F106-W134 AromaticContact CG-CZ3 3.78Å; F106-W134 HydrophobicContact CG-CZ3 3.78Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 2.97Å; G131-W134 PolarHBondContact O-N 3.42Å; E132-W134 VanDerWaalsContact C-N 3.31Å; E132-W134 PolarHBondContact O-N 2.88Å; W134-T136 VanDerWaalsContact C-N 3.3Å; W134-T136 PolarHBondContact O-N 3.43Å; W134-Q137 PolarHBondContact O-N 3.18Å; W134-K142 HydrophobicContact CD2-CG 4.37Å; W134-K142 HydrophobicContact CE3-CG 4.2Å; W134-K142 HydrophobicContact CH2-CB 3.82Å; W134-K142 HydrophobicContact CH2-CD 4.37Å; W134-K142 HydrophobicContact CH2-CG 3.63Å; W134-K142 HydrophobicContact CZ2-CB 4.18Å; W134-K142 HydrophobicContact CZ2-CD 4.03Å; W134-K142 HydrophobicContact CZ2-CG 3.8Å; W134-K142 HydrophobicContact CZ3-CB 4.34Å; W134-K142 HydrophobicContact CZ3-CG 3.84Å; W134-K142 WeakPolarHBondContact O-CE 3.44Å; W134-K142 PolarHBondContact O-NZ 3.16Å; W134-Y145 HydrophobicContact CH2-CD2 4.47Å; W134-Y145 HydrophobicContact CH2-CG 4.48Å; W134-Y145 AromaticContact CZ3-CD2 3.93Å; W134-Y145 HydrophobicContact CZ3-CD2 3.93Å; W134-Y145 HydrophobicContact CZ3-CG 4.15Å
135A88.9Confident88.5Confident75 Ų7570.4 Ų70.462%0.6239%0.393SS*.Hα-helixtrans-60.2-41.7176.600000111.7G131 E132G131-A135 PolarHBondContact O-N 2.86Å; E132-A135 PolarHBondContact O-N 3.24Å
136T88.6Confident88.5Confident106 Ų10671.7 Ų71.765%0.6540%0.397SS*.Hα-helixtrans-77.6-23179.356.10000114.3E132 L133 W134 G138E132-T136 WeakPolarHBondContact O-CG2 3.26Å; E132-T136 PolarHBondContact O-N 3.35Å; E132-T136 PolarHBondContact O-OG1 2.98Å; L133-T136 WeakPolarHBondContact CA-OG1 3.48Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-T136 PolarHBondContact O-OG1 3.41Å; W134-T136 VanDerWaalsContact C-N 3.3Å; W134-T136 PolarHBondContact O-N 3.43Å; T136-G138 PolarHBondContact O-N 3.2Å
137Q85Confident88.7Confident67 Ų6773.8 Ų73.831%0.31341%0.414SS..SBendtrans-61.7134.8175.1-77.7-54.3-77.800111.3F106 L133 W134 D141 K142F106-Q137 HydrophobicContact CE2-CG 4.5Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.42Å; L133-Q137 PolarHBondContact O-N 3.38Å; W134-Q137 PolarHBondContact O-N 3.18Å; Q137-D141 HydrophobicContact CB-CB 4.45Å; Q137-K142 HydrophobicContact CB-CG 4.23Å; Q137-K142 WeakPolarHBondContact O-CE 3.26Å; Q137-K142 PolarHBondContact O-NZ 2.96Å
138G86Confident88.8Confident35 Ų3575.9 Ų75.936%0.36141%0.414SS..  trans-70.6161.7176.600000112.6T136 K140 D141 K142T136-G138 PolarHBondContact O-N 3.2Å; G138-K140 PolarHBondContact O-N 3.26Å; G138-K140 VanDerWaalsContact O-N 3.13Å; G138-D141 PolarHBondContact O-N 2.99Å; G138-K142 WeakPolarHBondContact O-CG 3.45Å; G138-K142 PolarHBondContact O-N 3.46Å; G138-K142 VanDerWaalsContact O-N 3.08Å
139T83.1Confident88.8Confident115 Ų11569.6 Ų69.671%0.70639%0.389SS*.Hα-helixtrans-57-30177.953.60000113K142 A143T139-K142 PolarHBondContact O-N 3.33Å; T139-A143 WeakPolarHBondContact O-CB 3.37Å; T139-A143 PolarHBondContact O-N 2.8Å
140K85.5Confident89Confident180 Ų18068.3 Ų68.378%0.78339%0.393SS*.Hα-helixtrans-66.6-39.2176.8-68.2-179.5-179.31690112.9G138 P144G138-K140 PolarHBondContact O-N 3.26Å; G138-K140 VanDerWaalsContact O-N 3.13Å; K140-P144 VanDerWaalsContact O-CD 3.26Å; K140-P144 WeakPolarHBondContact O-CD 3.35Å
141D85.6Confident89.1Confident84 Ų8475.3 Ų75.345%0.44942%0.424SS..Hα-helixtrans-79.9-28.5-179.8-55.2-54.9000111.2Q137 G138 P144 Y145Q137-D141 HydrophobicContact CB-CB 4.45Å; G138-D141 PolarHBondContact O-N 2.99Å; D141-P144 VanDerWaalsContact O-CD 3.28Å; D141-P144 WeakPolarHBondContact O-CD 3.11Å; D141-P144 VanDerWaalsContact O-CG 3.26Å; D141-P144 WeakPolarHBondContact O-CG 3.37Å; D141-Y145 WeakPolarHBondContact O-CD2 3.47Å; D141-Y145 VanDerWaalsContact O-CE2 3.23Å; D141-Y145 WeakPolarHBondContact O-CE2 3.2Å
142K88.3Confident89.1Confident35 Ų3577.5 Ų77.515%0.15243%0.429CS..Hα-helixtrans-73-35.2172.3-67.6174.9170155.50113.2W134 Q137 G138 T139 Y145 E146W134-K142 HydrophobicContact CD2-CG 4.37Å; W134-K142 HydrophobicContact CE3-CG 4.2Å; W134-K142 HydrophobicContact CH2-CB 3.82Å; W134-K142 HydrophobicContact CH2-CD 4.37Å; W134-K142 HydrophobicContact CH2-CG 3.63Å; W134-K142 HydrophobicContact CZ2-CB 4.18Å; W134-K142 HydrophobicContact CZ2-CD 4.03Å; W134-K142 HydrophobicContact CZ2-CG 3.8Å; W134-K142 HydrophobicContact CZ3-CB 4.34Å; W134-K142 HydrophobicContact CZ3-CG 3.84Å; W134-K142 WeakPolarHBondContact O-CE 3.44Å; W134-K142 PolarHBondContact O-NZ 3.16Å; Q137-K142 HydrophobicContact CB-CG 4.23Å; Q137-K142 WeakPolarHBondContact O-CE 3.26Å; Q137-K142 PolarHBondContact O-NZ 2.96Å; G138-K142 WeakPolarHBondContact O-CG 3.45Å; G138-K142 PolarHBondContact O-N 3.46Å; G138-K142 VanDerWaalsContact O-N 3.08Å; T139-K142 PolarHBondContact O-N 3.33Å; K142-Y145 WeakPolarHBondContact O-CA 3Å; K142-Y145 WeakPolarHBondContact O-CB 3.4Å; K142-Y145 PolarHBondContact O-N 3.39Å; K142-E146 PolarHBondContact O-N 3.48Å
143A90.6Very high89.1Confident45 Ų4577 Ų7737%0.37243%0.425SS..Hα-helixtrans-48.3-45.9-17800000115.3T139 Y145 E146 A147T139-A143 WeakPolarHBondContact O-CB 3.37Å; T139-A143 PolarHBondContact O-N 2.8Å; A143-Y145 VanDerWaalsContact C-N 3.32Å; A143-Y145 PolarHBondContact O-N 3.26Å; A143-E146 PolarHBondContact O-N 3.49Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 3.43Å
144P91.8Very high89.3Confident65 Ų6578 Ų7842%0.42243%0.428SS..Hα-helixtrans-64.5-34.4175.824.4-35.3000112.9K140 D141 K148K140-P144 VanDerWaalsContact O-CD 3.26Å; K140-P144 WeakPolarHBondContact O-CD 3.35Å; D141-P144 VanDerWaalsContact O-CD 3.28Å; D141-P144 WeakPolarHBondContact O-CD 3.11Å; D141-P144 VanDerWaalsContact O-CG 3.26Å; D141-P144 WeakPolarHBondContact O-CG 3.37Å; P144-K148 WeakPolarHBondContact O-CB 3.34Å; P144-K148 VanDerWaalsContact O-CG 3.26Å; P144-K148 WeakPolarHBondContact O-CG 3.14Å; P144-K148 PolarHBondContact O-N 2.9Å
145Y91.1Very high89.3Confident39 Ų3982.4 Ų82.415%0.15345%0.448CS..Hα-helixtrans-74.2-37.9177.5-59.4-77.1000111.8V105 F106 H110 W134 D141 K142 A143 K148 A149V105-Y145 HydrophobicContact CG1-CD1 4.1Å; F106-Y145 HydrophobicContact CB-CD1 4.01Å; F106-Y145 HydrophobicContact CB-CE1 4.27Å; F106-Y145 HydrophobicContact CB-CG 4.17Å; F106-Y145 HydrophobicContact CD2-CD2 4.3Å; F106-Y145 HydrophobicContact CD2-CE1 4.25Å; F106-Y145 AromaticContact CD2-CE2 3.89Å; F106-Y145 HydrophobicContact CD2-CE2 3.89Å; F106-Y145 AromaticContact CD2-CZ 3.88Å; H110-Y145 PolarHBondContact CE1-OH 3.45Å; W134-Y145 HydrophobicContact CH2-CD2 4.47Å; W134-Y145 HydrophobicContact CH2-CG 4.48Å; W134-Y145 AromaticContact CZ3-CD2 3.93Å; W134-Y145 HydrophobicContact CZ3-CD2 3.93Å; W134-Y145 HydrophobicContact CZ3-CG 4.15Å; D141-Y145 WeakPolarHBondContact O-CD2 3.47Å; D141-Y145 VanDerWaalsContact O-CE2 3.23Å; D141-Y145 WeakPolarHBondContact O-CE2 3.2Å; K142-Y145 WeakPolarHBondContact O-CA 3Å; K142-Y145 WeakPolarHBondContact O-CB 3.4Å; K142-Y145 PolarHBondContact O-N 3.39Å; A143-Y145 VanDerWaalsContact C-N 3.32Å; A143-Y145 PolarHBondContact O-N 3.26Å; Y145-K148 PolarHBondContact O-N 2.89Å; Y145-A149 WeakPolarHBondContact O-CB 3.48Å; Y145-A149 PolarHBondContact O-N 2.9Å
146E90.1Very high89.4Confident102 Ų10281.5 Ų81.548%0.47743%0.429SS..Hα-helixtrans-62.5-44.4171.3-70.9177.1-16600111.4A102 K142 A143 K148 A149 A150A102-E146 HydrophobicContact CB-CB 4.44Å; A102-E146 HydrophobicContact CB-CG 3.85Å; K142-E146 PolarHBondContact O-N 3.48Å; A143-E146 PolarHBondContact O-N 3.49Å; E146-K148 PolarHBondContact O-N 3.42Å; E146-A149 PolarHBondContact O-N 3.41Å; E146-A150 VanDerWaalsContact O-CB 3.31Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 3.22Å
147A91.9Very high89.5Confident48 Ų4881.4 Ų81.440%0.39742%0.421SS..Hα-helixtrans-63.4-39.5175.400000112.2A143 K151A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 3.43Å; A147-K151 WeakPolarHBondContact O-CG 3.34Å; A147-K151 PolarHBondContact O-N 3.08Å; A147-K151 VanDerWaalsContact O-N 3.1Å
148K90.2Very high89.7Confident95 Ų9584.1 Ų84.141%0.41343%0.432SS..Hα-helixtrans-62.3-47172.6-76.6172.7-179.1178.10111V105 D109 P144 Y145 E146 K151 L152V105-K148 HydrophobicContact CG1-CB 4.28Å; V105-K148 HydrophobicContact CG1-CD 3.93Å; D109-K148 IonicContact OD2-NZ 3.33Å; D109-K148 PolarHBondContact OD2-NZ 3.46Å; P144-K148 WeakPolarHBondContact O-CB 3.34Å; P144-K148 VanDerWaalsContact O-CG 3.26Å; P144-K148 WeakPolarHBondContact O-CG 3.14Å; P144-K148 PolarHBondContact O-N 2.9Å; Y145-K148 PolarHBondContact O-N 2.89Å; E146-K148 PolarHBondContact O-N 3.42Å; K148-K151 PolarHBondContact O-N 3.08Å; K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.45Å; K148-L152 VanDerWaalsContact O-N 3.09Å
149A91.6Very high89.8Confident14 Ų1486.1 Ų86.112%0.11643%0.434CS..Hα-helixtrans-64.5-39.9178.700000112.2A102 Y145 E146 K151 L152 K153A102-A149 HydrophobicContact CB-CB 4.04Å; Y145-A149 WeakPolarHBondContact O-CB 3.48Å; Y145-A149 PolarHBondContact O-N 2.9Å; E146-A149 PolarHBondContact O-N 3.41Å; A149-K151 PolarHBondContact O-N 3.47Å; A149-L152 PolarHBondContact O-N 2.86Å; A149-K153 WeakPolarHBondContact O-CB 3.23Å; A149-K153 PolarHBondContact O-N 3.44Å
150A91.9Very high90Very high54 Ų5481.4 Ų81.445%0.44641%0.405SS..Hα-helixtrans-61.4-43.3175.600000111.9E146 L152 K153 E154E146-A150 VanDerWaalsContact O-CB 3.31Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 3.22Å; A150-L152 VanDerWaalsContact C-N 3.35Å; A150-L152 PolarHBondContact O-N 3.04Å; A150-K153 WeakPolarHBondContact O-CB 3.33Å; A150-K153 PolarHBondContact O-N 3.05Å; A150-E154 PolarHBondContact O-N 3.01Å
151K92.5Very high90.1Very high150 Ų15075.5 Ų75.565%0.65239%0.39SS*.Hα-helixtrans-62.2-41174.1-73.2174.6-178.3175.40112.4A147 K148 A149 K153 E154 K155A147-K151 WeakPolarHBondContact O-CG 3.34Å; A147-K151 PolarHBondContact O-N 3.08Å; A147-K151 VanDerWaalsContact O-N 3.1Å; K148-K151 PolarHBondContact O-N 3.08Å; A149-K151 PolarHBondContact O-N 3.47Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K151-E154 PolarHBondContact O-N 2.99Å; K151-K155 PolarHBondContact O-N 3.05Å; K151-K155 VanDerWaalsContact O-N 3.09Å
152L90.6Very high90.2Very high71 Ų7173.5 Ų73.537%0.37239%0.385SS..Hα-helixtrans-66.3-36.8175.6-68.3173.1000111.7P99 P100 V105 K148 A149 A150 K155 Y156P99-L152 HydrophobicContact CB-CB 3.92Å; P100-L152 HydrophobicContact CG-CD1 3.85Å; V105-L152 HydrophobicContact CG2-CD1 4.19Å; K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.45Å; K148-L152 VanDerWaalsContact O-N 3.09Å; A149-L152 PolarHBondContact O-N 2.86Å; A150-L152 VanDerWaalsContact C-N 3.35Å; A150-L152 PolarHBondContact O-N 3.04Å; L152-K155 PolarHBondContact O-N 3.15Å; L152-Y156 WeakPolarHBondContact O-CB 3.36Å; L152-Y156 PolarHBondContact O-N 2.92Å
153K90.6Very high90.1Very high122 Ų12273.7 Ų73.753%0.5339%0.385SS..Hα-helixtrans-62.6-48.1173.5-173.4-179.8175.8-1780111.9P99 A149 A150 K151 K155 Y156 E157P99-K153 HydrophobicContact CG-CB 4.41Å; A149-K153 WeakPolarHBondContact O-CB 3.23Å; A149-K153 PolarHBondContact O-N 3.44Å; A150-K153 WeakPolarHBondContact O-CB 3.33Å; A150-K153 PolarHBondContact O-N 3.05Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-K155 PolarHBondContact O-N 3.31Å; K153-Y156 WeakPolarHBondContact O-CB 3.26Å; K153-Y156 PolarHBondContact O-N 2.87Å; K153-Y156 VanDerWaalsContact O-N 3.15Å; K153-E157 WeakPolarHBondContact CE-OE1 2.76Å; K153-E157 WeakPolarHBondContact O-CG 3.44Å; K153-E157 PolarHBondContact O-N 3.2Å
154E91.3Very high89.8Confident96 Ų9679.3 Ų79.345%0.44940%0.397SS..Hα-helixtrans-60-42.3177.4-167.7-164151.400111.7A150 K151 E157 K158A150-E154 PolarHBondContact O-N 3.01Å; K151-E154 PolarHBondContact O-N 2.99Å; E154-E157 PolarHBondContact O-N 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.14Å; E154-K158 PolarHBondContact O-N 2.92Å; E154-K158 VanDerWaalsContact O-N 3.11Å; E154-K158 WeakPolarHBondContact OE1-CE 3.37Å; E154-K158 IonicContact OE1-NZ 3.06Å; E154-K158 PolarHBondContact OE1-NZ 3.33Å
155K91Very high89.5Confident133 Ų13380.5 Ų80.558%0.57841%0.412SS*.Hα-helixtrans-61.9-46.5174.9-174.7178.9177.7-178.60111.5K151 L152 K153 E157 K158 D159K151-K155 PolarHBondContact O-N 3.05Å; K151-K155 VanDerWaalsContact O-N 3.09Å; L152-K155 PolarHBondContact O-N 3.15Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-K155 PolarHBondContact O-N 3.31Å; K155-E157 VanDerWaalsContact C-N 3.32Å; K155-E157 PolarHBondContact O-N 3.47Å; K155-K158 WeakPolarHBondContact O-CB 3.28Å; K155-K158 PolarHBondContact O-N 3.38Å; K155-D159 PolarHBondContact O-N 3.07Å
156Y91.2Very high88.9Confident56 Ų5687.4 Ų87.422%0.2244%0.443CS..Hα-helixtrans-60.9-40.5177.2172.1-103.3000112.3P96 K97 P99 L152 K153 K158 D159 V160P96-Y156 HydrophobicContact CB-CD2 3.82Å; P96-Y156 HydrophobicContact CB-CE2 3.62Å; P96-Y156 WeakPolarHBondContact O-CE2 3.22Å; K97-Y156 WeakPolarHBondContact O-CD2 2.92Å; K97-Y156 WeakPolarHBondContact O-CE2 3.04Å; P99-Y156 VanDerWaalsContact CD-CG 3.5Å; P99-Y156 HydrophobicContact CG-CD1 4.28Å; P99-Y156 HydrophobicContact CG-CG 4.11Å; L152-Y156 WeakPolarHBondContact O-CB 3.36Å; L152-Y156 PolarHBondContact O-N 2.92Å; K153-Y156 WeakPolarHBondContact O-CB 3.26Å; K153-Y156 PolarHBondContact O-N 2.87Å; K153-Y156 VanDerWaalsContact O-N 3.15Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 2.86Å; Y156-D159 PolarHBondContact O-N 3.49Å; Y156-V160 HydrophobicContact CD1-CG2 4Å; Y156-V160 HydrophobicContact CD2-CG2 3.96Å; Y156-V160 HydrophobicContact CE1-CG2 3.58Å; Y156-V160 HydrophobicContact CE2-CG2 3.55Å; Y156-V160 HydrophobicContact CG-CG2 4.18Å; Y156-V160 WeakPolarHBondContact O-CB 3.39Å; Y156-V160 VanDerWaalsContact O-CG2 3.24Å; Y156-V160 WeakPolarHBondContact O-CG2 3.4Å; Y156-V160 PolarHBondContact O-N 3.08Å
157E89.1Confident88.3Confident103 Ų10384.8 Ų84.848%0.48144%0.444SS..Hα-helixtrans-62.5-40.9177.1-74.5172.3-175.800111.7K153 E154 K155 V160 A161K153-E157 WeakPolarHBondContact CE-OE1 2.76Å; K153-E157 WeakPolarHBondContact O-CG 3.44Å; K153-E157 PolarHBondContact O-N 3.2Å; E154-E157 PolarHBondContact O-N 3.25Å; K155-E157 VanDerWaalsContact C-N 3.32Å; K155-E157 PolarHBondContact O-N 3.47Å; E157-V160 PolarHBondContact O-N 3.13Å; E157-A161 VanDerWaalsContact O-CB 3.32Å; E157-A161 WeakPolarHBondContact O-CB 3.43Å; E157-A161 PolarHBondContact O-N 3.13Å
158K90.8Very high87Confident125 Ų12583.3 Ų83.354%0.54343%0.433SS..Hα-helixtrans-62.9-45.4172.1-69.3173.7-173166.10111.7E154 K155 Y156 V160 A161 A162E154-K158 WeakPolarHBondContact O-CG 3.14Å; E154-K158 PolarHBondContact O-N 2.92Å; E154-K158 VanDerWaalsContact O-N 3.11Å; E154-K158 WeakPolarHBondContact OE1-CE 3.37Å; E154-K158 IonicContact OE1-NZ 3.06Å; E154-K158 PolarHBondContact OE1-NZ 3.33Å; K155-K158 WeakPolarHBondContact O-CB 3.28Å; K155-K158 PolarHBondContact O-N 3.38Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 2.86Å; K158-V160 VanDerWaalsContact C-N 3.34Å; K158-V160 PolarHBondContact O-N 2.74Å; K158-A161 PolarHBondContact O-N 2.88Å; K158-A162 WeakPolarHBondContact O-CB 3.47Å; K158-A162 PolarHBondContact O-N 3.41Å
159D87.6Confident85.4Confident77 Ų7783.1 Ų83.141%0.41244%0.444SS..Hα-helixtrans-63.9-40.1178.3-69.5-21.3000111.5P96 K155 Y156 A162 Y163P96-D159 HydrophobicContact CB-CB 4.11Å; P96-D159 HydrophobicContact CG-CB 3.99Å; K155-D159 PolarHBondContact O-N 3.07Å; Y156-D159 PolarHBondContact O-N 3.49Å; D159-A162 PolarHBondContact O-N 3.05Å; D159-Y163 WeakPolarHBondContact O-CB 3.4Å; D159-Y163 PolarHBondContact O-N 3.13Å
160V87.4Confident83.5Confident15 Ų1584.5 Ų84.59%0.09146%0.459CS..Hα-helixtrans-67.1-41.2175169.10000111.2P96 Y156 E157 K158 Y163 R164P96-V160 HydrophobicContact CB-CG2 3.86Å; P96-V160 HydrophobicContact CG-CG2 4.01Å; Y156-V160 HydrophobicContact CD1-CG2 4Å; Y156-V160 HydrophobicContact CD2-CG2 3.96Å; Y156-V160 HydrophobicContact CE1-CG2 3.58Å; Y156-V160 HydrophobicContact CE2-CG2 3.55Å; Y156-V160 HydrophobicContact CG-CG2 4.18Å; Y156-V160 WeakPolarHBondContact O-CB 3.39Å; Y156-V160 VanDerWaalsContact O-CG2 3.24Å; Y156-V160 WeakPolarHBondContact O-CG2 3.4Å; Y156-V160 PolarHBondContact O-N 3.08Å; E157-V160 PolarHBondContact O-N 3.13Å; K158-V160 VanDerWaalsContact C-N 3.34Å; K158-V160 PolarHBondContact O-N 2.74Å; V160-Y163 PolarHBondContact O-N 3.3Å; V160-R164 HydrophobicContact CG1-CG 4.3Å; V160-R164 WeakPolarHBondContact O-CB 3.17Å; V160-R164 VanDerWaalsContact O-CG 3.27Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-N 2.87Å
161A87.8Confident81.2Confident56 Ų5691.2 Ų91.246%0.46348%0.478SS..Hα-helixtrans-61.8-45.9175.300000110.9E157 K158 Y163 R164 A165E157-A161 VanDerWaalsContact O-CB 3.32Å; E157-A161 WeakPolarHBondContact O-CB 3.43Å; E157-A161 PolarHBondContact O-N 3.13Å; K158-A161 PolarHBondContact O-N 2.88Å; A161-Y163 PolarHBondContact O-N 3.17Å; A161-R164 PolarHBondContact O-N 3.46Å; A161-A165 WeakPolarHBondContact O-CB 3.43Å; A161-A165 PolarHBondContact O-N 3.03Å
162A87.8Confident78.8Confident43 Ų4388.7 Ų88.736%0.35548%0.479SS..Hα-helixtrans-63.2-40.617500000112.2K158 D159 A165 K166K158-A162 WeakPolarHBondContact O-CB 3.47Å; K158-A162 PolarHBondContact O-N 3.41Å; D159-A162 PolarHBondContact O-N 3.05Å; A162-A165 PolarHBondContact O-N 3.39Å; A162-K166 WeakPolarHBondContact O-CB 3.44Å; A162-K166 VanDerWaalsContact O-CG 3.29Å; A162-K166 WeakPolarHBondContact O-CG 3.4Å; A162-K166 PolarHBondContact O-N 2.95Å
163Y86.1Confident76.3Confident38 Ų3892.9 Ų92.915%0.14950%0.502CS..Hα-helixtrans-64.5-44.6176.7179.1-109000112.3D92 N94 A95 P96 D159 V160 A161 K166 G167 G168D92-Y163 PolarHBondContact OD2-OH 3.37Å; N94-Y163 HydrophobicContact CB-CE2 3.77Å; N94-Y163 VanDerWaalsContact O-CD2 3.26Å; N94-Y163 WeakPolarHBondContact O-CD2 3.44Å; N94-Y163 WeakPolarHBondContact O-CE2 3.46Å; A95-Y163 HydrophobicContact CB-CE1 3.82Å; P96-Y163 VanDerWaalsContact CD-CG 3.43Å; P96-Y163 HydrophobicContact CG-CG 4.18Å; D159-Y163 WeakPolarHBondContact O-CB 3.4Å; D159-Y163 PolarHBondContact O-N 3.13Å; V160-Y163 PolarHBondContact O-N 3.3Å; A161-Y163 PolarHBondContact O-N 3.17Å; Y163-K166 PolarHBondContact O-N 2.94Å; Y163-G167 PolarHBondContact O-N 3.01Å; Y163-G168 VanDerWaalsContact CE1-CA 3.43Å; Y163-G168 WeakPolarHBondContact CE1-O 3.25Å; Y163-G168 VanDerWaalsContact CZ-C 3.45Å; Y163-G168 WeakPolarHBondContact O-CA 3.26Å; Y163-G168 PolarHBondContact O-N 2.96Å; Y163-G168 PolarHBondContact OH-O 3.23Å
164R84.5Confident73.8Confident163 Ų16391.9 Ų91.962%0.61552%0.517SS*.Hα-helixtrans-61.7-44.2173.9-75.3174.1176.7159.5-1.3111.2V160 A161 K166 G167V160-R164 HydrophobicContact CG1-CG 4.3Å; V160-R164 WeakPolarHBondContact O-CB 3.17Å; V160-R164 VanDerWaalsContact O-CG 3.27Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-N 2.87Å; A161-R164 PolarHBondContact O-N 3.46Å; R164-K166 VanDerWaalsContact C-N 3.27Å; R164-K166 PolarHBondContact O-N 3.28Å; R164-G167 PolarHBondContact O-N 3.49Å
165A83.6Confident70.8Confident90 Ų9090.7 Ų90.774%0.74453%0.53SS*.Hα-helixtrans-62.7-32.7177.100000112.8A161 A162 G167A161-A165 WeakPolarHBondContact O-CB 3.43Å; A161-A165 PolarHBondContact O-N 3.03Å; A162-A165 PolarHBondContact O-N 3.39Å; A165-G167 PolarHBondContact O-N 3.1Å
166K80.4Confident67.9Low185 Ų18594.3 Ų94.380%0.80455%0.546SS*.THydrogen-bonded Turntrans-8110.1174.5-69.6174.2-178.5-179.70114A162 Y163 R164A162-K166 WeakPolarHBondContact O-CB 3.44Å; A162-K166 VanDerWaalsContact O-CG 3.29Å; A162-K166 WeakPolarHBondContact O-CG 3.4Å; A162-K166 PolarHBondContact O-N 2.95Å; Y163-K166 PolarHBondContact O-N 2.94Å; R164-K166 VanDerWaalsContact C-N 3.27Å; R164-K166 PolarHBondContact O-N 3.28Å
167G75.9Confident65.1Low47 Ų47101 Ų10149%0.48558%0.576SS.*THydrogen-bonded Turntrans81.911177.700000115Y163 R164 A165 S169 G170Y163-G167 PolarHBondContact O-N 3.01Å; R164-G167 PolarHBondContact O-N 3.49Å; A165-G167 PolarHBondContact O-N 3.1Å; G167-S169 PolarHBondContact O-N 3.42Å; G167-S169 VanDerWaalsContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 2.98Å
168G64.8Low62.3Low16 Ų16101.9 Ų101.917%0.16559%0.593CS.*THydrogen-bonded Turntrans-66.2-8.7-176.800000115.8Y163Y163-G168 VanDerWaalsContact CE1-CA 3.43Å; Y163-G168 WeakPolarHBondContact CE1-O 3.25Å; Y163-G168 VanDerWaalsContact CZ-C 3.45Å; Y163-G168 WeakPolarHBondContact O-CA 3.26Å; Y163-G168 PolarHBondContact O-N 2.96Å; Y163-G168 PolarHBondContact OH-O 3.23Å
169S57.8Low59.3Low92 Ų9299.3 Ų99.364%0.64360%0.603SS**THydrogen-bonded Turntrans-91.63.7175.552.10000114.3G167G167-S169 PolarHBondContact O-N 3.42Å; G167-S169 VanDerWaalsContact O-N 3.12Å
170G50Low57Low43 Ų43102.1 Ų102.144%0.44363%0.625SS.*  trans-116.2-0.9-16600000118.2G167G167-G170 PolarHBondContact O-N 2.98Å
171K43.7Very low54.3Low194 Ų194105.2 Ų105.284%0.84366%0.66SS**SBendtrans-101.236.2-178.6-73.4-171.2176.9-1770114.7
172S43.2Very low51.5Low97 Ų97114.1 Ų114.168%0.67868%0.682SS**SBendtrans-133.7105.3152.357.10000107.4
173D37.9Very low48.9Very low159 Ų159117.7 Ų117.785%0.8570%0.701SS**  trans93.366.8177.7-130.7-90000117
174A37.1Very low46.8Very low101 Ų101122 Ų12284%0.83573%0.734SS**  trans-127.987.3153.900000107.8
175G29.2Very low44.2Very low71 Ų71119.2 Ų119.273%0.73275%0.746SS**  trans-168.826-169.400000118.5
176K30.7Very low41.8Very low210 Ų210124.9 Ų124.991%0.91375%0.754SS**SBendtrans-153.8134.3147.3-150.7135.8176.2-176.50111.7
177K31.5Very low39.6Very low196 Ų196125.7 Ų125.785%0.85276%0.757SS**  trans-80.2143.1-157.7-58.5176.3171.2176.80113.9
178S31.3Very low37.5Very low121 Ų121130.3 Ų130.385%0.84678%0.776SS**  trans46125.1134.162.90000122.4
179G26.7Very low35.8Very low72 Ų72138 Ų13874%0.74281%0.807SS**  trans-165.4128.9147.500000110
180P40.1Very low35.1Very low135 Ų135139.4 Ų139.488%0.87781%0.814SS**  trans-96.1151.4-150.536.3-34.3000115.6
181G30.1Very low34.5Very low80 Ų80140.7 Ų140.783%0.82582%0.821SS**  trans100.6100.814100000118.4
182R29.2Very low33.8Very low243 Ų243139.2 Ų139.292%0.91782%0.822SS**  trans-161.2136.7135.7-154.9158.3171.4-128.4-4.3111.9
183P33.5Very low33.5Very low118 Ų118142 Ų14277%0.76683%0.829SS**  trans-87.6176.9-169.239-36.9000113.3
184P41.8Very low33.3Very low129 Ų129141.5 Ų141.584%0.83883%0.826SS**  trans-95150.6-14437-34.2000114
185A30.5Very low33.1Very low104 Ų104143.7 Ų143.786%0.8682%0.824SS**  trans-125.1135.616800000111.2
186K31.8Very low33.3Very low210 Ų210146.6 Ų146.691%0.91382%0.823SS**  trans-65.2152.3-163.7-77171.1168.7176.50115.3
187K35.7Very low33.6Very low202 Ų202142.6 Ų142.688%0.87881%0.812SS**  trans-43.3135.7162.4-64175.5173-178.90113.3
188V30.8Very low33.7Very low144 Ų144140 Ų14087%0.87381%0.807SS**  -148.7125124.4-156.90000109
189Q29.8Very low33.9Very low177 Ų177142.1 Ų142.183%0.82780%0.803SS**  trans-119.9157.3161.2-92.3-171.910.700105
190P42.6Very low34.3Very low122 Ų122145.5 Ų145.579%0.79281%0.805SS**  -138.9-176.856.929.2-5.9000112.5
191A36.2Very low34.4Very low70 Ų70145.2 Ų145.258%0.57980%0.796SS**  cis-179.6120.8-29.300000102.1
192D30.5Very low34.8Very low162 Ų162147.5 Ų147.587%0.86679%0.789SS**  trans-130.9105.9171.7-49-61.8000106.3
193D36.8Very low35.2Very low155 Ų155143.5 Ų143.583%0.82978%0.781SS**  trans-63.5120.3165.7-108.3-96.9000107.6
194D32.4Very low35.4Very low149 Ų149145.9 Ų145.980%0.79778%0.782SS**  trans-127.995.8165.5-140.8-89.4000106.2D196D194-D196 PolarHBondContact O-N 2.99Å
195D33.7Very low35.4Very low148 Ų148148.3 Ų148.379%0.79178%0.782SS**  trans-82.192.2174.9-164.959.7000106.2D197D195-D197 PolarHBondContact O-N 3.24Å
196D33.6Very low35.9Very low131 Ų131151 Ų15170%0.70178%0.782SS**  trans-89.196.3176.8-158.2-39.9000107.9D194D194-D196 PolarHBondContact O-N 2.99Å
197D35.9Very low36.5Very low126 Ų126148.8 Ų148.867%0.67478%0.78SS**  trans-83.596.7175.2-163.737.4000108.2D195 E199D195-D197 PolarHBondContact O-N 3.24Å; D197-E199 PolarHBondContact O-N 3.47Å
198D34.8Very low36.8Very low141 Ų141146.4 Ų146.475%0.75478%0.777SS**  trans-95.688.8179.1-142.5-20000107.8D200D198-D200 PolarHBondContact O-N 2.89Å
199E36.1Very low37.6Very low166 Ų166147.5 Ų147.578%0.77678%0.778SS**  trans-75.3103.7167-74.7-174149.700108.7D197 D201D197-E199 PolarHBondContact O-N 3.47Å; E199-D201 PolarHBondContact O-N 2.92Å
200D35.1Very low38.6Very low144 Ų144146.3 Ų146.377%0.7778%0.777SS**  trans-85.4104.8175.1-157.516.7000108.7D198D198-D200 PolarHBondContact O-N 2.89Å
201D41.4Very low39.1Very low128 Ų128147.9 Ų147.968%0.68478%0.779SS**  trans-86.199.3175.1-171.338.4000108.5E199 E203E199-D201 PolarHBondContact O-N 2.92Å; D201-E203 PolarHBondContact O-N 3.34Å
202D38.3Very low40Very low128 Ų128151.1 Ų151.168%0.68479%0.786SS**  trans-91.588.3173.6-105-30.3000108.2
203E37.7Very low41.3Very low159 Ų159150.7 Ų150.774%0.74378%0.784SS**  trans-77.1106.8159.6-74.2-176.5159.900108.5D201D201-E203 PolarHBondContact O-N 3.34Å
204E37.4Very low42.1Very low168 Ų168149.8 Ų149.879%0.78578%0.779SS**  trans-102.9106.4166.2-67.1-89-170.400107.3
205E42.9Very low42.9Very low180 Ų180155.1 Ų155.184%0.84180%0.799SS**  trans-72.4114.4164.8-68.5-179.3155.900108.3
206D40.9Very low43.4Very low162 Ų162155.5 Ų155.587%0.86680%0.8SS**  trans-96.3113.7162.8-100-38.5000107.6
207D43.9Very low43.9Very low163 Ų163156.7 Ų156.787%0.87281%0.805SS**  trans-61.9120.3171.4-118.5-63.4000109.4D209D207-D209 PolarHBondContact O-N 3.38Å
208D41.7Very low44.3Very low151 Ų151158.4 Ų158.481%0.80781%0.812SS**  trans-71.6109.2168-85.8-56.2000109.4
209D47.8Very low44.9Very low167 Ų167159.5 Ų159.589%0.89382%0.816SS**  trans-103.390.5160.2-131.8-28.8000106.7D207D207-D209 PolarHBondContact O-N 3.38Å
210D50.3Low45.4Very low152 Ų152159.1 Ų159.181%0.81382%0.818SS**  trans-83.4107.8175.4-136.7-24.4000107.4
211D53.6Low46.1Very low155 Ų155160.1 Ų160.183%0.82982%0.821SS**  trans-98.5131.2170.4-147.8-28.8000108.9
212D55.7Low46.5Very low138 Ų138162.4 Ų162.474%0.73883%0.831SS**  trans-62.5138.7-172.2-149.5-55.9000112.3
213D56.4Low47.1Very low154 Ų154165 Ų16582%0.82484%0.842SS**  trans-168.9107.8136.3-141.728.6000112.8
214D55Low47.9Very low135 Ų135165.5 Ų165.572%0.72285%0.851SS**  trans16123.8137.7-132-55.4000120.5
215E48.7Very low48.8Very low261 Ų261165.3 Ų165.3100%1.2286%0.857SS**  -166.20112.7-156.3170.1136.800112.3

Retrieved 215 of 215 residues in 242.1 ms (Link to these results)

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