Q1JPR1_SCHMA Loading...

Putative high mobility group B2 protein

AlphaFold DB , UniProt , Accession Q1JPR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene hmgb2, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low71.4Confident232 Ų232143.5 Ų143.5100%1.14369%0.688SS**  0109.80-84.564.6169.200110.4K3M1-K3 PolarHBondContact O-N 2.75Å
2N50Low72.9Confident160 Ų160134.5 Ų134.586%0.85666%0.661SS**  trans-65.6116.9165.9-71.1-26.9000107T4N2-T4 PolarHBondContact O-N 3.42Å
3K56.4Low74.4Confident199 Ų199127.8 Ų127.887%0.86563%0.633SS**  trans-55.1106.2168.1-75175.5178.8172.20106.3M1 K5M1-K3 PolarHBondContact O-N 2.75Å; K3-K5 PolarHBondContact O-N 3.49Å
4T65.4Low75.7Confident109 Ų109120.6 Ų120.667%0.66960%0.598SS**  trans-59108.3172.141.90000105.5N2 D6N2-T4 PolarHBondContact O-N 3.42Å; T4-D6 PolarHBondContact O-N 2.91Å
5K68.5Low77.1Confident192 Ų192117.3 Ų117.384%0.83559%0.591SS**  trans-66.9123.1174.3-71.6175.6-177.6168.90105.4K3 K7K3-K5 PolarHBondContact O-N 3.49Å; K5-K7 PolarHBondContact O-N 3.42Å; K5-K7 VanDerWaalsContact O-N 3.13Å
6D79.6Confident78.2Confident35 Ų35110.9 Ų110.919%0.18756%0.562CS.*  trans-55.2120.1169.1179.83.4000108.8T4 N8 K9 Y79 P82T4-D6 PolarHBondContact O-N 2.91Å; D6-N8 VanDerWaalsContact C-N 3.27Å; D6-N8 WeakPolarHBondContact OD1-CB 3.43Å; D6-N8 PolarHBondContact OD1-N 3.41Å; D6-K9 HydrophobicContact CB-CB 4.19Å; D6-K9 WeakPolarHBondContact O-CB 3.32Å; D6-K9 PolarHBondContact O-N 3.21Å; D6-Y79 WeakPolarHBondContact OD2-CE2 3.35Å; D6-Y79 PolarHBondContact OD2-OH 2.87Å; D6-P82 WeakPolarHBondContact OD2-CD 3.03Å
7K80.1Confident79.2Confident202 Ų202108.5 Ų108.588%0.87855%0.545SS*.THydrogen-bonded Turntrans-71.9-25.9-179.1-65.3179.4-177.4175.40111.4K5 K9K5-K7 PolarHBondContact O-N 3.42Å; K5-K7 VanDerWaalsContact O-N 3.13Å; K7-K9 VanDerWaalsContact C-N 3.28Å
8N85.1Confident80.1Confident135 Ų135104.2 Ų104.272%0.72253%0.528SS*.THydrogen-bonded Turntrans-84.1-6.1179.6-65.3-23.7000112.4D6 P10 Y79D6-N8 VanDerWaalsContact C-N 3.27Å; D6-N8 WeakPolarHBondContact OD1-CB 3.43Å; D6-N8 PolarHBondContact OD1-N 3.41Å; N8-P10 VanDerWaalsContact O-CD 3.31Å; N8-P10 WeakPolarHBondContact O-CD 3.39Å; N8-Y79 WeakPolarHBondContact O-CD2 3.48Å
9K86.8Confident80.9Confident121 Ų12199 Ų9953%0.52650%0.503SS..SBendtrans-67.5123176.1-175169.4-177.5170.80110.7D6 K7 K11 Y79D6-K9 HydrophobicContact CB-CB 4.19Å; D6-K9 WeakPolarHBondContact O-CB 3.32Å; D6-K9 PolarHBondContact O-N 3.21Å; K7-K9 VanDerWaalsContact C-N 3.28Å; K9-K11 PolarHBondContact O-N 3.44Å; K9-Y79 HydrophobicContact CB-CE1 4.3Å; K9-Y79 HydrophobicContact CB-CE2 4.02Å; K9-Y79 HydrophobicContact CD-CE1 4.33Å; K9-Y79 HydrophobicContact CG-CE1 3.91Å; K9-Y79 HydrophobicContact CG-CE2 4.48Å
10P88.5Confident81.6Confident20 Ų2094.2 Ų94.213%0.1348%0.478CS..PPolyproline II helixtrans-52.1138.7175.1-28.435.4000112.1N8 G12 F72 E75 M76 Y79N8-P10 VanDerWaalsContact O-CD 3.31Å; N8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-G12 PolarHBondContact O-N 3.34Å; P10-F72 HydrophobicContact CB-CD2 4.03Å; P10-F72 HydrophobicContact CB-CE2 4.01Å; P10-F72 WeakPolarHBondContact O-CE2 3.37Å; P10-E75 HydrophobicContact CB-CB 3.73Å; P10-E75 HydrophobicContact CG-CB 3.69Å; P10-M76 HydrophobicContact CB-CG 4.19Å; P10-M76 HydrophobicContact CB-SD 4.03Å; P10-M76 HydrophobicContact CG-CG 4.32Å; P10-M76 HydrophobicContact CG-SD 3.93Å; P10-Y79 VanDerWaalsContact CD-CG 3.4Å; P10-Y79 HydrophobicContact CG-CG 4.13Å
11K88.7Confident82.2Confident174 Ų17491.3 Ų91.376%0.75747%0.465SS*.PPolyproline II helixtrans-73.6130.1178.4-174.767.3174.5-173.20109.3K9 R71 F72K9-K11 PolarHBondContact O-N 3.44Å; K11-R71 PolarHBondContact O-NH2 2.93Å; K11-F72 WeakPolarHBondContact O-CD2 3.46Å
12G89.5Confident84.9Confident35 Ų3584.6 Ų84.636%0.36143%0.431SS..PPolyproline II helixtrans-47.4154.3178.400000114P10 F72P10-G12 PolarHBondContact O-N 3.34Å; G12-F72 VanDerWaalsContact CA-CE2 3.47Å
13P92.6Very high87Confident47 Ų4779.1 Ų79.131%0.30540%0.403SS..PPolyproline II helixtrans-67.5141.9-171.732.1-34.5000110.2D68 R69 F72P13-D68 VanDerWaalsContact CA-OD2 3.31Å; P13-D68 WeakPolarHBondContact CA-OD2 3.24Å; P13-R69 HydrophobicContact CB-CB 4.11Å; P13-R69 HydrophobicContact CB-CG 4.36Å; P13-F72 HydrophobicContact CB-CB 3.95Å; P13-F72 HydrophobicContact CB-CD1 4.24Å; P13-F72 HydrophobicContact CB-CG 4.23Å; P13-F72 VanDerWaalsContact CD-CD1 3.48Å; P13-F72 HydrophobicContact CG-CD1 4Å; P13-F72 HydrophobicContact CG-CG 4.39Å
14M92.8Very high88.7Confident28 Ų2871 Ų7114%0.13837%0.369CS..PPolyproline II helixtrans-76.3139.5-179.5-66.5-174.870.700110.8A18 Q22 A65 D68M14-A18 HydrophobicContact CB-CB 4.09Å; M14-A18 HydrophobicContact CE-CB 3.63Å; M14-A18 WeakPolarHBondContact CE-O 3.39Å; M14-A18 HydrophobicContact CG-CB 4.45Å; M14-Q22 HydrophobicContact CE-CB 4.28Å; M14-Q22 HydrophobicContact CE-CG 3.47Å; M14-Q22 VanDerWaalsContact CE-CG 3.47Å; M14-Q22 HydrophobicContact SD-CG 4.43Å; M14-Q22 PolarHBondContact SD-NE2 2.89Å; M14-Q22 PolarHBondContact SD-OE1 3.05Å; M14-A65 WeakPolarHBondContact O-CB 3.31Å; M14-D68 HydrophobicContact CB-CB 4.1Å; M14-D68 WeakPolarHBondContact CB-OD2 3.48Å; M14-D68 WeakPolarHBondContact CG-OD2 3.44Å; M14-D68 PolarHBondContact N-OD2 2.95Å
15S95.7Very high89.9Confident70 Ų7072.1 Ų72.149%0.4936%0.361SS..PPolyproline II helixtrans-77.4164.2166.265.40000110.3Y17 A18 C19S15-Y17 PolarHBondContact O-N 3.39Å; S15-A18 WeakPolarHBondContact O-CA 3.31Å; S15-A18 WeakPolarHBondContact O-CB 3.5Å; S15-A18 PolarHBondContact O-N 3.06Å; S15-A18 PolarHBondContact OG-N 3.42Å; S15-C19 PolarHBondContact O-N 3.09Å; S15-C19 PolarHBondContact O-SG 3.36Å
16A95.5Very high91Very high15 Ų1568.7 Ų68.712%0.12435%0.348CS..Hα-helixtrans-53.9-42.8176.400000112.2A18 C19 F20 W50 F61 E62 A65A16-A18 PolarHBondContact O-N 3.38Å; A16-C19 PolarHBondContact O-N 3.22Å; A16-F20 WeakPolarHBondContact O-CB 3.19Å; A16-F20 PolarHBondContact O-N 3.45Å; A16-W50 HydrophobicContact CB-CH2 3.8Å; A16-W50 HydrophobicContact CB-CZ2 4.21Å; A16-F61 WeakPolarHBondContact CA-O 3.29Å; A16-F61 HydrophobicContact CB-CB 4.05Å; A16-F61 WeakPolarHBondContact CB-O 3.34Å; A16-F61 WeakPolarHBondContact O-CB 3.45Å; A16-E62 HydrophobicContact CB-CB 4.49Å; A16-E62 HydrophobicContact CB-CG 3.87Å; A16-A65 HydrophobicContact CB-CB 4.3Å
17Y94.2Very high91.6Very high71 Ų7171.1 Ų71.128%0.27836%0.358SS..Hα-helixtrans-62-40.9174.2179.5-110000112.4S15 F20 V21 C46 W50S15-Y17 PolarHBondContact O-N 3.39Å; Y17-F20 HydrophobicContact CD2-CD1 4.02Å; Y17-F20 HydrophobicContact CE2-CD1 4.05Å; Y17-F20 HydrophobicContact CE2-CE1 4.29Å; Y17-F20 WeakPolarHBondContact O-CB 3.42Å; Y17-F20 PolarHBondContact O-N 3.22Å; Y17-V21 HydrophobicContact CD1-CG2 4.11Å; Y17-V21 HydrophobicContact CD2-CG2 4.31Å; Y17-V21 HydrophobicContact CE1-CG2 3.68Å; Y17-V21 HydrophobicContact CE2-CG2 3.9Å; Y17-V21 HydrophobicContact CG-CG2 4.42Å; Y17-V21 VanDerWaalsContact O-CG2 3.26Å; Y17-V21 WeakPolarHBondContact O-CG2 3.32Å; Y17-V21 PolarHBondContact O-N 3.21Å; Y17-C46 HydrophobicContact CE2-CB 4.45Å; Y17-W50 HydrophobicContact CD2-CB 3.91Å; Y17-W50 AromaticContact CD2-CD1 3.9Å; Y17-W50 AromaticContact CD2-CD2 3.73Å; Y17-W50 HydrophobicContact CD2-CD2 3.73Å; Y17-W50 HydrophobicContact CD2-CE3 4.22Å; Y17-W50 AromaticContact CD2-CG 3.57Å; Y17-W50 HydrophobicContact CD2-CG 3.57Å; Y17-W50 HydrophobicContact CE2-CB 3.84Å; Y17-W50 HydrophobicContact CE2-CG 4.01Å
18A95.5Very high92Very high30 Ų3063.8 Ų63.825%0.24833%0.327CS..Hα-helixtrans-65.9-41.3178.100000111.8M14 S15 A16 F20 V21 Q22M14-A18 HydrophobicContact CB-CB 4.09Å; M14-A18 HydrophobicContact CE-CB 3.63Å; M14-A18 WeakPolarHBondContact CE-O 3.39Å; M14-A18 HydrophobicContact CG-CB 4.45Å; S15-A18 WeakPolarHBondContact O-CA 3.31Å; S15-A18 WeakPolarHBondContact O-CB 3.5Å; S15-A18 PolarHBondContact O-N 3.06Å; S15-A18 PolarHBondContact OG-N 3.42Å; A16-A18 PolarHBondContact O-N 3.38Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 2.85Å; A18-V21 PolarHBondContact O-N 3.45Å; A18-Q22 PolarHBondContact O-N 2.76Å
19C95.6Very high92.2Very high6 Ų662.9 Ų62.94%0.04132%0.317CS..Hα-helixtrans-59.4-43172.2-63.50000111.2S15 A16 Q22 V23 F61 L64S15-C19 PolarHBondContact O-N 3.09Å; S15-C19 PolarHBondContact O-SG 3.36Å; A16-C19 PolarHBondContact O-N 3.22Å; C19-Q22 WeakPolarHBondContact O-CB 3.39Å; C19-Q22 PolarHBondContact O-N 2.85Å; C19-V23 WeakPolarHBondContact O-CG2 3.45Å; C19-V23 PolarHBondContact O-N 3.19Å; C19-F61 HydrophobicContact CB-CD1 4.26Å; C19-L64 HydrophobicContact CB-CB 4.05Å
20F95.5Very high92.4Very high2 Ų265.9 Ų65.91%0.00933%0.33CS..Hα-helixtrans-59.9-48174.3163.1-97.9000112.8A16 Y17 A18 Q22 V23 I24 C46 R49 W50 M53 F61A16-F20 WeakPolarHBondContact O-CB 3.19Å; A16-F20 PolarHBondContact O-N 3.45Å; Y17-F20 HydrophobicContact CD2-CD1 4.02Å; Y17-F20 HydrophobicContact CE2-CD1 4.05Å; Y17-F20 HydrophobicContact CE2-CE1 4.29Å; Y17-F20 WeakPolarHBondContact O-CB 3.42Å; Y17-F20 PolarHBondContact O-N 3.22Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 2.85Å; F20-Q22 VanDerWaalsContact C-N 3.25Å; F20-Q22 PolarHBondContact O-N 3.03Å; F20-V23 PolarHBondContact O-N 2.95Å; F20-I24 HydrophobicContact CD2-CD1 4.49Å; F20-I24 HydrophobicContact CD2-CG1 3.89Å; F20-I24 HydrophobicContact CE1-CG1 4.16Å; F20-I24 HydrophobicContact CE2-CD1 3.8Å; F20-I24 HydrophobicContact CE2-CG1 3.41Å; F20-I24 VanDerWaalsContact CE2-CG1 3.41Å; F20-I24 HydrophobicContact CG-CG1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 4.19Å; F20-I24 HydrophobicContact CZ-CG1 3.57Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 3.5Å; F20-C46 HydrophobicContact CE1-CB 3.9Å; F20-C46 VanDerWaalsContact CE1-O 3.28Å; F20-C46 WeakPolarHBondContact CE1-O 3.25Å; F20-R49 HydrophobicContact CE2-CG 4.1Å; F20-R49 HydrophobicContact CZ-CB 3.88Å; F20-R49 HydrophobicContact CZ-CG 3.74Å; F20-W50 HydrophobicContact CB-CE3 3.72Å; F20-W50 HydrophobicContact CB-CZ3 3.57Å; F20-W50 HydrophobicContact CD1-CB 4.37Å; F20-W50 HydrophobicContact CD1-CD2 4.48Å; F20-W50 AromaticContact CD1-CE3 3.75Å; F20-W50 HydrophobicContact CD1-CE3 3.75Å; F20-W50 HydrophobicContact CD1-CZ3 4.48Å; F20-W50 HydrophobicContact CD2-CE3 4.01Å; F20-W50 HydrophobicContact CD2-CZ3 4.34Å; F20-W50 HydrophobicContact CE1-CB 4.08Å; F20-W50 HydrophobicContact CE1-CE3 4.39Å; F20-W50 AromaticContact CG-CE3 3.54Å; F20-W50 HydrophobicContact CG-CE3 3.54Å; F20-W50 AromaticContact CG-CZ3 3.89Å; F20-W50 HydrophobicContact CG-CZ3 3.89Å; F20-M53 HydrophobicContact CD2-SD 3.67Å; F20-M53 HydrophobicContact CE2-SD 3.49Å; F20-M53 WeakPolarHBondContact CE2-SD 3.31Å; F20-M53 HydrophobicContact CZ-SD 4.3Å; F20-F61 VanDerWaalsContact CA-CD1 3.49Å; F20-F61 HydrophobicContact CB-CD1 3.74Å; F20-F61 HydrophobicContact CB-CD2 4.09Å; F20-F61 HydrophobicContact CB-CE1 3.82Å; F20-F61 HydrophobicContact CB-CE2 4.14Å; F20-F61 HydrophobicContact CB-CG 3.87Å; F20-F61 HydrophobicContact CB-CZ 3.98Å; F20-F61 HydrophobicContact CD2-CD2 4.29Å; F20-F61 HydrophobicContact CD2-CE1 4.2Å; F20-F61 AromaticContact CD2-CE2 3.62Å; F20-F61 HydrophobicContact CD2-CE2 3.62Å; F20-F61 AromaticContact CD2-CZ 3.54Å; F20-F61 HydrophobicContact CD2-CZ 3.54Å; F20-F61 HydrophobicContact CG-CE2 4.35Å; F20-F61 HydrophobicContact CG-CZ 4.25Å
21V94.7Very high92.5Very high35 Ų3571.3 Ų71.321%0.21235%0.351CS..Hα-helixtrans-59.8-38.1178172.70000110.9Y17 A18 R25 F42 C46Y17-V21 HydrophobicContact CD1-CG2 4.11Å; Y17-V21 HydrophobicContact CD2-CG2 4.31Å; Y17-V21 HydrophobicContact CE1-CG2 3.68Å; Y17-V21 HydrophobicContact CE2-CG2 3.9Å; Y17-V21 HydrophobicContact CG-CG2 4.42Å; Y17-V21 VanDerWaalsContact O-CG2 3.26Å; Y17-V21 WeakPolarHBondContact O-CG2 3.32Å; Y17-V21 PolarHBondContact O-N 3.21Å; A18-V21 PolarHBondContact O-N 3.45Å; V21-R25 WeakPolarHBondContact O-CB 3.39Å; V21-R25 PolarHBondContact O-N 3.47Å; V21-F42 HydrophobicContact CG1-CE1 3.8Å; V21-F42 HydrophobicContact CG1-CZ 4.49Å; V21-C46 HydrophobicContact CG2-CB 4.05Å
22Q93.2Very high92.4Very high91 Ų9167 Ų6743%0.42533%0.334SS..Hα-helixtrans-62.2-51.7173.9-83.6-175.8-17.100112.5M14 A18 C19 F20 I24 R25 E26M14-Q22 HydrophobicContact CE-CB 4.28Å; M14-Q22 HydrophobicContact CE-CG 3.47Å; M14-Q22 VanDerWaalsContact CE-CG 3.47Å; M14-Q22 HydrophobicContact SD-CG 4.43Å; M14-Q22 PolarHBondContact SD-NE2 2.89Å; M14-Q22 PolarHBondContact SD-OE1 3.05Å; A18-Q22 PolarHBondContact O-N 2.76Å; C19-Q22 WeakPolarHBondContact O-CB 3.39Å; C19-Q22 PolarHBondContact O-N 2.85Å; F20-Q22 VanDerWaalsContact C-N 3.25Å; F20-Q22 PolarHBondContact O-N 3.03Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 2.85Å; Q22-R25 WeakPolarHBondContact O-CB 3.37Å; Q22-R25 PolarHBondContact O-N 3.4Å; Q22-E26 WeakPolarHBondContact O-CG 2.99Å; Q22-E26 PolarHBondContact O-N 3.41Å
23V93.7Very high92.2Very high45 Ų4571 Ų7127%0.27335%0.354SS..Hα-helixtrans-58.8-44.3-179.9171.20000111.3C19 F20 R25 E26 E27 F61C19-V23 WeakPolarHBondContact O-CG2 3.45Å; C19-V23 PolarHBondContact O-N 3.19Å; F20-V23 PolarHBondContact O-N 2.95Å; V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 2.91Å; V23-E26 PolarHBondContact O-N 3.36Å; V23-E27 WeakPolarHBondContact O-CB 3.42Å; V23-E27 PolarHBondContact O-N 2.94Å; V23-F61 HydrophobicContact CB-CE1 4.08Å; V23-F61 HydrophobicContact CG1-CE1 4.48Å; V23-F61 HydrophobicContact CG2-CE1 3.96Å
24I92.4Very high91.8Very high29 Ų2972.1 Ų72.115%0.14937%0.373CS..Hα-helixtrans-66.7-35.6177.5-64.2-63.2000111.4F20 Q22 H28 F42F20-I24 HydrophobicContact CD2-CD1 4.49Å; F20-I24 HydrophobicContact CD2-CG1 3.89Å; F20-I24 HydrophobicContact CE1-CG1 4.16Å; F20-I24 HydrophobicContact CE2-CD1 3.8Å; F20-I24 HydrophobicContact CE2-CG1 3.41Å; F20-I24 VanDerWaalsContact CE2-CG1 3.41Å; F20-I24 HydrophobicContact CG-CG1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 4.19Å; F20-I24 HydrophobicContact CZ-CG1 3.57Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 3.5Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 2.85Å; I24-H28 WeakPolarHBondContact O-CB 3.49Å; I24-H28 PolarHBondContact O-N 2.97Å; I24-F42 HydrophobicContact CB-CZ 4.35Å; I24-F42 HydrophobicContact CG2-CE2 3.75Å; I24-F42 HydrophobicContact CG2-CZ 3.96Å
25R89.5Confident91.4Very high131 Ų13176.2 Ų76.249%0.49439%0.392SS..Hα-helixtrans-68.1-40.4177.3-169.1178.5-174-165.81.4111.4V21 Q22 V23 H28 K29 I37 F42V21-R25 WeakPolarHBondContact O-CB 3.39Å; V21-R25 PolarHBondContact O-N 3.47Å; Q22-R25 WeakPolarHBondContact O-CB 3.37Å; Q22-R25 PolarHBondContact O-N 3.4Å; V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 2.91Å; R25-H28 PolarHBondContact O-N 3.11Å; R25-K29 WeakPolarHBondContact O-CB 3.41Å; R25-K29 WeakPolarHBondContact O-CG 3.41Å; R25-K29 PolarHBondContact O-N 3.26Å; R25-I37 HydrophobicContact CG-CD1 4.19Å; R25-F42 HydrophobicContact CB-CE1 4.09Å; R25-F42 HydrophobicContact CB-CE2 4.43Å; R25-F42 HydrophobicContact CB-CZ 3.59Å; R25-F42 HydrophobicContact CG-CE1 4.39Å; R25-F42 HydrophobicContact CG-CZ 4.15Å
26E92.7Very high90.6Very high121 Ų12181.1 Ų81.157%0.56541%0.407SS*.Hα-helixtrans-65.9-44.1175.3-72.9170.6-170.100111.4Q22 V23 H28 K29 K30Q22-E26 WeakPolarHBondContact O-CG 2.99Å; Q22-E26 PolarHBondContact O-N 3.41Å; V23-E26 PolarHBondContact O-N 3.36Å; E26-H28 VanDerWaalsContact C-N 3.32Å; E26-H28 PolarHBondContact O-N 3Å; E26-K29 PolarHBondContact O-N 2.93Å; E26-K30 WeakPolarHBondContact O-CB 3.14Å; E26-K30 PolarHBondContact O-N 2.89Å
27E91Very high89.9Confident85 Ų8582.6 Ų82.640%0.39741%0.412SS..Hα-helixtrans-59.6-43.7174.8-172.4-177.5172.100111.5V23 K30 K31V23-E27 WeakPolarHBondContact O-CB 3.42Å; V23-E27 PolarHBondContact O-N 2.94Å; E27-K30 PolarHBondContact O-N 2.9Å; E27-K31 HydrophobicContact CG-CD 4.45Å; E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 3.36Å; E27-K31 VanDerWaalsContact O-N 3.1Å; E27-K31 WeakPolarHBondContact OE1-CE 3.34Å; E27-K31 IonicContact OE1-NZ 3.47Å; E27-K31 PolarHBondContact OE1-NZ 3.05Å
28H89.4Confident89.6Confident49 Ų4983.4 Ų83.423%0.22742%0.424CS..Hα-helixtrans-64.6-44.1176.9-169.7-63.4000111.9I24 R25 E26 K30 K31 H32 I37I24-H28 WeakPolarHBondContact O-CB 3.49Å; I24-H28 PolarHBondContact O-N 2.97Å; R25-H28 PolarHBondContact O-N 3.11Å; E26-H28 VanDerWaalsContact C-N 3.32Å; E26-H28 PolarHBondContact O-N 3Å; H28-K30 VanDerWaalsContact C-N 3.29Å; H28-K30 PolarHBondContact O-N 3.39Å; H28-K31 PolarHBondContact O-N 2.99Å; H28-H32 PolarHBondContact O-N 3.4Å; H28-I37 HydrophobicContact CB-CD1 3.85Å; H28-I37 WeakPolarHBondContact ND1-CD1 3.41Å; H28-I37 WeakPolarHBondContact ND1-CG1 3.48Å
29K88Confident89.2Confident116 Ų11689.8 Ų89.850%0.50445%0.447SS..Hα-helixtrans-62.4-36.2176.7-78.1179.7172.1-165.90112.3R25 E26 H32 P33 I37R25-K29 WeakPolarHBondContact O-CB 3.41Å; R25-K29 WeakPolarHBondContact O-CG 3.41Å; R25-K29 PolarHBondContact O-N 3.26Å; E26-K29 PolarHBondContact O-N 2.93Å; K29-H32 CarbonylContact O-C 3.47Å; K29-P33 VanDerWaalsContact O-CA 3.25Å; K29-P33 WeakPolarHBondContact O-CA 2.84Å; K29-I37 HydrophobicContact CG-CD1 4.39Å
30K91.9Very high89Confident184 Ų18492.3 Ų92.380%0.847%0.465SS*.Hα-helixtrans-68.4-38.8177.4-174.3172.7-178.31740112.4E26 E27 H28E26-K30 WeakPolarHBondContact O-CB 3.14Å; E26-K30 PolarHBondContact O-N 2.89Å; E27-K30 PolarHBondContact O-N 2.9Å; H28-K30 VanDerWaalsContact C-N 3.29Å; H28-K30 PolarHBondContact O-N 3.39Å
31K89.6Confident88.8Confident133 Ų13395.9 Ų95.958%0.57848%0.484SS*.Hα-helixtrans-80.2-32.1179.7-68.4-179.8-171.3174.40113E27 H28 P33E27-K31 HydrophobicContact CG-CD 4.45Å; E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 3.36Å; E27-K31 VanDerWaalsContact O-N 3.1Å; E27-K31 WeakPolarHBondContact OE1-CE 3.34Å; E27-K31 IonicContact OE1-NZ 3.47Å; E27-K31 PolarHBondContact OE1-NZ 3.05Å; H28-K31 PolarHBondContact O-N 2.99Å; K31-P33 VanDerWaalsContact C-CD 3.48Å; K31-P33 WeakPolarHBondContact O-CD 3.49Å
32H86.8Confident88.6Confident84 Ų8495 Ų9539%0.38948%0.477SS..  trans-128.170.3-177.6-57.9-101.1000110.5H28 K29 G34 E35H28-H32 PolarHBondContact O-N 3.4Å; K29-H32 CarbonylContact O-C 3.47Å; H32-G34 PolarHBondContact O-N 3.23Å; H32-E35 HydrophobicContact CB-CB 3.64Å; H32-E35 IonicContact CE1-OE2 2.89Å; H32-E35 IonicContact CG-OE2 2.65Å; H32-E35 IonicContact ND1-OE2 3.53Å; H32-E35 PolarHBondContact ND1-OE2 3Å; H32-E35 PolarHBondContact O-N 2.55Å; H32-E35 VanDerWaalsContact O-N 3.15Å
33P85.3Confident88.5Confident120 Ų12092.8 Ų92.878%0.77947%0.472SS*.THydrogen-bonded Turntrans-64.6-2.1-171.323.8-33.8000116.6K29 K31K29-P33 VanDerWaalsContact O-CA 3.25Å; K29-P33 WeakPolarHBondContact O-CA 2.84Å; K31-P33 VanDerWaalsContact C-CD 3.48Å; K31-P33 WeakPolarHBondContact O-CD 3.49Å
34G83.9Confident88.4Confident69 Ų6996.3 Ų96.371%0.71148%0.484SS*.THydrogen-bonded Turntrans-130.72.5173.600000114.5H32H32-G34 PolarHBondContact O-N 3.23Å
35E84.5Confident88.4Confident114 Ų114101.4 Ų101.453%0.53351%0.505SS..  trans-86.6120.9-176.2-167.7155.8-17200110.7H32 I37H32-E35 HydrophobicContact CB-CB 3.64Å; H32-E35 IonicContact CE1-OE2 2.89Å; H32-E35 IonicContact CG-OE2 2.65Å; H32-E35 IonicContact ND1-OE2 3.53Å; H32-E35 PolarHBondContact ND1-OE2 3Å; H32-E35 PolarHBondContact O-N 2.55Å; H32-E35 VanDerWaalsContact O-N 3.15Å; E35-I37 PolarHBondContact O-N 3.12Å
36Q80.4Confident88.6Confident174 Ų17495.2 Ų95.281%0.81348%0.481SS*.  trans-72104.6177.6-70.3-68.1103.800109.5V38Q36-V38 PolarHBondContact O-N 3.09Å; Q36-V38 VanDerWaalsContact O-N 3.08Å
37I80.3Confident88.6Confident45 Ų4591 Ų9123%0.23147%0.468CS..  trans-63.1110.1174.9-58.8174.4000109.2R25 H28 K29 E35 F39 F42R25-I37 HydrophobicContact CG-CD1 4.19Å; H28-I37 HydrophobicContact CB-CD1 3.85Å; H28-I37 WeakPolarHBondContact ND1-CD1 3.41Å; H28-I37 WeakPolarHBondContact ND1-CG1 3.48Å; K29-I37 HydrophobicContact CG-CD1 4.39Å; E35-I37 PolarHBondContact O-N 3.12Å; I37-F39 PolarHBondContact O-N 3.2Å; I37-F39 VanDerWaalsContact O-N 3.15Å; I37-F42 HydrophobicContact CG2-CB 3.3Å; I37-F42 HydrophobicContact CG2-CD1 4.18Å; I37-F42 HydrophobicContact CG2-CD2 3.53Å; I37-F42 HydrophobicContact CG2-CE2 4.39Å; I37-F42 HydrophobicContact CG2-CG 3.41Å; I37-F42 VanDerWaalsContact CG2-CG 3.41Å
38V87.7Confident88.8Confident88 Ų8892.8 Ų92.853%0.53348%0.476SS..  trans-66111.9169.9-179.50000108.5Q36 S40 D41 F42Q36-V38 PolarHBondContact O-N 3.09Å; Q36-V38 VanDerWaalsContact O-N 3.08Å; V38-S40 PolarHBondContact O-N 3.12Å; V38-S40 VanDerWaalsContact O-N 3.16Å; V38-D41 PolarHBondContact O-N 3.39Å; V38-D41 VanDerWaalsContact O-N 3.13Å; V38-F42 WeakPolarHBondContact O-CB 3.07Å; V38-F42 PolarHBondContact O-N 3.04Å
39F87.7Confident89Confident164 Ų16497 Ų9772%0.71949%0.49SS*.Hα-helixtrans-55.1-37.2-174.1176.4-102.5000113.2I37 S43I37-F39 PolarHBondContact O-N 3.2Å; I37-F39 VanDerWaalsContact O-N 3.15Å; F39-S43 WeakPolarHBondContact O-CB 3.4Å; F39-S43 PolarHBondContact O-N 3.02Å
40S90.8Very high89.3Confident59 Ų5993.9 Ų93.941%0.41348%0.475SS..Hα-helixtrans-58.4-53.4176.4163.50000111.9V38 S43 K44V38-S40 PolarHBondContact O-N 3.12Å; V38-S40 VanDerWaalsContact O-N 3.16Å; S40-S43 PolarHBondContact O-N 3.29Å; S40-K44 WeakPolarHBondContact O-CG 3.38Å; S40-K44 PolarHBondContact O-N 3.46Å
41D90.9Very high89.4Confident78 Ų7893 Ų9342%0.41747%0.471SS..Hα-helixtrans-72.4-36.8-174.8-60.3-22.8000111.2V38 K44 K45V38-D41 PolarHBondContact O-N 3.39Å; V38-D41 VanDerWaalsContact O-N 3.13Å; D41-K44 PolarHBondContact O-N 3.17Å; D41-K45 WeakPolarHBondContact O-CB 3.09Å; D41-K45 VanDerWaalsContact O-CG 3.32Å; D41-K45 WeakPolarHBondContact O-CG 3.42Å; D41-K45 PolarHBondContact O-N 2.86Å
42F90.7Very high89.6Confident15 Ų1593.8 Ų93.87%0.06648%0.481CS..Hα-helixtrans-62.9-44.6173-177-104.4000112.4V21 I24 R25 I37 V38 K44 K45 C46V21-F42 HydrophobicContact CG1-CE1 3.8Å; V21-F42 HydrophobicContact CG1-CZ 4.49Å; I24-F42 HydrophobicContact CB-CZ 4.35Å; I24-F42 HydrophobicContact CG2-CE2 3.75Å; I24-F42 HydrophobicContact CG2-CZ 3.96Å; R25-F42 HydrophobicContact CB-CE1 4.09Å; R25-F42 HydrophobicContact CB-CE2 4.43Å; R25-F42 HydrophobicContact CB-CZ 3.59Å; R25-F42 HydrophobicContact CG-CE1 4.39Å; R25-F42 HydrophobicContact CG-CZ 4.15Å; I37-F42 HydrophobicContact CG2-CB 3.3Å; I37-F42 HydrophobicContact CG2-CD1 4.18Å; I37-F42 HydrophobicContact CG2-CD2 3.53Å; I37-F42 HydrophobicContact CG2-CE2 4.39Å; I37-F42 HydrophobicContact CG2-CG 3.41Å; I37-F42 VanDerWaalsContact CG2-CG 3.41Å; V38-F42 WeakPolarHBondContact O-CB 3.07Å; V38-F42 PolarHBondContact O-N 3.04Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.48Å; F42-K45 PolarHBondContact O-N 3.27Å; F42-C46 VanDerWaalsContact CZ-SG 3.53Å; F42-C46 WeakPolarHBondContact O-CB 3.48Å; F42-C46 PolarHBondContact O-N 2.87Å; F42-C46 PolarHBondContact O-SG 3.14Å; F42-C46 VanDerWaalsContact O-SG 3.4Å
43S90.2Very high89.9Confident46 Ų4690.8 Ų90.832%0.32247%0.467SS..Hα-helixtrans-61.2-40.3176.8-174.80000111.4F39 S40 A47F39-S43 WeakPolarHBondContact O-CB 3.4Å; F39-S43 PolarHBondContact O-N 3.02Å; S40-S43 PolarHBondContact O-N 3.29Å; S43-A47 WeakPolarHBondContact O-CB 3.42Å; S43-A47 PolarHBondContact O-N 3.32Å
44K93.7Very high90.3Very high119 Ų11988.2 Ų88.252%0.51745%0.45SS..Hα-helixtrans-63.8-49.9174.8-68.6172.8-169.6172.60111.4S40 D41 F42 C46 A47 E48S40-K44 WeakPolarHBondContact O-CG 3.38Å; S40-K44 PolarHBondContact O-N 3.46Å; D41-K44 PolarHBondContact O-N 3.17Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.48Å; K44-C46 VanDerWaalsContact C-N 3.33Å; K44-C46 PolarHBondContact O-N 2.88Å; K44-A47 PolarHBondContact O-N 3.44Å; K44-A47 VanDerWaalsContact O-N 3.11Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.06Å
45K92.1Very high90.8Very high135 Ų13590.3 Ų90.359%0.58745%0.45SS*.Hα-helixtrans-57.1-43.3176.5-73.2176-177.7178.60112.3D41 F42 R49D41-K45 WeakPolarHBondContact O-CB 3.09Å; D41-K45 VanDerWaalsContact O-CG 3.32Å; D41-K45 WeakPolarHBondContact O-CG 3.42Å; D41-K45 PolarHBondContact O-N 2.86Å; F42-K45 PolarHBondContact O-N 3.27Å; K45-R49 VanDerWaalsContact O-CB 3.25Å; K45-R49 WeakPolarHBondContact O-CB 3.35Å; K45-R49 PolarHBondContact O-N 3.02Å
46C93.3Very high91.2Very high1 Ų193.5 Ų93.51%0.00746%0.462CS..Hα-helixtrans-62.9-45.2174.9-76.90000111.8Y17 F20 V21 F42 K44 R49 W50Y17-C46 HydrophobicContact CE2-CB 4.45Å; F20-C46 HydrophobicContact CE1-CB 3.9Å; F20-C46 VanDerWaalsContact CE1-O 3.28Å; F20-C46 WeakPolarHBondContact CE1-O 3.25Å; V21-C46 HydrophobicContact CG2-CB 4.05Å; F42-C46 VanDerWaalsContact CZ-SG 3.53Å; F42-C46 WeakPolarHBondContact O-CB 3.48Å; F42-C46 PolarHBondContact O-N 2.87Å; F42-C46 PolarHBondContact O-SG 3.14Å; F42-C46 VanDerWaalsContact O-SG 3.4Å; K44-C46 VanDerWaalsContact C-N 3.33Å; K44-C46 PolarHBondContact O-N 2.88Å; C46-R49 PolarHBondContact O-N 3.2Å; C46-W50 VanDerWaalsContact O-CB 3.26Å; C46-W50 WeakPolarHBondContact O-CB 3.47Å; C46-W50 PolarHBondContact O-N 2.95Å
47A93.3Very high91.8Very high34 Ų3489.4 Ų89.428%0.28144%0.443SS..Hα-helixtrans-64.5-44-18000000112.3S43 K44 K51S43-A47 WeakPolarHBondContact O-CB 3.42Å; S43-A47 PolarHBondContact O-N 3.32Å; K44-A47 PolarHBondContact O-N 3.44Å; K44-A47 VanDerWaalsContact O-N 3.11Å; A47-K51 VanDerWaalsContact O-CG 3.3Å; A47-K51 WeakPolarHBondContact O-CG 3.49Å; A47-K51 PolarHBondContact O-N 3.27Å; A47-K51 VanDerWaalsContact O-N 3.08Å
48E94.6Very high92.5Very high121 Ų12189.5 Ų89.557%0.56544%0.442SS*.Hα-helixtrans-61.8-48.9175.4-72.8169.2-169.700111.4K44 W50 K51 L52K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.06Å; E48-W50 PolarHBondContact O-N 2.97Å; E48-K51 WeakPolarHBondContact O-CB 3.29Å; E48-K51 PolarHBondContact O-N 3.37Å; E48-L52 WeakPolarHBondContact O-CG 3.18Å; E48-L52 PolarHBondContact O-N 3.18Å; E48-L52 VanDerWaalsContact O-N 3.13Å
49R92.3Very high92.9Very high139 Ų13991.2 Ų91.253%0.52544%0.442SS..Hα-helixtrans-60.5-47.5178-175.2169.5-172.378.9-0.9110.9F20 K45 C46 K51 L52 M53F20-R49 HydrophobicContact CE2-CG 4.1Å; F20-R49 HydrophobicContact CZ-CB 3.88Å; F20-R49 HydrophobicContact CZ-CG 3.74Å; K45-R49 VanDerWaalsContact O-CB 3.25Å; K45-R49 WeakPolarHBondContact O-CB 3.35Å; K45-R49 PolarHBondContact O-N 3.02Å; C46-R49 PolarHBondContact O-N 3.2Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 3.18Å; R49-M53 VanDerWaalsContact O-CG 3.26Å; R49-M53 WeakPolarHBondContact O-CG 3.48Å; R49-M53 PolarHBondContact O-N 3.27Å
50W95Very high93.2Very high50 Ų5090.2 Ų90.219%0.18943%0.434CS..Hα-helixtrans-58.8-35.9177.9-176.1-103.5000113.1A16 Y17 F20 C46 E48 M53 K58 F61A16-W50 HydrophobicContact CB-CH2 3.8Å; A16-W50 HydrophobicContact CB-CZ2 4.21Å; Y17-W50 HydrophobicContact CD2-CB 3.91Å; Y17-W50 AromaticContact CD2-CD1 3.9Å; Y17-W50 AromaticContact CD2-CD2 3.73Å; Y17-W50 HydrophobicContact CD2-CD2 3.73Å; Y17-W50 HydrophobicContact CD2-CE3 4.22Å; Y17-W50 AromaticContact CD2-CG 3.57Å; Y17-W50 HydrophobicContact CD2-CG 3.57Å; Y17-W50 HydrophobicContact CE2-CB 3.84Å; Y17-W50 HydrophobicContact CE2-CG 4.01Å; F20-W50 HydrophobicContact CB-CE3 3.72Å; F20-W50 HydrophobicContact CB-CZ3 3.57Å; F20-W50 HydrophobicContact CD1-CB 4.37Å; F20-W50 HydrophobicContact CD1-CD2 4.48Å; F20-W50 AromaticContact CD1-CE3 3.75Å; F20-W50 HydrophobicContact CD1-CE3 3.75Å; F20-W50 HydrophobicContact CD1-CZ3 4.48Å; F20-W50 HydrophobicContact CD2-CE3 4.01Å; F20-W50 HydrophobicContact CD2-CZ3 4.34Å; F20-W50 HydrophobicContact CE1-CB 4.08Å; F20-W50 HydrophobicContact CE1-CE3 4.39Å; F20-W50 AromaticContact CG-CE3 3.54Å; F20-W50 HydrophobicContact CG-CE3 3.54Å; F20-W50 AromaticContact CG-CZ3 3.89Å; F20-W50 HydrophobicContact CG-CZ3 3.89Å; C46-W50 VanDerWaalsContact O-CB 3.26Å; C46-W50 WeakPolarHBondContact O-CB 3.47Å; C46-W50 PolarHBondContact O-N 2.95Å; E48-W50 PolarHBondContact O-N 2.97Å; W50-M53 HydrophobicContact CE3-SD 3.98Å; W50-M53 HydrophobicContact CZ3-SD 4.37Å; W50-M53 PolarHBondContact O-N 3.39Å; W50-K58 HydrophobicContact CH2-CB 4.19Å; W50-K58 HydrophobicContact CH2-CG 3.89Å; W50-K58 HydrophobicContact CZ2-CD 4.22Å; W50-K58 HydrophobicContact CZ2-CG 4.02Å; W50-K58 HydrophobicContact CZ3-CG 4.14Å; W50-K58 WeakPolarHBondContact O-CE 3.35Å; W50-K58 PolarHBondContact O-NZ 2.91Å; W50-F61 HydrophobicContact CH2-CB 4.03Å; W50-F61 HydrophobicContact CH2-CD2 4.47Å; W50-F61 HydrophobicContact CZ3-CB 4.01Å; W50-F61 AromaticContact CZ3-CD2 3.74Å; W50-F61 HydrophobicContact CZ3-CD2 3.74Å; W50-F61 HydrophobicContact CZ3-CE2 4.5Å; W50-F61 HydrophobicContact CZ3-CG 4.05Å
51K94.4Very high93.5Very high166 Ų16687.4 Ų87.472%0.72241%0.414SS*.Hα-helixtrans-65.7-40.1174.7-73.8172.6-178.2-177.50112A47 E48 R49 M53A47-K51 VanDerWaalsContact O-CG 3.3Å; A47-K51 WeakPolarHBondContact O-CG 3.49Å; A47-K51 PolarHBondContact O-N 3.27Å; A47-K51 VanDerWaalsContact O-N 3.08Å; E48-K51 WeakPolarHBondContact O-CB 3.29Å; E48-K51 PolarHBondContact O-N 3.37Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.91Å; K51-M53 VanDerWaalsContact C-N 3.34Å
52L93.8Very high93.7Very high149 Ų14988.5 Ų88.578%0.7842%0.417SS*.Hα-helixtrans-75.3-18.9179.2-67.7169.9000113.9E48 R49E48-L52 WeakPolarHBondContact O-CG 3.18Å; E48-L52 PolarHBondContact O-N 3.18Å; E48-L52 VanDerWaalsContact O-N 3.13Å; R49-L52 PolarHBondContact O-N 3.18Å
53M92.5Very high94Very high20 Ų2091.8 Ų91.810%0.09944%0.435CS..SBendtrans-66.1137.3179.8-68.2-169.975.100112.3F20 R49 W50 K51 E57 K58 F61F20-M53 HydrophobicContact CD2-SD 3.67Å; F20-M53 HydrophobicContact CE2-SD 3.49Å; F20-M53 WeakPolarHBondContact CE2-SD 3.31Å; F20-M53 HydrophobicContact CZ-SD 4.3Å; R49-M53 VanDerWaalsContact O-CG 3.26Å; R49-M53 WeakPolarHBondContact O-CG 3.48Å; R49-M53 PolarHBondContact O-N 3.27Å; W50-M53 HydrophobicContact CE3-SD 3.98Å; W50-M53 HydrophobicContact CZ3-SD 4.37Å; W50-M53 PolarHBondContact O-N 3.39Å; K51-M53 VanDerWaalsContact C-N 3.34Å; M53-E57 HydrophobicContact CE-CB 3.23Å; M53-E57 HydrophobicContact CE-CG 4.23Å; M53-K58 HydrophobicContact CB-CG 4.02Å; M53-K58 VanDerWaalsContact O-CE 3.3Å; M53-K58 WeakPolarHBondContact O-CE 3.2Å; M53-K58 PolarHBondContact O-NZ 3.37Å; M53-K58 VanDerWaalsContact O-NZ 3.09Å; M53-F61 HydrophobicContact CE-CD2 4.09Å; M53-F61 HydrophobicContact CE-CE2 3.49Å; M53-F61 VanDerWaalsContact CE-CE2 3.49Å; M53-F61 HydrophobicContact SD-CD2 4.48Å; M53-F61 HydrophobicContact SD-CE2 3.98Å
54T94.7Very high94.2Very high67 Ų6792.8 Ų92.841%0.41144%0.436SS..  trans-69.5157.317563.50000111.3K56 E57 K58T54-K56 PolarHBondContact O-N 3.4Å; T54-E57 PolarHBondContact N-OE2 2.86Å; T54-E57 PolarHBondContact O-N 3.46Å; T54-E57 VanDerWaalsContact O-N 3.13Å; T54-E57 VanDerWaalsContact OG1-CG 3.26Å; T54-E57 WeakPolarHBondContact OG1-CG 3.37Å; T54-E57 PolarHBondContact OG1-N 3.22Å; T54-E57 PolarHBondContact OG1-OE2 3.43Å; T54-K58 WeakPolarHBondContact O-CG 3.2Å; T54-K58 PolarHBondContact O-N 3.04Å
55P93.7Very high94.4Very high112 Ų11287.6 Ų87.673%0.72742%0.416SS*.Hα-helixtrans-57.7-33.217522.4-33.9000112.6K58 K59P55-K58 PolarHBondContact O-N 3.26Å; P55-K59 WeakPolarHBondContact O-CB 3.47Å; P55-K59 PolarHBondContact O-N 2.87Å
56K93.4Very high94.5Very high181 Ų18184.7 Ų84.779%0.78741%0.409SS*.Hα-helixtrans-64.1-40.7176.6-173.9178179.7-179.50112.2T54 K59T54-K56 PolarHBondContact O-N 3.4Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å
57E92.6Very high94.6Very high88 Ų8889.6 Ų89.641%0.41144%0.435SS..Hα-helixtrans-77.2-33.7177.8-59.1162.9117.400112M53 T54 K59 R60 F61M53-E57 HydrophobicContact CE-CB 3.23Å; M53-E57 HydrophobicContact CE-CG 4.23Å; T54-E57 PolarHBondContact N-OE2 2.86Å; T54-E57 PolarHBondContact O-N 3.46Å; T54-E57 VanDerWaalsContact O-N 3.13Å; T54-E57 VanDerWaalsContact OG1-CG 3.26Å; T54-E57 WeakPolarHBondContact OG1-CG 3.37Å; T54-E57 PolarHBondContact OG1-N 3.22Å; T54-E57 PolarHBondContact OG1-OE2 3.43Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-R60 WeakPolarHBondContact O-CB 3.35Å; E57-R60 PolarHBondContact O-N 2.83Å; E57-F61 WeakPolarHBondContact O-CD2 3.05Å
58K95.1Very high94.7Very high48 Ų4888.8 Ų88.821%0.20943%0.426CS..Hα-helixtrans-62.9-37.7172.1-73.9176176.1154.90111.7W50 M53 T54 P55 R60 F61 E62W50-K58 HydrophobicContact CH2-CB 4.19Å; W50-K58 HydrophobicContact CH2-CG 3.89Å; W50-K58 HydrophobicContact CZ2-CD 4.22Å; W50-K58 HydrophobicContact CZ2-CG 4.02Å; W50-K58 HydrophobicContact CZ3-CG 4.14Å; W50-K58 WeakPolarHBondContact O-CE 3.35Å; W50-K58 PolarHBondContact O-NZ 2.91Å; M53-K58 HydrophobicContact CB-CG 4.02Å; M53-K58 VanDerWaalsContact O-CE 3.3Å; M53-K58 WeakPolarHBondContact O-CE 3.2Å; M53-K58 PolarHBondContact O-NZ 3.37Å; M53-K58 VanDerWaalsContact O-NZ 3.09Å; T54-K58 WeakPolarHBondContact O-CG 3.2Å; T54-K58 PolarHBondContact O-N 3.04Å; P55-K58 PolarHBondContact O-N 3.26Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 PolarHBondContact O-N 2.98Å; K58-F61 CarbonylContact O-C 3.51Å; K58-F61 WeakPolarHBondContact O-CA 3.15Å; K58-F61 WeakPolarHBondContact O-CB 3.44Å; K58-F61 PolarHBondContact O-N 3.47Å; K58-E62 PolarHBondContact O-N 2.9Å
59K96.1Very high94.6Very high123 Ų12389.6 Ų89.654%0.53542%0.423SS..Hα-helixtrans-53.1-41.4176.1-174.9170.4-178.11690112.4P55 K56 E57 F61 E62 D63P55-K59 WeakPolarHBondContact O-CB 3.47Å; P55-K59 PolarHBondContact O-N 2.87Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; E57-K59 VanDerWaalsContact C-N 3.3Å; K59-F61 PolarHBondContact O-N 3.35Å; K59-E62 WeakPolarHBondContact O-CB 3.35Å; K59-E62 PolarHBondContact O-N 3.49Å; K59-D63 VanDerWaalsContact O-CG 3.25Å; K59-D63 PolarHBondContact O-N 2.8Å
60R94.9Very high94.7Very high143 Ų14388 Ų8854%0.5442%0.422SS..Hα-helixtrans-54.1-39.8174-177179.871.4155.6-1.4112.4E57 K58 L64E57-R60 WeakPolarHBondContact O-CB 3.35Å; E57-R60 PolarHBondContact O-N 2.83Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 PolarHBondContact O-N 2.98Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 3.41Å; R60-L64 VanDerWaalsContact O-N 3.13Å
61F96.7Very high94.6Very high1 Ų188.6 Ų88.60%0.00442%0.424CS..Hα-helixtrans-81.8-27.7179.3-63.7-70.4000113.1A16 C19 F20 V23 W50 M53 E57 K58 K59 L64 A65A16-F61 WeakPolarHBondContact CA-O 3.29Å; A16-F61 HydrophobicContact CB-CB 4.05Å; A16-F61 WeakPolarHBondContact CB-O 3.34Å; A16-F61 WeakPolarHBondContact O-CB 3.45Å; C19-F61 HydrophobicContact CB-CD1 4.26Å; F20-F61 VanDerWaalsContact CA-CD1 3.49Å; F20-F61 HydrophobicContact CB-CD1 3.74Å; F20-F61 HydrophobicContact CB-CD2 4.09Å; F20-F61 HydrophobicContact CB-CE1 3.82Å; F20-F61 HydrophobicContact CB-CE2 4.14Å; F20-F61 HydrophobicContact CB-CG 3.87Å; F20-F61 HydrophobicContact CB-CZ 3.98Å; F20-F61 HydrophobicContact CD2-CD2 4.29Å; F20-F61 HydrophobicContact CD2-CE1 4.2Å; F20-F61 AromaticContact CD2-CE2 3.62Å; F20-F61 HydrophobicContact CD2-CE2 3.62Å; F20-F61 AromaticContact CD2-CZ 3.54Å; F20-F61 HydrophobicContact CD2-CZ 3.54Å; F20-F61 HydrophobicContact CG-CE2 4.35Å; F20-F61 HydrophobicContact CG-CZ 4.25Å; V23-F61 HydrophobicContact CB-CE1 4.08Å; V23-F61 HydrophobicContact CG1-CE1 4.48Å; V23-F61 HydrophobicContact CG2-CE1 3.96Å; W50-F61 HydrophobicContact CH2-CB 4.03Å; W50-F61 HydrophobicContact CH2-CD2 4.47Å; W50-F61 HydrophobicContact CZ3-CB 4.01Å; W50-F61 AromaticContact CZ3-CD2 3.74Å; W50-F61 HydrophobicContact CZ3-CD2 3.74Å; W50-F61 HydrophobicContact CZ3-CE2 4.5Å; W50-F61 HydrophobicContact CZ3-CG 4.05Å; M53-F61 HydrophobicContact CE-CD2 4.09Å; M53-F61 HydrophobicContact CE-CE2 3.49Å; M53-F61 VanDerWaalsContact CE-CE2 3.49Å; M53-F61 HydrophobicContact SD-CD2 4.48Å; M53-F61 HydrophobicContact SD-CE2 3.98Å; E57-F61 WeakPolarHBondContact O-CD2 3.05Å; K58-F61 CarbonylContact O-C 3.51Å; K58-F61 WeakPolarHBondContact O-CA 3.15Å; K58-F61 WeakPolarHBondContact O-CB 3.44Å; K58-F61 PolarHBondContact O-N 3.47Å; K59-F61 PolarHBondContact O-N 3.35Å; F61-L64 HydrophobicContact CD1-CD1 3.91Å; F61-L64 HydrophobicContact CE1-CD1 4.33Å; F61-L64 PolarHBondContact O-N 3.22Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.48Å
62E95.6Very high94.6Very high101 Ų10181.9 Ų81.947%0.47240%0.395SS..Hα-helixtrans-63.6-44.5168.7-67169.3177.300110.5A16 K58 K59 A65 V66A16-E62 HydrophobicContact CB-CB 4.49Å; A16-E62 HydrophobicContact CB-CG 3.87Å; K58-E62 PolarHBondContact O-N 2.9Å; K59-E62 WeakPolarHBondContact O-CB 3.35Å; K59-E62 PolarHBondContact O-N 3.49Å; E62-A65 WeakPolarHBondContact O-CB 3.19Å; E62-A65 PolarHBondContact O-N 2.72Å; E62-A65 VanDerWaalsContact O-N 3.12Å; E62-V66 WeakPolarHBondContact O-CG2 3.2Å; E62-V66 PolarHBondContact O-N 2.82Å
63D96.3Very high94.4Very high84 Ų8477.6 Ų77.645%0.44937%0.373SS..Hα-helixtrans-61.5-44.8174.8-62.1-25.9000110.9K59 A65 V66 L67K59-D63 VanDerWaalsContact O-CG 3.25Å; K59-D63 PolarHBondContact O-N 2.8Å; D63-A65 VanDerWaalsContact C-N 3.29Å; D63-A65 PolarHBondContact O-N 3.37Å; D63-V66 WeakPolarHBondContact O-CB 3.44Å; D63-V66 PolarHBondContact O-N 3.06Å; D63-V66 VanDerWaalsContact O-N 3.16Å; D63-L67 WeakPolarHBondContact O-CG 3.33Å; D63-L67 PolarHBondContact O-N 2.75Å
64L95.3Very high94.3Very high66 Ų6683.6 Ų83.635%0.34639%0.394SS..Hα-helixtrans-60.4-37172.7-73.8171.5000112.7C19 R60 F61 V66 L67 D68C19-L64 HydrophobicContact CB-CB 4.05Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 3.41Å; R60-L64 VanDerWaalsContact O-N 3.13Å; F61-L64 HydrophobicContact CD1-CD1 3.91Å; F61-L64 HydrophobicContact CE1-CD1 4.33Å; F61-L64 PolarHBondContact O-N 3.22Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-L67 PolarHBondContact O-N 3.31Å; L64-D68 WeakPolarHBondContact O-CB 3.31Å; L64-D68 PolarHBondContact O-N 3.02Å
65A96.3Very high94.2Very high10 Ų1083.8 Ų83.88%0.08339%0.391CS..Hα-helixtrans-71-29.8176.800000112.7M14 A16 F61 E62 D63 R69M14-A65 WeakPolarHBondContact O-CB 3.31Å; A16-A65 HydrophobicContact CB-CB 4.3Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.48Å; E62-A65 WeakPolarHBondContact O-CB 3.19Å; E62-A65 PolarHBondContact O-N 2.72Å; E62-A65 VanDerWaalsContact O-N 3.12Å; D63-A65 VanDerWaalsContact C-N 3.29Å; D63-A65 PolarHBondContact O-N 3.37Å; A65-R69 WeakPolarHBondContact O-CB 3.13Å; A65-R69 PolarHBondContact O-N 2.93Å
66V95.5Very high93.9Very high75 Ų7580.5 Ų80.546%0.45537%0.366SS..Hα-helixtrans-65.7-49.4169.8172.90000109.8E62 D63 L64 D68 R69 E70E62-V66 WeakPolarHBondContact O-CG2 3.2Å; E62-V66 PolarHBondContact O-N 2.82Å; D63-V66 WeakPolarHBondContact O-CB 3.44Å; D63-V66 PolarHBondContact O-N 3.06Å; D63-V66 VanDerWaalsContact O-N 3.16Å; L64-V66 VanDerWaalsContact C-N 3.34Å; V66-D68 VanDerWaalsContact C-N 3.33Å; V66-D68 PolarHBondContact O-N 3.11Å; V66-R69 WeakPolarHBondContact O-CB 3.43Å; V66-R69 PolarHBondContact O-N 3.45Å; V66-R69 VanDerWaalsContact O-N 3.13Å; V66-E70 PolarHBondContact O-N 3.45Å
67L95.2Very high93.4Very high104 Ų10476 Ų7655%0.54536%0.357SS..Hα-helixtrans-60.3-40.6176-66.1175.2000112.3D63 L64 R69 E70 R71D63-L67 WeakPolarHBondContact O-CG 3.33Å; D63-L67 PolarHBondContact O-N 2.75Å; L64-L67 PolarHBondContact O-N 3.31Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.9Å; L67-E70 WeakPolarHBondContact O-CB 3.49Å; L67-E70 PolarHBondContact O-N 2.89Å; L67-E70 VanDerWaalsContact O-N 3.16Å; L67-R71 PolarHBondContact O-N 2.86Å
68D95.3Very high93.1Very high16 Ų1677.8 Ų77.89%0.08637%0.369CS..Hα-helixtrans-66.8-34.4177.1-165.997.3000112.2P13 M14 L64 V66 E70 R71 F72P13-D68 VanDerWaalsContact CA-OD2 3.31Å; P13-D68 WeakPolarHBondContact CA-OD2 3.24Å; M14-D68 HydrophobicContact CB-CB 4.1Å; M14-D68 WeakPolarHBondContact CB-OD2 3.48Å; M14-D68 WeakPolarHBondContact CG-OD2 3.44Å; M14-D68 PolarHBondContact N-OD2 2.95Å; L64-D68 WeakPolarHBondContact O-CB 3.31Å; L64-D68 PolarHBondContact O-N 3.02Å; V66-D68 VanDerWaalsContact C-N 3.33Å; V66-D68 PolarHBondContact O-N 3.11Å; D68-E70 VanDerWaalsContact C-N 3.32Å; D68-R71 WeakPolarHBondContact O-CB 3.48Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 IonicContact OD1-CZ 2.6Å; D68-R71 VanDerWaalsContact OD1-CZ 3.25Å; D68-R71 IonicContact OD1-NH1 3.4Å; D68-R71 PolarHBondContact OD1-NH1 3.22Å; D68-R71 IonicContact OD1-NH2 3.7Å; D68-R71 PolarHBondContact OD1-NH2 3.25Å; D68-R71 IonicContact OD2-CZ 3.59Å; D68-R71 IonicContact OD2-NH1 3.25Å; D68-R71 IonicContact OD2-NH2 2.75Å; D68-R71 PolarHBondContact OD2-NH2 3.44Å; D68-F72 WeakPolarHBondContact O-CB 3.31Å; D68-F72 PolarHBondContact O-N 3.11Å
69R93Very high92.7Very high138 Ų13876.9 Ų76.952%0.52137%0.365SS..Hα-helixtrans-62.9-39.9171.3-174.8-177.7-63.71791.9111.7P13 A65 V66 L67 N73P13-R69 HydrophobicContact CB-CB 4.11Å; P13-R69 HydrophobicContact CB-CG 4.36Å; A65-R69 WeakPolarHBondContact O-CB 3.13Å; A65-R69 PolarHBondContact O-N 2.93Å; V66-R69 WeakPolarHBondContact O-CB 3.43Å; V66-R69 PolarHBondContact O-N 3.45Å; V66-R69 VanDerWaalsContact O-N 3.13Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.9Å; R69-N73 WeakPolarHBondContact O-CB 3.43Å; R69-N73 PolarHBondContact O-N 3.33Å; R69-N73 PolarHBondContact O-ND2 2.93Å
70E93Very high92Very high105 Ų10576.2 Ų76.249%0.49137%0.371SS..Hα-helixtrans-66.3-44.2174.3-67.1171.9-178.800111.8V66 L67 D68 F72 N73 R74V66-E70 PolarHBondContact O-N 3.45Å; L67-E70 WeakPolarHBondContact O-CB 3.49Å; L67-E70 PolarHBondContact O-N 2.89Å; L67-E70 VanDerWaalsContact O-N 3.16Å; D68-E70 VanDerWaalsContact C-N 3.32Å; E70-F72 PolarHBondContact O-N 2.99Å; E70-N73 PolarHBondContact O-N 3.4Å; E70-R74 PolarHBondContact O-N 3.12Å
71R94Very high91.5Very high64 Ų6470.4 Ų70.424%0.24235%0.351CS..Hα-helixtrans-52.5-54.6172-175.9-148.370.6-132.4-21.9110.7K11 L67 D68 N73 R74 E75K11-R71 PolarHBondContact O-NH2 2.93Å; L67-R71 PolarHBondContact O-N 2.86Å; D68-R71 WeakPolarHBondContact O-CB 3.48Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 IonicContact OD1-CZ 2.6Å; D68-R71 VanDerWaalsContact OD1-CZ 3.25Å; D68-R71 IonicContact OD1-NH1 3.4Å; D68-R71 PolarHBondContact OD1-NH1 3.22Å; D68-R71 IonicContact OD1-NH2 3.7Å; D68-R71 PolarHBondContact OD1-NH2 3.25Å; D68-R71 IonicContact OD2-CZ 3.59Å; D68-R71 IonicContact OD2-NH1 3.25Å; D68-R71 IonicContact OD2-NH2 2.75Å; D68-R71 PolarHBondContact OD2-NH2 3.44Å; R71-N73 VanDerWaalsContact C-N 3.31Å; R71-N73 PolarHBondContact O-N 2.83Å; R71-R74 PolarHBondContact O-N 3.13Å; R71-E75 WeakPolarHBondContact CD-OE1 3.06Å; R71-E75 HydrophobicContact CG-CG 4.44Å; R71-E75 VanDerWaalsContact CG-OE1 3.25Å; R71-E75 WeakPolarHBondContact CG-OE1 3.16Å; R71-E75 IonicContact NE-OE1 3.76Å; R71-E75 PolarHBondContact NE-OE1 2.89Å; R71-E75 IonicContact NE-OE2 3.47Å; R71-E75 PolarHBondContact NE-OE2 3.17Å; R71-E75 WeakPolarHBondContact O-CG 3.15Å; R71-E75 PolarHBondContact O-N 3.11Å
72F94.2Very high90.8Very high25 Ų2573 Ų7311%0.1137%0.368CS..Hα-helixtrans-60.4-41.1-179.6175.8-106.7000112.3P10 K11 G12 P13 D68 E70 R74 M76P10-F72 HydrophobicContact CB-CD2 4.03Å; P10-F72 HydrophobicContact CB-CE2 4.01Å; P10-F72 WeakPolarHBondContact O-CE2 3.37Å; K11-F72 WeakPolarHBondContact O-CD2 3.46Å; G12-F72 VanDerWaalsContact CA-CE2 3.47Å; P13-F72 HydrophobicContact CB-CB 3.95Å; P13-F72 HydrophobicContact CB-CD1 4.24Å; P13-F72 HydrophobicContact CB-CG 4.23Å; P13-F72 VanDerWaalsContact CD-CD1 3.48Å; P13-F72 HydrophobicContact CG-CD1 4Å; P13-F72 HydrophobicContact CG-CG 4.39Å; D68-F72 WeakPolarHBondContact O-CB 3.31Å; D68-F72 PolarHBondContact O-N 3.11Å; E70-F72 PolarHBondContact O-N 2.99Å; F72-R74 VanDerWaalsContact C-N 3.34Å; F72-M76 HydrophobicContact CD1-CG 4.1Å; F72-M76 HydrophobicContact CD2-CG 3.82Å; F72-M76 HydrophobicContact CE1-CG 3.67Å; F72-M76 HydrophobicContact CE2-CG 3.37Å; F72-M76 HydrophobicContact CE2-SD 3.75Å; F72-M76 HydrophobicContact CG-CG 4.22Å; F72-M76 HydrophobicContact CZ-CG 3.31Å; F72-M76 HydrophobicContact CZ-SD 3.74Å; F72-M76 WeakPolarHBondContact O-CB 3.39Å; F72-M76 WeakPolarHBondContact O-CG 3.38Å; F72-M76 PolarHBondContact O-N 2.86Å
73N89.6Confident90Very high59 Ų5976.4 Ų76.432%0.31639%0.39SS..Hα-helixtrans-63.4-41.2178.3-72.6-21000111.6R69 E70 R71 M76 C77R69-N73 WeakPolarHBondContact O-CB 3.43Å; R69-N73 PolarHBondContact O-N 3.33Å; R69-N73 PolarHBondContact O-ND2 2.93Å; E70-N73 PolarHBondContact O-N 3.4Å; R71-N73 VanDerWaalsContact C-N 3.31Å; R71-N73 PolarHBondContact O-N 2.83Å; N73-M76 PolarHBondContact O-N 3.29Å; N73-C77 PolarHBondContact O-N 2.99Å; N73-C77 VanDerWaalsContact O-N 3.14Å; N73-C77 PolarHBondContact O-SG 2.5Å
74R90.1Very high89.2Confident145 Ų14575.9 Ų75.955%0.54740%0.404SS..Hα-helixtrans-63.3-53.8176.2-177.9176.661.4-104.60.1111.3E70 R71 F72 M76 C77E70-R74 PolarHBondContact O-N 3.12Å; R71-R74 PolarHBondContact O-N 3.13Å; F72-R74 VanDerWaalsContact C-N 3.34Å; R74-M76 PolarHBondContact O-N 2.89Å; R74-C77 WeakPolarHBondContact O-CB 2.94Å; R74-C77 PolarHBondContact O-N 2.94Å
75E92.5Very high88.2Confident71 Ų7176.8 Ų76.833%0.33241%0.407SS..Hα-helixtrans-58.8-35.6178-67.7169.8-179.500112.2P10 R71 C77 D78 Y79P10-E75 HydrophobicContact CB-CB 3.73Å; P10-E75 HydrophobicContact CG-CB 3.69Å; R71-E75 WeakPolarHBondContact CD-OE1 3.06Å; R71-E75 HydrophobicContact CG-CG 4.44Å; R71-E75 VanDerWaalsContact CG-OE1 3.25Å; R71-E75 WeakPolarHBondContact CG-OE1 3.16Å; R71-E75 IonicContact NE-OE1 3.76Å; R71-E75 PolarHBondContact NE-OE1 2.89Å; R71-E75 IonicContact NE-OE2 3.47Å; R71-E75 PolarHBondContact NE-OE2 3.17Å; R71-E75 WeakPolarHBondContact O-CG 3.15Å; R71-E75 PolarHBondContact O-N 3.11Å; E75-C77 VanDerWaalsContact C-N 3.33Å; E75-C77 PolarHBondContact O-N 3.27Å; E75-D78 PolarHBondContact O-N 3.19Å; E75-Y79 WeakPolarHBondContact O-CB 3.47Å; E75-Y79 PolarHBondContact O-N 3.13Å
76M86.7Confident86.9Confident44 Ų4486.1 Ų86.122%0.21745%0.446CS..Hα-helixtrans-73-20.2176.6-79.3-64.4-46.800114.4P10 F72 N73 R74 Y79P10-M76 HydrophobicContact CB-CG 4.19Å; P10-M76 HydrophobicContact CB-SD 4.03Å; P10-M76 HydrophobicContact CG-CG 4.32Å; P10-M76 HydrophobicContact CG-SD 3.93Å; F72-M76 HydrophobicContact CD1-CG 4.1Å; F72-M76 HydrophobicContact CD2-CG 3.82Å; F72-M76 HydrophobicContact CE1-CG 3.67Å; F72-M76 HydrophobicContact CE2-CG 3.37Å; F72-M76 HydrophobicContact CE2-SD 3.75Å; F72-M76 HydrophobicContact CG-CG 4.22Å; F72-M76 HydrophobicContact CZ-CG 3.31Å; F72-M76 HydrophobicContact CZ-SD 3.74Å; F72-M76 WeakPolarHBondContact O-CB 3.39Å; F72-M76 WeakPolarHBondContact O-CG 3.38Å; F72-M76 PolarHBondContact O-N 2.86Å; N73-M76 PolarHBondContact O-N 3.29Å; R74-M76 PolarHBondContact O-N 2.89Å; M76-Y79 HydrophobicContact CE-CD1 3.88Å; M76-Y79 HydrophobicContact SD-CD1 4.04Å
77C84.6Confident85.6Confident87 Ų8790.1 Ų90.159%0.58846%0.457SS*.Hα-helixtrans-66.8-47.3172.1-74.80000110N73 R74 E75 K90N73-C77 PolarHBondContact O-N 2.99Å; N73-C77 VanDerWaalsContact O-N 3.14Å; N73-C77 PolarHBondContact O-SG 2.5Å; R74-C77 WeakPolarHBondContact O-CB 2.94Å; R74-C77 PolarHBondContact O-N 2.94Å; E75-C77 VanDerWaalsContact C-N 3.33Å; E75-C77 PolarHBondContact O-N 3.27Å; C77-K90 PolarHBondContact O-NZ 3.45Å
78D84.2Confident84.3Confident125 Ų12587.8 Ų87.867%0.66846%0.459SS*.Hα-helixtrans-79.1-24.2-176.2-52.7-27.8000112.4E75 V80E75-D78 PolarHBondContact O-N 3.19Å; D78-V80 PolarHBondContact O-N 3.19Å
79Y86.9Confident82.9Confident29 Ų2996.9 Ų96.911%0.11450%0.497CS..  trans-63.7118.5178.7173.4-114.6000112.9D6 N8 K9 P10 E75 M76 P81D6-Y79 WeakPolarHBondContact OD2-CE2 3.35Å; D6-Y79 PolarHBondContact OD2-OH 2.87Å; N8-Y79 WeakPolarHBondContact O-CD2 3.48Å; K9-Y79 HydrophobicContact CB-CE1 4.3Å; K9-Y79 HydrophobicContact CB-CE2 4.02Å; K9-Y79 HydrophobicContact CD-CE1 4.33Å; K9-Y79 HydrophobicContact CG-CE1 3.91Å; K9-Y79 HydrophobicContact CG-CE2 4.48Å; P10-Y79 VanDerWaalsContact CD-CG 3.4Å; P10-Y79 HydrophobicContact CG-CG 4.13Å; E75-Y79 WeakPolarHBondContact O-CB 3.47Å; E75-Y79 PolarHBondContact O-N 3.13Å; M76-Y79 HydrophobicContact CE-CD1 3.88Å; M76-Y79 HydrophobicContact SD-CD1 4.04Å; Y79-P81 HydrophobicContact CD1-CG 4.2Å; Y79-P81 HydrophobicContact CE1-CB 4.27Å; Y79-P81 HydrophobicContact CE1-CG 3.64Å
80V83.1Confident81.7Confident109 Ų10996.2 Ų96.266%0.66150%0.498SS*.  trans-101.4114.9169.8-176.80000108.7D78D78-V80 PolarHBondContact O-N 3.19Å
81P82.7Confident80.3Confident20 Ų20100 Ų10013%0.1351%0.508CS..PPolyproline II helixtrans-62.8137172.8-24.436.3000110.9Y79 K87Y79-P81 HydrophobicContact CD1-CG 4.2Å; Y79-P81 HydrophobicContact CE1-CB 4.27Å; Y79-P81 HydrophobicContact CE1-CG 3.64Å; P81-K87 HydrophobicContact CB-CG 4.19Å; P81-K87 HydrophobicContact CG-CB 4.46Å; P81-K87 HydrophobicContact CG-CG 3.91Å
82P82.6Confident79.1Confident57 Ų57106.2 Ų106.237%0.3754%0.537SS..PPolyproline II helixtrans-53.1150.6173.1-26.433000112.2D6 G84 M85D6-P82 WeakPolarHBondContact OD2-CD 3.03Å; P82-G84 PolarHBondContact O-N 2.75Å; P82-M85 PolarHBondContact O-N 2.84Å; P82-M85 VanDerWaalsContact O-N 3.11Å
83D79.3Confident77.6Confident172 Ų172107.4 Ų107.492%0.9256%0.556SS**THydrogen-bonded Turntrans-59.5138.4179.4-165.522.4000111.1M85D83-M85 VanDerWaalsContact C-N 3.35Å; D83-M85 PolarHBondContact O-N 2.91Å
84G78.7Confident76.1Confident72 Ų72110.7 Ų110.774%0.74258%0.58SS**THydrogen-bonded Turntrans83.6-12.2-172.600000116.6P82P82-G84 PolarHBondContact O-N 2.75Å
85M74.4Confident75Confident86 Ų86113.2 Ų113.242%0.42460%0.596SS.*SBendtrans-84.8127.5168.4-90.269.7-166.800110.5P82 D83 K87P82-M85 PolarHBondContact O-N 2.84Å; P82-M85 VanDerWaalsContact O-N 3.11Å; D83-M85 VanDerWaalsContact C-N 3.35Å; D83-M85 PolarHBondContact O-N 2.91Å; M85-K87 PolarHBondContact O-N 2.96Å
86K70.3Confident74.1Confident206 Ų206113.3 Ų113.390%0.89660%0.598SS**  trans-55.4108.9174.9-67.7-173.7179.9-175.70109.6G88K86-G88 PolarHBondContact O-N 2.74Å
87K67.6Low73.5Confident159 Ų159116.2 Ų116.269%0.69162%0.62SS**  trans-53.3106.4168.9-67.2-175.4175.3170.90107.3P81 M85P81-K87 HydrophobicContact CB-CG 4.19Å; P81-K87 HydrophobicContact CG-CB 4.46Å; P81-K87 HydrophobicContact CG-CG 3.91Å; M85-K87 PolarHBondContact O-N 2.96Å
88G66.8Low73.4Confident55 Ų55115 Ų11557%0.56761%0.61SS**  trans-58.8147173.100000109.1K86 K90K86-G88 PolarHBondContact O-N 2.74Å; G88-K90 PolarHBondContact O-N 2.82Å
89K65.6Low73.5Confident207 Ų207111.9 Ų111.990%0.960%0.596SS**  trans-52.1108177-175.3171.1-177.8171.20109.2R91K89-R91 PolarHBondContact O-N 3.37Å; K89-R91 VanDerWaalsContact O-N 3.13Å
90K68.9Low73.6Confident123 Ų123110.7 Ų110.754%0.53559%0.592SS.*PPolyproline II helixtrans-54.1122174.7-76-164.1174.4-169.80107.2C77 G88 K92C77-K90 PolarHBondContact O-NZ 3.45Å; G88-K90 PolarHBondContact O-N 2.82Å; K90-K92 PolarHBondContact O-N 3.22Å; K90-K92 VanDerWaalsContact O-N 3.11Å
91R63.3Low73.9Confident186 Ų186107.4 Ų107.470%0.70258%0.576SS**PPolyproline II helixtrans-64.1116.3176.5-66.6-17971.8176.12.6106.2K89 G93K89-R91 PolarHBondContact O-N 3.37Å; K89-R91 VanDerWaalsContact O-N 3.13Å; R91-G93 PolarHBondContact O-N 3.47Å
92K68.2Low74.3Confident193 Ų193116.1 Ų116.184%0.83961%0.606SS**PPolyproline II helixtrans-64.2123169.6-62.5-64.7-176.51790106.3K90K90-K92 PolarHBondContact O-N 3.22Å; K90-K92 VanDerWaalsContact O-N 3.11Å
93G62.8Low74.9Confident50 Ų50115 Ų11552%0.51560%0.602SS.*PPolyproline II helixtrans-58.4168.2174.400000111.3R91 K95R91-G93 PolarHBondContact O-N 3.47Å; G93-K95 PolarHBondContact O-N 3.26Å
94P59Low75.6Confident128 Ų128112.2 Ų112.283%0.83158%0.578SS**PPolyproline II helixtrans-47.9128.8169.6-22.733000109.2D96P94-D96 PolarHBondContact O-N 3.38Å; P94-D96 VanDerWaalsContact O-N 3.14Å
95K65.9Low76.5Confident199 Ų199111.5 Ų111.587%0.86556%0.562SS**PPolyproline II helixtrans-65.7116.6172.5-69.4172.3179.9176.50105.9G93 P97G93-K95 PolarHBondContact O-N 3.26Å; K95-P97 WeakPolarHBondContact O-CD 3.43Å
96D74.3Confident77.5Confident72 Ų72107.7 Ų107.739%0.38554%0.544SS..PPolyproline II helixtrans-56.5120.4174.1-179.5-10000108.3P94 T98 V99P94-D96 PolarHBondContact O-N 3.38Å; P94-D96 VanDerWaalsContact O-N 3.14Å; D96-T98 PolarHBondContact O-N 3.32Å; D96-T98 VanDerWaalsContact OD1-CB 3.31Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.39Å; D96-T98 PolarHBondContact OD1-N 3.35Å; D96-T98 PolarHBondContact OD1-OG1 3.02Å; D96-T98 PolarHBondContact OD2-OG1 2.94Å; D96-V99 HydrophobicContact CB-CG2 3.73Å; D96-V99 PolarHBondContact O-N 3.28Å; D96-V99 VanDerWaalsContact O-N 3.11Å
97P75.1Confident78.7Confident105 Ų105100.9 Ų100.968%0.68252%0.515SS*.THydrogen-bonded Turntrans-64.3-15.8-179.628.5-36.1000112.5K95 P172K95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-P172 WeakPolarHBondContact O-CB 3.26Å; P97-P172 WeakPolarHBondContact O-CG 3.38Å
98T81.3Confident80Confident61 Ų6198.8 Ų98.837%0.37451%0.506SS..THydrogen-bonded Turntrans-79.6-19.8176.571.50000112.6D96 Y165 Y170D96-T98 PolarHBondContact O-N 3.32Å; D96-T98 VanDerWaalsContact OD1-CB 3.31Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.39Å; D96-T98 PolarHBondContact OD1-N 3.35Å; D96-T98 PolarHBondContact OD1-OG1 3.02Å; D96-T98 PolarHBondContact OD2-OG1 2.94Å; T98-Y165 VanDerWaalsContact C-CE2 3.45Å; T98-Y165 WeakPolarHBondContact O-CD2 3.38Å; T98-Y165 WeakPolarHBondContact O-CE2 3.34Å; T98-Y165 WeakPolarHBondContact OG1-CE2 3.32Å; T98-Y170 WeakPolarHBondContact O-CD1 3.48Å; T98-Y170 WeakPolarHBondContact O-CE1 3.25Å
99V86Confident81.4Confident61 Ų6197.7 Ų97.737%0.3749%0.485SS..SBendtrans-75.4130.5-179.41770000110.4D96 A101 Y165D96-V99 HydrophobicContact CB-CG2 3.73Å; D96-V99 PolarHBondContact O-N 3.28Å; D96-V99 VanDerWaalsContact O-N 3.11Å; V99-A101 PolarHBondContact O-N 2.91Å; V99-Y165 HydrophobicContact CB-CE2 4.48Å; V99-Y165 HydrophobicContact CG2-CE1 4.03Å; V99-Y165 HydrophobicContact CG2-CE2 4.05Å; V99-Y165 WeakPolarHBondContact CG2-OH 3.39Å
100P89.5Confident82.8Confident4 Ų488 Ų883%0.02644%0.443CS..PPolyproline II helixtrans-50136.6173.5-31.536.1000113.6R102 Y158 D161 M162 Y165 Y170P100-R102 PolarHBondContact O-N 3.32Å; P100-Y158 HydrophobicContact CB-CD2 4.12Å; P100-Y158 HydrophobicContact CB-CE2 3.99Å; P100-D161 HydrophobicContact CB-CB 3.75Å; P100-D161 HydrophobicContact CG-CB 3.9Å; P100-D161 WeakPolarHBondContact CG-O 3.41Å; P100-M162 HydrophobicContact CB-CG 4.43Å; P100-M162 HydrophobicContact CB-SD 4.05Å; P100-M162 HydrophobicContact CG-CG 4.41Å; P100-M162 HydrophobicContact CG-SD 3.84Å; P100-Y165 HydrophobicContact CG-CD2 4.48Å; P100-Y165 HydrophobicContact CG-CG 4.05Å; P100-Y170 HydrophobicContact CB-CE1 4.28Å; P100-Y170 HydrophobicContact CB-CE2 4.39Å; P100-Y170 HydrophobicContact CG-CD1 3.94Å; P100-Y170 HydrophobicContact CG-CD2 4.17Å; P100-Y170 HydrophobicContact CG-CE1 3.83Å; P100-Y170 HydrophobicContact CG-CE2 4.1Å; P100-Y170 HydrophobicContact CG-CG 4.09Å
101A89.4Confident84.1Confident39 Ų3983 Ų8332%0.32242%0.424SS..PPolyproline II helixtrans-67.412717400000109.9V99 R157 Y158V99-A101 PolarHBondContact O-N 2.91Å; A101-R157 PolarHBondContact O-NH1 3.48Å; A101-Y158 WeakPolarHBondContact O-CD2 3.25Å
102R91.8Very high85.5Confident204 Ų20479.2 Ų79.277%0.7742%0.417SS*.PPolyproline II helixtrans-46.7145.3178-65-176.9179.8-135.5-6.4112.5P100 Y158P100-R102 PolarHBondContact O-N 3.32Å; R102-Y158 HydrophobicContact CG-CE2 4.45Å
103A94.3Very high86.7Confident34 Ų3474.2 Ų74.228%0.28140%0.397SS..PPolyproline II helixtrans-54.6142.6170.300000111.3D154 K155 Y158A103-D154 VanDerWaalsContact CA-OD2 3.25Å; A103-D154 WeakPolarHBondContact CA-OD2 3.18Å; A103-K155 HydrophobicContact CB-CB 4.38Å; A103-Y158 HydrophobicContact CB-CD1 4.45Å; A103-Y158 HydrophobicContact CB-CG 4.21Å
104W95.6Very high88.2Confident112 Ų11274.1 Ų74.142%0.42438%0.383SS..PPolyproline II helixtrans-82.9133172.2-75.29.8000109.9F108 F109 D112 D154W104-F108 HydrophobicContact CB-CB 4.11Å; W104-F108 HydrophobicContact CD2-CB 4.4Å; W104-F108 HydrophobicContact CG-CB 4.2Å; W104-F109 HydrophobicContact CB-CD2 4.03Å; W104-F109 HydrophobicContact CB-CE2 3.48Å; W104-F109 VanDerWaalsContact CB-CE2 3.48Å; W104-F109 HydrophobicContact CB-CZ 3.77Å; W104-F109 HydrophobicContact CD2-CE1 4.47Å; W104-F109 HydrophobicContact CD2-CZ 4.44Å; W104-F109 AromaticContact CE3-CD1 3.74Å; W104-F109 HydrophobicContact CE3-CD1 3.74Å; W104-F109 AromaticContact CE3-CE1 3.54Å; W104-F109 HydrophobicContact CE3-CE1 3.54Å; W104-F109 HydrophobicContact CE3-CE2 4.43Å; W104-F109 HydrophobicContact CE3-CG 4.28Å; W104-F109 AromaticContact CE3-CZ 3.91Å; W104-F109 HydrophobicContact CE3-CZ 3.91Å; W104-F109 HydrophobicContact CG-CZ 4.45Å; W104-F109 HydrophobicContact CZ3-CD1 4.25Å; W104-F109 HydrophobicContact CZ3-CE1 4.15Å; W104-D112 HydrophobicContact CZ3-CB 4.36Å; W104-D154 PolarHBondContact N-OD2 3.06Å
105S95.7Very high89.8Confident57 Ų5771.6 Ų71.640%0.39936%0.356SS..PPolyproline II helixtrans-72.9162.4167.562.50000111.1F107 F108 F109S105-F107 PolarHBondContact O-N 2.84Å; S105-F107 VanDerWaalsContact O-N 3.14Å; S105-F108 PolarHBondContact O-N 3.3Å; S105-F108 WeakPolarHBondContact OG-CD2 3.25Å; S105-F109 PolarHBondContact O-N 3.44Å
106A95.9Very high91.1Very high6 Ų665.9 Ų65.95%0.0534%0.341CS..Hα-helixtrans-50.8-43.1177.700000112.7F108 F109 F110 W138 Y147 E148 A151A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.44Å; A106-F109 PolarHBondContact O-N 2.98Å; A106-F110 PolarHBondContact O-N 3.47Å; A106-W138 HydrophobicContact CB-CH2 3.82Å; A106-W138 HydrophobicContact CB-CZ2 3.95Å; A106-Y147 WeakPolarHBondContact CA-O 3.31Å; A106-Y147 WeakPolarHBondContact CB-O 3.49Å; A106-E148 WeakPolarHBondContact CB-OE2 3.41Å; A106-A151 HydrophobicContact CB-CB 4.15Å; A106-A151 VanDerWaalsContact N-CB 3.33Å
107F95.1Very high92.1Very high63 Ų6368.6 Ų68.628%0.27635%0.35SS..Hα-helixtrans-59.8-32176.8179.2-114.3000114.3S105 F110 C111 W138S105-F107 PolarHBondContact O-N 2.84Å; S105-F107 VanDerWaalsContact O-N 3.14Å; F107-F110 HydrophobicContact CD2-CD1 4.29Å; F107-F110 HydrophobicContact CE2-CD1 4.34Å; F107-C111 VanDerWaalsContact CE1-SG 3.54Å; F107-C111 WeakPolarHBondContact CZ-SG 3.16Å; F107-C111 WeakPolarHBondContact O-CB 3.49Å; F107-C111 PolarHBondContact O-N 3.5Å; F107-C111 PolarHBondContact O-SG 2.98Å; F107-W138 HydrophobicContact CD2-CB 3.75Å; F107-W138 AromaticContact CD2-CD1 3.69Å; F107-W138 AromaticContact CD2-CD2 3.96Å; F107-W138 HydrophobicContact CD2-CD2 3.96Å; F107-W138 AromaticContact CD2-CG 3.5Å; F107-W138 HydrophobicContact CD2-CG 3.5Å; F107-W138 VanDerWaalsContact CD2-CG 3.5Å; F107-W138 HydrophobicContact CE2-CB 3.78Å; F107-W138 HydrophobicContact CE2-CG 4.05Å
108F96.3Very high92.9Very high116 Ų11663.9 Ų63.951%0.50932%0.319SS..Hα-helixtrans-73.9-37.5178.6-74.9-58.7000111.8W104 S105 A106 C111 D112W104-F108 HydrophobicContact CB-CB 4.11Å; W104-F108 HydrophobicContact CD2-CB 4.4Å; W104-F108 HydrophobicContact CG-CB 4.2Å; S105-F108 PolarHBondContact O-N 3.3Å; S105-F108 WeakPolarHBondContact OG-CD2 3.25Å; A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.44Å; F108-C111 WeakPolarHBondContact O-CB 3.43Å; F108-C111 PolarHBondContact O-N 2.98Å; F108-D112 PolarHBondContact O-N 3.32Å
109F96.2Very high93.5Very high32 Ų3266.6 Ų66.614%0.1432%0.322CS..Hα-helixtrans-62.9-43.5171.3-73-71.7000111.5W104 S105 A106 C111 D112 E113 Y147 L150 D154W104-F109 HydrophobicContact CB-CD2 4.03Å; W104-F109 HydrophobicContact CB-CE2 3.48Å; W104-F109 VanDerWaalsContact CB-CE2 3.48Å; W104-F109 HydrophobicContact CB-CZ 3.77Å; W104-F109 HydrophobicContact CD2-CE1 4.47Å; W104-F109 HydrophobicContact CD2-CZ 4.44Å; W104-F109 AromaticContact CE3-CD1 3.74Å; W104-F109 HydrophobicContact CE3-CD1 3.74Å; W104-F109 AromaticContact CE3-CE1 3.54Å; W104-F109 HydrophobicContact CE3-CE1 3.54Å; W104-F109 HydrophobicContact CE3-CE2 4.43Å; W104-F109 HydrophobicContact CE3-CG 4.28Å; W104-F109 AromaticContact CE3-CZ 3.91Å; W104-F109 HydrophobicContact CE3-CZ 3.91Å; W104-F109 HydrophobicContact CG-CZ 4.45Å; W104-F109 HydrophobicContact CZ3-CD1 4.25Å; W104-F109 HydrophobicContact CZ3-CE1 4.15Å; S105-F109 PolarHBondContact O-N 3.44Å; A106-F109 PolarHBondContact O-N 2.98Å; F109-C111 VanDerWaalsContact C-N 3.33Å; F109-C111 PolarHBondContact O-N 3.43Å; F109-D112 PolarHBondContact O-N 3.3Å; F109-E113 PolarHBondContact O-N 3.11Å; F109-Y147 HydrophobicContact CB-CD1 3.72Å; F109-Y147 HydrophobicContact CB-CE1 4.46Å; F109-L150 HydrophobicContact CB-CD2 4.42Å; F109-L150 HydrophobicContact CD1-CB 4.31Å; F109-L150 HydrophobicContact CD1-CD2 3.78Å; F109-L150 HydrophobicContact CD2-CB 3.89Å; F109-L150 HydrophobicContact CE1-CB 4.47Å; F109-L150 HydrophobicContact CE1-CD2 4.22Å; F109-L150 HydrophobicContact CE2-CB 4.07Å; F109-L150 HydrophobicContact CG-CB 4.03Å; F109-L150 HydrophobicContact CG-CD2 4.09Å; F109-L150 HydrophobicContact CZ-CB 4.36Å; F109-D154 HydrophobicContact CE2-CB 3.88Å; F109-D154 HydrophobicContact CZ-CB 3.66Å
110F95.3Very high93.9Very high3 Ų371.4 Ų71.41%0.01334%0.341CS..Hα-helixtrans-58.3-45.9172.3174.5-95.5000111.7A106 F107 D112 E113 F114 L134 Q137 W138 C141 Y147A106-F110 PolarHBondContact O-N 3.47Å; F107-F110 HydrophobicContact CD2-CD1 4.29Å; F107-F110 HydrophobicContact CE2-CD1 4.34Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 3.14Å; F110-E113 PolarHBondContact O-N 2.88Å; F110-F114 AromaticContact CD2-CD2 3.3Å; F110-F114 HydrophobicContact CD2-CD2 3.3Å; F110-F114 AromaticContact CD2-CE2 3.46Å; F110-F114 HydrophobicContact CD2-CE2 3.46Å; F110-F114 VanDerWaalsContact CD2-CE2 3.46Å; F110-F114 HydrophobicContact CD2-CG 4.24Å; F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CD2 4.37Å; F110-F114 HydrophobicContact CE1-CG 4.48Å; F110-F114 HydrophobicContact CE2-CB 4.38Å; F110-F114 HydrophobicContact CE2-CD1 4.33Å; F110-F114 AromaticContact CE2-CD2 3.12Å; F110-F114 HydrophobicContact CE2-CD2 3.12Å; F110-F114 HydrophobicContact CE2-CE1 4.44Å; F110-F114 AromaticContact CE2-CE2 3.25Å; F110-F114 HydrophobicContact CE2-CE2 3.25Å; F110-F114 AromaticContact CE2-CG 3.7Å; F110-F114 HydrophobicContact CE2-CG 3.7Å; F110-F114 AromaticContact CE2-CZ 3.95Å; F110-F114 HydrophobicContact CE2-CZ 3.95Å; F110-F114 HydrophobicContact CG-CD2 4.02Å; F110-F114 HydrophobicContact CZ-CB 4.08Å; F110-F114 HydrophobicContact CZ-CD1 4.43Å; F110-F114 AromaticContact CZ-CD2 3.7Å; F110-F114 HydrophobicContact CZ-CD2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 4.19Å; F110-F114 AromaticContact CZ-CG 3.82Å; F110-F114 HydrophobicContact CZ-CG 3.82Å; F110-F114 WeakPolarHBondContact O-CD2 3.42Å; F110-F114 PolarHBondContact O-N 3.17Å; F110-L134 HydrophobicContact CE1-CB 4.41Å; F110-L134 HydrophobicContact CE1-CD2 3.96Å; F110-L134 WeakPolarHBondContact CE1-O 3.36Å; F110-Q137 HydrophobicContact CE1-CB 4.27Å; F110-Q137 HydrophobicContact CZ-CB 3.77Å; F110-W138 HydrophobicContact CB-CE3 3.66Å; F110-W138 HydrophobicContact CB-CZ3 3.75Å; F110-W138 HydrophobicContact CD1-CB 4.07Å; F110-W138 AromaticContact CD1-CE3 3.93Å; F110-W138 HydrophobicContact CD1-CE3 3.93Å; F110-W138 AromaticContact CD2-CE3 3.75Å; F110-W138 HydrophobicContact CD2-CE3 3.75Å; F110-W138 HydrophobicContact CD2-CZ3 4.12Å; F110-W138 HydrophobicContact CE1-CB 3.99Å; F110-W138 HydrophobicContact CE2-CE3 4.4Å; F110-W138 HydrophobicContact CG-CD2 4.43Å; F110-W138 AromaticContact CG-CE3 3.48Å; F110-W138 HydrophobicContact CG-CE3 3.48Å; F110-W138 VanDerWaalsContact CG-CE3 3.48Å; F110-W138 AromaticContact CG-CZ3 3.99Å; F110-W138 HydrophobicContact CG-CZ3 3.99Å; F110-C141 HydrophobicContact CE2-CB 4.26Å; F110-Y147 HydrophobicContact CB-CD1 4.3Å; F110-Y147 HydrophobicContact CB-CD2 4.32Å; F110-Y147 HydrophobicContact CB-CE1 4.4Å; F110-Y147 HydrophobicContact CB-CE2 4.41Å; F110-Y147 HydrophobicContact CB-CG 4.26Å; F110-Y147 HydrophobicContact CD2-CD2 4.39Å; F110-Y147 AromaticContact CD2-CE2 3.89Å; F110-Y147 HydrophobicContact CD2-CE2 3.89Å
111C94.7Very high94.1Very high19 Ų1975.1 Ų75.113%0.12837%0.367CS..Hα-helixtrans-60.7-37.5176.2-75.20000112.4F107 F108 F109 R115 L134F107-C111 VanDerWaalsContact CE1-SG 3.54Å; F107-C111 WeakPolarHBondContact CZ-SG 3.16Å; F107-C111 WeakPolarHBondContact O-CB 3.49Å; F107-C111 PolarHBondContact O-N 3.5Å; F107-C111 PolarHBondContact O-SG 2.98Å; F108-C111 WeakPolarHBondContact O-CB 3.43Å; F108-C111 PolarHBondContact O-N 2.98Å; F109-C111 VanDerWaalsContact C-N 3.33Å; F109-C111 PolarHBondContact O-N 3.43Å; C111-R115 WeakPolarHBondContact O-CA 3.43Å; C111-R115 WeakPolarHBondContact O-CB 3.39Å; C111-R115 PolarHBondContact O-N 3.11Å; C111-L134 HydrophobicContact CB-CD1 4.49Å
112D94.2Very high94.2Very high105 Ų10575.6 Ų75.656%0.56136%0.364SS*.Hα-helixtrans-62.8-44.7-179.7-16460.1000111.7W104 F108 F109 F110W104-D112 HydrophobicContact CZ3-CB 4.36Å; F108-D112 PolarHBondContact O-N 3.32Å; F109-D112 PolarHBondContact O-N 3.3Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 3.14Å
113E92.9Very high94.2Very high88 Ų8870.3 Ų70.341%0.41136%0.356SS..Hα-helixtrans-72.2-47.4178.9-65.8-176.7-170.300112.4F109 F110 K146 Y147F109-E113 PolarHBondContact O-N 3.11Å; F110-E113 PolarHBondContact O-N 2.88Å; E113-K146 IonicContact OE1-NZ 2.89Å; E113-K146 PolarHBondContact OE1-NZ 3Å; E113-K146 IonicContact OE2-NZ 3Å; E113-K146 PolarHBondContact OE2-NZ 3.16Å; E113-K146 VanDerWaalsContact OE2-NZ 3.12Å; E113-Y147 HydrophobicContact CG-CE1 4.5Å; E113-Y147 PolarHBondContact OE2-OH 2.99Å
114F93.1Very high94.2Very high49 Ų4976 Ų7622%0.21538%0.382CS..Hα-helixtrans-89.8-21.1-169.7-74.7-87.8000114.5F110 S116 K117 V118 L134 Y147F110-F114 AromaticContact CD2-CD2 3.3Å; F110-F114 HydrophobicContact CD2-CD2 3.3Å; F110-F114 AromaticContact CD2-CE2 3.46Å; F110-F114 HydrophobicContact CD2-CE2 3.46Å; F110-F114 VanDerWaalsContact CD2-CE2 3.46Å; F110-F114 HydrophobicContact CD2-CG 4.24Å; F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CD2 4.37Å; F110-F114 HydrophobicContact CE1-CG 4.48Å; F110-F114 HydrophobicContact CE2-CB 4.38Å; F110-F114 HydrophobicContact CE2-CD1 4.33Å; F110-F114 AromaticContact CE2-CD2 3.12Å; F110-F114 HydrophobicContact CE2-CD2 3.12Å; F110-F114 HydrophobicContact CE2-CE1 4.44Å; F110-F114 AromaticContact CE2-CE2 3.25Å; F110-F114 HydrophobicContact CE2-CE2 3.25Å; F110-F114 AromaticContact CE2-CG 3.7Å; F110-F114 HydrophobicContact CE2-CG 3.7Å; F110-F114 AromaticContact CE2-CZ 3.95Å; F110-F114 HydrophobicContact CE2-CZ 3.95Å; F110-F114 HydrophobicContact CG-CD2 4.02Å; F110-F114 HydrophobicContact CZ-CB 4.08Å; F110-F114 HydrophobicContact CZ-CD1 4.43Å; F110-F114 AromaticContact CZ-CD2 3.7Å; F110-F114 HydrophobicContact CZ-CD2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 4.19Å; F110-F114 AromaticContact CZ-CG 3.82Å; F110-F114 HydrophobicContact CZ-CG 3.82Å; F110-F114 WeakPolarHBondContact O-CD2 3.42Å; F110-F114 PolarHBondContact O-N 3.17Å; F114-S116 VanDerWaalsContact C-N 3.26Å; F114-S116 PolarHBondContact O-N 2.67Å; F114-K117 HydrophobicContact CD1-CD 4.44Å; F114-K117 PolarHBondContact O-N 3.39Å; F114-K117 VanDerWaalsContact O-N 3.11Å; F114-V118 WeakPolarHBondContact O-CG2 3.14Å; F114-V118 PolarHBondContact O-N 2.9Å; F114-L134 HydrophobicContact CB-CD2 3.58Å; F114-Y147 WeakPolarHBondContact CE2-OH 3.42Å
115R93.2Very high94.1Very high74 Ų7475.7 Ų75.728%0.27938%0.381SS..Hα-helixtrans-60-36.8-178177.6-177.6-175.686.61.2112.6C111 R119 V127 I130 L134C111-R115 WeakPolarHBondContact O-CA 3.43Å; C111-R115 WeakPolarHBondContact O-CB 3.39Å; C111-R115 PolarHBondContact O-N 3.11Å; R115-R119 VanDerWaalsContact O-CB 3.31Å; R115-R119 WeakPolarHBondContact O-CB 3.26Å; R115-R119 PolarHBondContact O-N 3.37Å; R115-V127 VanDerWaalsContact NH2-CG1 3.28Å; R115-I130 HydrophobicContact CG-CG2 4.29Å; R115-L134 HydrophobicContact CB-CD1 3.87Å; R115-L134 HydrophobicContact CG-CD1 4.26Å
116S93.9Very high94Very high79 Ų7980.6 Ų80.655%0.55240%0.395SS*.Hα-helixtrans-66.6-43.8176.5-61.40000111.1F114 R119 E120F114-S116 VanDerWaalsContact C-N 3.26Å; F114-S116 PolarHBondContact O-N 2.67Å; S116-R119 PolarHBondContact O-N 3.01Å; S116-E120 WeakPolarHBondContact O-CB 3.45Å; S116-E120 PolarHBondContact O-N 3.05Å
117K93.7Very high93.9Very high130 Ų13084.4 Ų84.457%0.56542%0.418SS*.Hα-helixtrans-64-43.2178-171.4175-176176.40113F114 E120 S121F114-K117 HydrophobicContact CD1-CD 4.44Å; F114-K117 PolarHBondContact O-N 3.39Å; F114-K117 VanDerWaalsContact O-N 3.11Å; K117-E120 PolarHBondContact O-N 3.24Å; K117-S121 WeakPolarHBondContact O-CB 3.4Å; K117-S121 PolarHBondContact O-N 3.48Å; K117-S121 PolarHBondContact O-OG 3.33Å
118V93.8Very high93.9Very high5 Ų584.2 Ų84.23%0.0343%0.428CS..Hα-helixtrans-66.8-39177.2177.10000110.9F114 S121 N122 W125 I130 E133 L134F114-V118 WeakPolarHBondContact O-CG2 3.14Å; F114-V118 PolarHBondContact O-N 2.9Å; V118-S121 PolarHBondContact O-N 2.9Å; V118-N122 PolarHBondContact O-N 3.36Å; V118-W125 HydrophobicContact CG1-CE3 4.42Å; V118-W125 HydrophobicContact CG1-CZ3 4.33Å; V118-I130 HydrophobicContact CB-CG2 4.26Å; V118-I130 HydrophobicContact CG1-CB 4.44Å; V118-I130 HydrophobicContact CG1-CG1 4.45Å; V118-I130 HydrophobicContact CG1-CG2 3.93Å; V118-E133 HydrophobicContact CG1-CB 4.27Å; V118-E133 HydrophobicContact CG1-CG 4.05Å; V118-L134 HydrophobicContact CG2-CD2 3.82Å; V118-L134 HydrophobicContact CG2-CG 4.36Å
119R93.8Very high93.8Very high118 Ų11881.5 Ų81.545%0.44542%0.418SS..Hα-helixtrans-66.9-39.6175.4-171.7-175.4-54.4168.212.2112.2R115 S116 N122 P123 I130R115-R119 VanDerWaalsContact O-CB 3.31Å; R115-R119 WeakPolarHBondContact O-CB 3.26Å; R115-R119 PolarHBondContact O-N 3.37Å; S116-R119 PolarHBondContact O-N 3.01Å; R119-N122 CarbonylContact O-C 3.51Å; R119-N122 PolarHBondContact O-N 3.48Å; R119-P123 WeakPolarHBondContact O-CA 3.33Å; R119-I130 HydrophobicContact CB-CD1 4.06Å; R119-I130 HydrophobicContact CG-CD1 4.08Å
120E94.1Very high93.8Very high162 Ų16280.1 Ų80.176%0.75741%0.412SS*.Hα-helixtrans-67.2-38.7176.7-177170.5-134.700111.7S116 K117 N122S116-E120 WeakPolarHBondContact O-CB 3.45Å; S116-E120 PolarHBondContact O-N 3.05Å; K117-E120 PolarHBondContact O-N 3.24Å; E120-N122 VanDerWaalsContact C-N 3.31Å; E120-N122 PolarHBondContact O-N 3.45Å
121S93.5Very high93.7Very high82 Ų8282.1 Ų82.157%0.57343%0.43SS*.Hα-helixtrans-69.9-29.8175.4-54.40000112.4K117 V118K117-S121 WeakPolarHBondContact O-CB 3.4Å; K117-S121 PolarHBondContact O-N 3.48Å; K117-S121 PolarHBondContact O-OG 3.33Å; V118-S121 PolarHBondContact O-N 2.9Å
122N91.6Very high93.8Very high50 Ų5088 Ų8827%0.26745%0.453SS..  trans-136.973.7-178.5-58.4-84.5000110.7V118 R119 E120 D124 W125V118-N122 PolarHBondContact O-N 3.36Å; R119-N122 CarbonylContact O-C 3.51Å; R119-N122 PolarHBondContact O-N 3.48Å; E120-N122 VanDerWaalsContact C-N 3.31Å; E120-N122 PolarHBondContact O-N 3.45Å; N122-D124 PolarHBondContact O-N 2.91Å; N122-W125 HydrophobicContact CB-CB 4.09Å; N122-W125 HydrophobicContact CB-CD2 3.36Å; N122-W125 HydrophobicContact CB-CE3 3.65Å; N122-W125 HydrophobicContact CB-CG 3.57Å; N122-W125 HydrophobicContact CB-CH2 4.5Å; N122-W125 HydrophobicContact CB-CZ2 4.28Å; N122-W125 HydrophobicContact CB-CZ3 4.2Å; N122-W125 PolarHBondContact O-N 2.93Å; N122-W125 WeakPolarHBondContact OD1-CZ2 3.37Å
123P91.3Very high93.8Very high93 Ų9384.5 Ų84.560%0.60443%0.433SS*.THydrogen-bonded Turntrans-67.4-23.2-176.126.3-34.1000112.9R119 W125R119-P123 WeakPolarHBondContact O-CA 3.33Å; P123-W125 VanDerWaalsContact C-N 3.33Å
124D93.7Very high93.9Very high154 Ų15480.4 Ų80.482%0.82441%0.414SS*.THydrogen-bonded Turntrans-79.6-13.9178.8-60.5-39.2000113.4N122N122-D124 PolarHBondContact O-N 2.91Å
125W93.3Very high94Very high104 Ų10479.1 Ų79.139%0.39442%0.415SS..SBendtrans-74.3137.3-177.5-75.27.4000112V118 N122 P123 D129 I130 E133V118-W125 HydrophobicContact CG1-CE3 4.42Å; V118-W125 HydrophobicContact CG1-CZ3 4.33Å; N122-W125 HydrophobicContact CB-CB 4.09Å; N122-W125 HydrophobicContact CB-CD2 3.36Å; N122-W125 HydrophobicContact CB-CE3 3.65Å; N122-W125 HydrophobicContact CB-CG 3.57Å; N122-W125 HydrophobicContact CB-CH2 4.5Å; N122-W125 HydrophobicContact CB-CZ2 4.28Å; N122-W125 HydrophobicContact CB-CZ3 4.2Å; N122-W125 PolarHBondContact O-N 2.93Å; N122-W125 WeakPolarHBondContact OD1-CZ2 3.37Å; P123-W125 VanDerWaalsContact C-N 3.33Å; W125-D129 HydrophobicContact CB-CB 4.29Å; W125-D129 HydrophobicContact CD2-CB 4.47Å; W125-D129 HydrophobicContact CG-CB 4.38Å; W125-I130 HydrophobicContact CB-CG1 3.9Å; W125-E133 HydrophobicContact CH2-CG 4.46Å; W125-E133 HydrophobicContact CZ3-CB 3.72Å; W125-E133 HydrophobicContact CZ3-CG 3.87Å
126K94.2Very high94.1Very high160 Ų16082.6 Ų82.670%0.69643%0.428SS*.  trans-70.3157.6172.5-65.9179.6-178.2173.10109.6A128 D129 I130K126-A128 PolarHBondContact O-N 3.21Å; K126-D129 PolarHBondContact O-N 3.47Å; K126-I130 PolarHBondContact O-N 2.94Å
127V93.7Very high94.1Very high87 Ų8781.5 Ų81.553%0.52741%0.414SS..Hα-helixtrans-50.4-34.7176.7173.50000112.8R115 A131R115-V127 VanDerWaalsContact NH2-CG1 3.28Å; V127-A131 WeakPolarHBondContact O-CB 3.44Å; V127-A131 PolarHBondContact O-N 3.42Å
128A94.8Very high94.2Very high59 Ų5977.7 Ų77.749%0.48840%0.396SS..Hα-helixtrans-66.3-40.3177.600000112.7K126 A131 K132K126-A128 PolarHBondContact O-N 3.21Å; A128-A131 PolarHBondContact O-N 3.22Å; A128-K132 WeakPolarHBondContact O-CG 3.48Å; A128-K132 PolarHBondContact O-N 2.71Å; A128-K132 VanDerWaalsContact O-N 3.09Å
129D95.5Very high94.2Very high58 Ų5884.4 Ų84.431%0.3143%0.427SS..Hα-helixtrans-76.7-37.4-178.7-55.9-49.1000110.8W125 K126 A131 K132 E133W125-D129 HydrophobicContact CB-CB 4.29Å; W125-D129 HydrophobicContact CD2-CB 4.47Å; W125-D129 HydrophobicContact CG-CB 4.38Å; K126-D129 PolarHBondContact O-N 3.47Å; D129-A131 VanDerWaalsContact C-N 3.29Å; D129-A131 PolarHBondContact O-N 2.97Å; D129-K132 PolarHBondContact O-N 3.14Å; D129-K132 IonicContact OD1-NZ 3.9Å; D129-K132 PolarHBondContact OD1-NZ 3.22Å; D129-E133 PolarHBondContact O-N 3.13Å
130I95.3Very high94.1Very high3 Ų384 Ų842%0.01544%0.438CS..Hα-helixtrans-57.3-43.5168.6-62.6170.7000110.7R115 V118 R119 W125 K126 E133 L134R115-I130 HydrophobicContact CG-CG2 4.29Å; V118-I130 HydrophobicContact CB-CG2 4.26Å; V118-I130 HydrophobicContact CG1-CB 4.44Å; V118-I130 HydrophobicContact CG1-CG1 4.45Å; V118-I130 HydrophobicContact CG1-CG2 3.93Å; R119-I130 HydrophobicContact CB-CD1 4.06Å; R119-I130 HydrophobicContact CG-CD1 4.08Å; W125-I130 HydrophobicContact CB-CG1 3.9Å; K126-I130 PolarHBondContact O-N 2.94Å; I130-E133 PolarHBondContact O-N 3.04Å; I130-L134 HydrophobicContact CG2-CD1 3.95Å; I130-L134 HydrophobicContact CG2-CG 4.4Å; I130-L134 WeakPolarHBondContact O-CB 3.47Å; I130-L134 VanDerWaalsContact O-CG 3.31Å; I130-L134 WeakPolarHBondContact O-CG 3.35Å; I130-L134 PolarHBondContact O-N 3.38Å
131A94.6Very high93.9Very high46 Ų4677.1 Ų77.138%0.3841%0.408SS..Hα-helixtrans-65.8-3817900000112.7V127 A128 D129 G135V127-A131 WeakPolarHBondContact O-CB 3.44Å; V127-A131 PolarHBondContact O-N 3.42Å; A128-A131 PolarHBondContact O-N 3.22Å; D129-A131 VanDerWaalsContact C-N 3.29Å; D129-A131 PolarHBondContact O-N 2.97Å; A131-G135 PolarHBondContact O-N 3.28Å
132K95.8Very high93.7Very high142 Ų14282.1 Ų82.162%0.61742%0.422SS*.Hα-helixtrans-62.7-45.4173.8-69.2170.3-165.8158.40111.3A128 D129 G135 R136A128-K132 WeakPolarHBondContact O-CG 3.48Å; A128-K132 PolarHBondContact O-N 2.71Å; A128-K132 VanDerWaalsContact O-N 3.09Å; D129-K132 PolarHBondContact O-N 3.14Å; D129-K132 IonicContact OD1-NZ 3.9Å; D129-K132 PolarHBondContact OD1-NZ 3.22Å; K132-G135 PolarHBondContact O-N 3Å; K132-R136 PolarHBondContact O-N 3.45Å
133E94.5Very high93.6Very high32 Ų3284.3 Ų84.315%0.1543%0.434CS..Hα-helixtrans-65.8-40.8179.5179.358.8-161.700111.9V118 W125 D129 I130 G135 R136 Q137V118-E133 HydrophobicContact CG1-CB 4.27Å; V118-E133 HydrophobicContact CG1-CG 4.05Å; W125-E133 HydrophobicContact CH2-CG 4.46Å; W125-E133 HydrophobicContact CZ3-CB 3.72Å; W125-E133 HydrophobicContact CZ3-CG 3.87Å; D129-E133 PolarHBondContact O-N 3.13Å; I130-E133 PolarHBondContact O-N 3.04Å; E133-G135 VanDerWaalsContact C-N 3.28Å; E133-G135 PolarHBondContact O-N 3.39Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE1-CZ 3.51Å; E133-R136 IonicContact OE1-NE 3.42Å; E133-R136 PolarHBondContact OE1-NE 3.37Å; E133-R136 IonicContact OE1-NH2 2.75Å; E133-R136 PolarHBondContact OE1-NH2 3.36Å; E133-R136 IonicContact OE2-CZ 3.62Å; E133-R136 IonicContact OE2-NE 2.91Å; E133-R136 PolarHBondContact OE2-NE 2.6Å; E133-R136 IonicContact OE2-NH2 3.49Å; E133-R136 PolarHBondContact OE2-NH2 2.89Å; E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.48Å; E133-Q137 PolarHBondContact O-N 3.16Å; E133-Q137 PolarHBondContact OE1-NE2 2.91Å
134L95.4Very high93.7Very high1 Ų183.5 Ų83.51%0.00542%0.421CS..Hα-helixtrans-60.7-38.2173.1-73168.7000112F110 C111 F114 R115 V118 I130 Q137 W138F110-L134 HydrophobicContact CE1-CB 4.41Å; F110-L134 HydrophobicContact CE1-CD2 3.96Å; F110-L134 WeakPolarHBondContact CE1-O 3.36Å; C111-L134 HydrophobicContact CB-CD1 4.49Å; F114-L134 HydrophobicContact CB-CD2 3.58Å; R115-L134 HydrophobicContact CB-CD1 3.87Å; R115-L134 HydrophobicContact CG-CD1 4.26Å; V118-L134 HydrophobicContact CG2-CD2 3.82Å; V118-L134 HydrophobicContact CG2-CG 4.36Å; I130-L134 HydrophobicContact CG2-CD1 3.95Å; I130-L134 HydrophobicContact CG2-CG 4.4Å; I130-L134 WeakPolarHBondContact O-CB 3.47Å; I130-L134 VanDerWaalsContact O-CG 3.31Å; I130-L134 WeakPolarHBondContact O-CG 3.35Å; I130-L134 PolarHBondContact O-N 3.38Å; L134-Q137 PolarHBondContact O-N 3.4Å; L134-W138 VanDerWaalsContact O-CB 3.31Å; L134-W138 WeakPolarHBondContact O-CB 3.11Å; L134-W138 PolarHBondContact O-N 3.12Å
135G95.3Very high93.7Very high22 Ų2280 Ų8023%0.22741%0.413CS..Hα-helixtrans-59.9-48.3173.500000112.1A131 K132 E133 Q137 W138 E139A131-G135 PolarHBondContact O-N 3.28Å; K132-G135 PolarHBondContact O-N 3Å; E133-G135 VanDerWaalsContact C-N 3.28Å; E133-G135 PolarHBondContact O-N 3.39Å; G135-Q137 PolarHBondContact O-N 3.24Å; G135-W138 WeakPolarHBondContact O-CB 3.44Å; G135-W138 PolarHBondContact O-N 2.9Å; G135-E139 PolarHBondContact O-N 3.45Å; G135-E139 VanDerWaalsContact O-N 3.09Å
136R95.4Very high93.8Very high147 Ų14779.4 Ų79.456%0.55541%0.413SS*.Hα-helixtrans-60.6-43.1176.4-169.2-175.475.898.63.7112.3K132 E133 W138 E139 T140K132-R136 PolarHBondContact O-N 3.45Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE1-CZ 3.51Å; E133-R136 IonicContact OE1-NE 3.42Å; E133-R136 PolarHBondContact OE1-NE 3.37Å; E133-R136 IonicContact OE1-NH2 2.75Å; E133-R136 PolarHBondContact OE1-NH2 3.36Å; E133-R136 IonicContact OE2-CZ 3.62Å; E133-R136 IonicContact OE2-NE 2.91Å; E133-R136 PolarHBondContact OE2-NE 2.6Å; E133-R136 IonicContact OE2-NH2 3.49Å; E133-R136 PolarHBondContact OE2-NH2 2.89Å; R136-W138 VanDerWaalsContact C-N 3.35Å; R136-E139 PolarHBondContact O-N 2.82Å; R136-T140 PolarHBondContact O-N 2.83Å; R136-T140 PolarHBondContact O-OG1 2.87Å
137Q93Very high93.9Very high57 Ų5771.9 Ų71.927%0.26638%0.38SS..Hα-helixtrans-67.5-36.5177.1-69.9-177.621.500111.9F110 E133 L134 G135 E139 T140 C141F110-Q137 HydrophobicContact CE1-CB 4.27Å; F110-Q137 HydrophobicContact CZ-CB 3.77Å; E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.48Å; E133-Q137 PolarHBondContact O-N 3.16Å; E133-Q137 PolarHBondContact OE1-NE2 2.91Å; L134-Q137 PolarHBondContact O-N 3.4Å; G135-Q137 PolarHBondContact O-N 3.24Å; Q137-E139 VanDerWaalsContact C-N 3.31Å; Q137-E139 PolarHBondContact O-N 3.07Å; Q137-T140 CarbonylContact O-C 3.05Å; Q137-T140 PolarHBondContact O-N 3.45Å; Q137-C141 WeakPolarHBondContact O-CB 3.41Å; Q137-C141 PolarHBondContact O-N 3.26Å
138W95.5Very high94Very high49 Ų4972.3 Ų72.319%0.18638%0.376CS..Hα-helixtrans-63.3-36.9175.6176.9-114.8000112.5A106 F107 F110 L134 G135 R136 T140 C141 K144 Y147A106-W138 HydrophobicContact CB-CH2 3.82Å; A106-W138 HydrophobicContact CB-CZ2 3.95Å; F107-W138 HydrophobicContact CD2-CB 3.75Å; F107-W138 AromaticContact CD2-CD1 3.69Å; F107-W138 AromaticContact CD2-CD2 3.96Å; F107-W138 HydrophobicContact CD2-CD2 3.96Å; F107-W138 AromaticContact CD2-CG 3.5Å; F107-W138 HydrophobicContact CD2-CG 3.5Å; F107-W138 VanDerWaalsContact CD2-CG 3.5Å; F107-W138 HydrophobicContact CE2-CB 3.78Å; F107-W138 HydrophobicContact CE2-CG 4.05Å; F110-W138 HydrophobicContact CB-CE3 3.66Å; F110-W138 HydrophobicContact CB-CZ3 3.75Å; F110-W138 HydrophobicContact CD1-CB 4.07Å; F110-W138 AromaticContact CD1-CE3 3.93Å; F110-W138 HydrophobicContact CD1-CE3 3.93Å; F110-W138 AromaticContact CD2-CE3 3.75Å; F110-W138 HydrophobicContact CD2-CE3 3.75Å; F110-W138 HydrophobicContact CD2-CZ3 4.12Å; F110-W138 HydrophobicContact CE1-CB 3.99Å; F110-W138 HydrophobicContact CE2-CE3 4.4Å; F110-W138 HydrophobicContact CG-CD2 4.43Å; F110-W138 AromaticContact CG-CE3 3.48Å; F110-W138 HydrophobicContact CG-CE3 3.48Å; F110-W138 VanDerWaalsContact CG-CE3 3.48Å; F110-W138 AromaticContact CG-CZ3 3.99Å; F110-W138 HydrophobicContact CG-CZ3 3.99Å; L134-W138 VanDerWaalsContact O-CB 3.31Å; L134-W138 WeakPolarHBondContact O-CB 3.11Å; L134-W138 PolarHBondContact O-N 3.12Å; G135-W138 WeakPolarHBondContact O-CB 3.44Å; G135-W138 PolarHBondContact O-N 2.9Å; R136-W138 VanDerWaalsContact C-N 3.35Å; W138-T140 VanDerWaalsContact C-N 3.28Å; W138-T140 PolarHBondContact O-N 2.91Å; W138-C141 HydrophobicContact CE3-CB 4.07Å; W138-C141 HydrophobicContact CZ3-CB 4.47Å; W138-C141 WeakPolarHBondContact O-CB 3.3Å; W138-C141 PolarHBondContact O-N 3.5Å; W138-K144 HydrophobicContact CH2-CB 4.08Å; W138-K144 HydrophobicContact CH2-CG 3.85Å; W138-K144 HydrophobicContact CZ2-CG 4.14Å; W138-K144 HydrophobicContact CZ3-CG 4.08Å; W138-K144 VanDerWaalsContact O-CE 3.24Å; W138-K144 WeakPolarHBondContact O-CE 3.49Å; W138-K144 PolarHBondContact O-NZ 3.13Å; W138-Y147 HydrophobicContact CH2-CD2 4.3Å; W138-Y147 HydrophobicContact CH2-CG 4.47Å; W138-Y147 AromaticContact CZ3-CD2 3.68Å; W138-Y147 HydrophobicContact CZ3-CD2 3.68Å; W138-Y147 HydrophobicContact CZ3-CG 4.13Å
139E93.6Very high94.1Very high146 Ų14674.9 Ų74.968%0.68238%0.382SS*.Hα-helixtrans-60.2-40.1174.7-72.8173.2-175.200111.7G135 R136 Q137 K144G135-E139 PolarHBondContact O-N 3.45Å; G135-E139 VanDerWaalsContact O-N 3.09Å; R136-E139 PolarHBondContact O-N 2.82Å; Q137-E139 VanDerWaalsContact C-N 3.31Å; Q137-E139 PolarHBondContact O-N 3.07Å; E139-K144 WeakPolarHBondContact O-CE 2.87Å; E139-K144 PolarHBondContact O-NZ 3.36Å
140T92.6Very high94.1Very high110 Ų11075 Ų7568%0.67538%0.381SS*.Hα-helixtrans-91.4-5.2-178.2-45.60000113.6R136 Q137 W138 Q142R136-T140 PolarHBondContact O-N 2.83Å; R136-T140 PolarHBondContact O-OG1 2.87Å; Q137-T140 CarbonylContact O-C 3.05Å; Q137-T140 PolarHBondContact O-N 3.45Å; W138-T140 VanDerWaalsContact C-N 3.28Å; W138-T140 PolarHBondContact O-N 2.91Å; T140-Q142 PolarHBondContact O-N 2.9Å
141C89.6Confident94.2Very high18 Ų1875.2 Ų75.212%0.12238%0.384CS..  trans-62.6128-177.5-176.50000110.5F110 Q137 W138 K144F110-C141 HydrophobicContact CE2-CB 4.26Å; Q137-C141 WeakPolarHBondContact O-CB 3.41Å; Q137-C141 PolarHBondContact O-N 3.26Å; W138-C141 HydrophobicContact CE3-CB 4.07Å; W138-C141 HydrophobicContact CZ3-CB 4.47Å; W138-C141 WeakPolarHBondContact O-CB 3.3Å; W138-C141 PolarHBondContact O-N 3.5Å; C141-K144 HydrophobicContact CB-CG 4.3Å; C141-K144 WeakPolarHBondContact O-CE 3.45Å; C141-K144 WeakPolarHBondContact O-CG 3.3Å
142Q89Confident94.3Very high187 Ų18777.9 Ų77.987%0.87439%0.389SS*.SBendtrans-82.4-30.6175.7-66.8-177.7-4100111.5T140 K144T140-Q142 PolarHBondContact O-N 2.9Å; Q142-K144 PolarHBondContact O-N 2.93Å
143D90.4Very high94.4Very high95 Ų9578.5 Ų78.551%0.50839%0.392SS..THydrogen-bonded Turntrans-8124.9-176.5-57.1-47.5000113.8A145 K146 Y147D143-A145 PolarHBondContact O-N 3.47Å; D143-K146 HydrophobicContact CB-CB 4.36Å; D143-K146 WeakPolarHBondContact O-CB 3.26Å; D143-K146 PolarHBondContact O-N 3.35Å; D143-Y147 HydrophobicContact CB-CE2 4.07Å; D143-Y147 WeakPolarHBondContact O-CD2 3.28Å; D143-Y147 PolarHBondContact O-N 2.93Å
144K92Very high94.5Very high77 Ų7778.1 Ų78.134%0.33539%0.39SS..Hα-helixtrans-55.6-38.9-179.4-68.8176.6-160.2-120.20112W138 E139 C141 Q142 K146 Y147 E148W138-K144 HydrophobicContact CH2-CB 4.08Å; W138-K144 HydrophobicContact CH2-CG 3.85Å; W138-K144 HydrophobicContact CZ2-CG 4.14Å; W138-K144 HydrophobicContact CZ3-CG 4.08Å; W138-K144 VanDerWaalsContact O-CE 3.24Å; W138-K144 WeakPolarHBondContact O-CE 3.49Å; W138-K144 PolarHBondContact O-NZ 3.13Å; E139-K144 WeakPolarHBondContact O-CE 2.87Å; E139-K144 PolarHBondContact O-NZ 3.36Å; C141-K144 HydrophobicContact CB-CG 4.3Å; C141-K144 WeakPolarHBondContact O-CE 3.45Å; C141-K144 WeakPolarHBondContact O-CG 3.3Å; Q142-K144 PolarHBondContact O-N 2.93Å; K144-K146 VanDerWaalsContact C-N 3.32Å; K144-K146 PolarHBondContact O-N 3.16Å; K144-Y147 PolarHBondContact O-N 3.15Å; K144-E148 WeakPolarHBondContact O-CB 3.47Å; K144-E148 PolarHBondContact O-N 3.01Å
145A94.7Very high94.6Very high79 Ų7983.8 Ų83.865%0.65342%0.415SS*.Hα-helixtrans-60.1-38.4178.400000112.9D143 E148 L149D143-A145 PolarHBondContact O-N 3.47Å; A145-E148 PolarHBondContact O-N 3.33Å; A145-L149 PolarHBondContact O-N 3.28Å
146K95.5Very high94.7Very high92 Ų9288 Ų8840%0.443%0.429SS..Hα-helixtrans-58-53.4174.1176-165.6165.3-157.60109.7E113 D143 K144 E148 L149 L150E113-K146 IonicContact OE1-NZ 2.89Å; E113-K146 PolarHBondContact OE1-NZ 3Å; E113-K146 IonicContact OE2-NZ 3Å; E113-K146 PolarHBondContact OE2-NZ 3.16Å; E113-K146 VanDerWaalsContact OE2-NZ 3.12Å; D143-K146 HydrophobicContact CB-CB 4.36Å; D143-K146 WeakPolarHBondContact O-CB 3.26Å; D143-K146 PolarHBondContact O-N 3.35Å; K144-K146 VanDerWaalsContact C-N 3.32Å; K144-K146 PolarHBondContact O-N 3.16Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E148 PolarHBondContact O-N 3.37Å; K146-L149 PolarHBondContact O-N 2.84Å; K146-L150 HydrophobicContact CG-CD1 4.04Å; K146-L150 WeakPolarHBondContact O-CD1 3.45Å; K146-L150 PolarHBondContact O-N 3.38Å; K146-L150 VanDerWaalsContact O-N 3.12Å
147Y96.1Very high94.7Very high3 Ų383.5 Ų83.51%0.01241%0.412CS..Hα-helixtrans-69.8-30.8-177-61.8-69000113.3A106 F109 F110 E113 F114 W138 D143 K144 L150 A151A106-Y147 WeakPolarHBondContact CA-O 3.31Å; A106-Y147 WeakPolarHBondContact CB-O 3.49Å; F109-Y147 HydrophobicContact CB-CD1 3.72Å; F109-Y147 HydrophobicContact CB-CE1 4.46Å; F110-Y147 HydrophobicContact CB-CD1 4.3Å; F110-Y147 HydrophobicContact CB-CD2 4.32Å; F110-Y147 HydrophobicContact CB-CE1 4.4Å; F110-Y147 HydrophobicContact CB-CE2 4.41Å; F110-Y147 HydrophobicContact CB-CG 4.26Å; F110-Y147 HydrophobicContact CD2-CD2 4.39Å; F110-Y147 AromaticContact CD2-CE2 3.89Å; F110-Y147 HydrophobicContact CD2-CE2 3.89Å; E113-Y147 HydrophobicContact CG-CE1 4.5Å; E113-Y147 PolarHBondContact OE2-OH 2.99Å; F114-Y147 WeakPolarHBondContact CE2-OH 3.42Å; W138-Y147 HydrophobicContact CH2-CD2 4.3Å; W138-Y147 HydrophobicContact CH2-CG 4.47Å; W138-Y147 AromaticContact CZ3-CD2 3.68Å; W138-Y147 HydrophobicContact CZ3-CD2 3.68Å; W138-Y147 HydrophobicContact CZ3-CG 4.13Å; D143-Y147 HydrophobicContact CB-CE2 4.07Å; D143-Y147 WeakPolarHBondContact O-CD2 3.28Å; D143-Y147 PolarHBondContact O-N 2.93Å; K144-Y147 PolarHBondContact O-N 3.15Å; Y147-L150 PolarHBondContact O-N 3.08Å; Y147-A151 WeakPolarHBondContact O-CB 3.37Å; Y147-A151 PolarHBondContact O-N 3.09Å
148E95.5Very high94.8Very high95 Ų9583.6 Ų83.644%0.44441%0.41SS..Hα-helixtrans-64.9-41.9173.3-167.158-140.600111.2A106 K144 A145 K146 L150 A151 Q152A106-E148 WeakPolarHBondContact CB-OE2 3.41Å; K144-E148 WeakPolarHBondContact O-CB 3.47Å; K144-E148 PolarHBondContact O-N 3.01Å; A145-E148 PolarHBondContact O-N 3.33Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E148 PolarHBondContact O-N 3.37Å; E148-L150 PolarHBondContact O-N 3.29Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.15Å; E148-A151 VanDerWaalsContact O-N 3.17Å; E148-Q152 WeakPolarHBondContact O-CG 3.39Å; E148-Q152 PolarHBondContact O-N 3.12Å
149L97.1Very high94.8Very high114 Ų11485.6 Ų85.660%0.59742%0.421SS*.Hα-helixtrans-62.9-41.4173.8-176.264.9000112A145 K146 A151 Q152 K153A145-L149 PolarHBondContact O-N 3.28Å; K146-L149 PolarHBondContact O-N 2.84Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.47Å; L149-Q152 PolarHBondContact O-N 3.21Å; L149-K153 PolarHBondContact O-N 3.37Å
150L95.9Very high94.9Very high59 Ų5983.7 Ų83.731%0.30941%0.413SS..Hα-helixtrans-61-41.3173.1-86.182.2000111.5F109 K146 Y147 E148 K153 D154F109-L150 HydrophobicContact CB-CD2 4.42Å; F109-L150 HydrophobicContact CD1-CB 4.31Å; F109-L150 HydrophobicContact CD1-CD2 3.78Å; F109-L150 HydrophobicContact CD2-CB 3.89Å; F109-L150 HydrophobicContact CE1-CB 4.47Å; F109-L150 HydrophobicContact CE1-CD2 4.22Å; F109-L150 HydrophobicContact CE2-CB 4.07Å; F109-L150 HydrophobicContact CG-CB 4.03Å; F109-L150 HydrophobicContact CG-CD2 4.09Å; F109-L150 HydrophobicContact CZ-CB 4.36Å; K146-L150 HydrophobicContact CG-CD1 4.04Å; K146-L150 WeakPolarHBondContact O-CD1 3.45Å; K146-L150 PolarHBondContact O-N 3.38Å; K146-L150 VanDerWaalsContact O-N 3.12Å; Y147-L150 PolarHBondContact O-N 3.08Å; E148-L150 PolarHBondContact O-N 3.29Å; L150-K153 PolarHBondContact O-N 3.11Å; L150-D154 WeakPolarHBondContact O-CB 3.32Å; L150-D154 PolarHBondContact O-N 3.02Å
151A97.1Very high95Very high9 Ų978.7 Ų78.77%0.07438%0.382CS..Hα-helixtrans-64.1-41.6177.100000112.5A106 Y147 E148 L149 D154 K155A106-A151 HydrophobicContact CB-CB 4.15Å; A106-A151 VanDerWaalsContact N-CB 3.33Å; Y147-A151 WeakPolarHBondContact O-CB 3.37Å; Y147-A151 PolarHBondContact O-N 3.09Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.15Å; E148-A151 VanDerWaalsContact O-N 3.17Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.47Å; A151-D154 PolarHBondContact O-N 2.97Å; A151-K155 WeakPolarHBondContact O-CB 3.39Å; A151-K155 PolarHBondContact O-N 2.91Å
152Q97.5Very high95.2Very high101 Ų10179.6 Ų79.647%0.47239%0.385SS..Hα-helixtrans-63.3-44.8174.9-71.5177.839.200111.7E148 L149 D154 K155 Q156E148-Q152 WeakPolarHBondContact O-CG 3.39Å; E148-Q152 PolarHBondContact O-N 3.12Å; L149-Q152 PolarHBondContact O-N 3.21Å; Q152-D154 VanDerWaalsContact C-N 3.3Å; Q152-D154 PolarHBondContact O-N 3.47Å; Q152-K155 WeakPolarHBondContact O-CB 3.48Å; Q152-K155 PolarHBondContact O-N 3.19Å; Q152-Q156 PolarHBondContact O-N 3.41Å
153K97.2Very high95.5Very high156 Ų15676.2 Ų76.268%0.67837%0.372SS*.Hα-helixtrans-61.4-40174.9-177.7169-178.2150.70111.9L149 L150 K155 Q156 R157L149-K153 PolarHBondContact O-N 3.37Å; L150-K153 PolarHBondContact O-N 3.11Å; K153-K155 VanDerWaalsContact C-N 3.34Å; K153-Q156 PolarHBondContact O-N 2.85Å; K153-R157 PolarHBondContact O-N 3.46Å
154D96.7Very high95.6Very high23 Ų2375.9 Ų75.912%0.12337%0.365CS..Hα-helixtrans-73.6-27.5178.4-161.960.2000113A103 W104 F109 L150 A151 Q152 R157 Y158A103-D154 VanDerWaalsContact CA-OD2 3.25Å; A103-D154 WeakPolarHBondContact CA-OD2 3.18Å; W104-D154 PolarHBondContact N-OD2 3.06Å; F109-D154 HydrophobicContact CE2-CB 3.88Å; F109-D154 HydrophobicContact CZ-CB 3.66Å; L150-D154 WeakPolarHBondContact O-CB 3.32Å; L150-D154 PolarHBondContact O-N 3.02Å; A151-D154 PolarHBondContact O-N 2.97Å; Q152-D154 VanDerWaalsContact C-N 3.3Å; Q152-D154 PolarHBondContact O-N 3.47Å; D154-R157 WeakPolarHBondContact O-CB 3.47Å; D154-R157 PolarHBondContact O-N 2.87Å; D154-R157 IonicContact OD1-CZ 2.82Å; D154-R157 IonicContact OD1-NE 3.42Å; D154-R157 PolarHBondContact OD1-NE 3.25Å; D154-R157 IonicContact OD1-NH2 3.37Å; D154-R157 PolarHBondContact OD1-NH2 2.85Å; D154-R157 IonicContact OD2-CZ 2.74Å; D154-R157 IonicContact OD2-NE 3.37Å; D154-R157 IonicContact OD2-NH2 2.82Å; D154-R157 PolarHBondContact OD2-NH2 3.37Å; D154-Y158 WeakPolarHBondContact O-CB 3.43Å; D154-Y158 PolarHBondContact O-N 2.93Å
155K96.7Very high95.6Very high120 Ų12075.7 Ų75.752%0.52236%0.363SS..Hα-helixtrans-61.5-48.7168.3-178.1-176.7172.8-170.50110.7A103 A151 Q152 K153 R157 Y158 E159A103-K155 HydrophobicContact CB-CB 4.38Å; A151-K155 WeakPolarHBondContact O-CB 3.39Å; A151-K155 PolarHBondContact O-N 2.91Å; Q152-K155 WeakPolarHBondContact O-CB 3.48Å; Q152-K155 PolarHBondContact O-N 3.19Å; K153-K155 VanDerWaalsContact C-N 3.34Å; K155-R157 PolarHBondContact O-N 2.84Å; K155-Y158 WeakPolarHBondContact O-CB 3.4Å; K155-Y158 PolarHBondContact O-N 3.3Å; K155-Y158 VanDerWaalsContact O-N 3.11Å; K155-E159 WeakPolarHBondContact CE-OE1 3.33Å; K155-E159 WeakPolarHBondContact CG-OE1 3.43Å; K155-E159 WeakPolarHBondContact O-CG 3.36Å; K155-E159 PolarHBondContact O-N 2.94Å
156Q97.2Very high95.5Very high112 Ų11281.9 Ų81.952%0.52337%0.37SS..Hα-helixtrans-59.2-45.6174.9-67.7173.51.600111.6Q152 K153 Y158 E159 E160Q152-Q156 PolarHBondContact O-N 3.41Å; K153-Q156 PolarHBondContact O-N 2.85Å; Q156-Y158 VanDerWaalsContact C-N 3.27Å; Q156-Y158 PolarHBondContact O-N 3.13Å; Q156-E159 PolarHBondContact O-N 3.36Å; Q156-E159 VanDerWaalsContact O-N 3.12Å; Q156-E160 PolarHBondContact O-N 3.4Å
157R95.5Very high95.4Very high51 Ų5180.7 Ų80.719%0.19238%0.377CS..Hα-helixtrans-54-44.8173.7179.8-85.1-69.5174.7-0.2111.8A101 K153 D154 K155 D161A101-R157 PolarHBondContact O-NH1 3.48Å; K153-R157 PolarHBondContact O-N 3.46Å; D154-R157 WeakPolarHBondContact O-CB 3.47Å; D154-R157 PolarHBondContact O-N 2.87Å; D154-R157 IonicContact OD1-CZ 2.82Å; D154-R157 IonicContact OD1-NE 3.42Å; D154-R157 PolarHBondContact OD1-NE 3.25Å; D154-R157 IonicContact OD1-NH2 3.37Å; D154-R157 PolarHBondContact OD1-NH2 2.85Å; D154-R157 IonicContact OD2-CZ 2.74Å; D154-R157 IonicContact OD2-NE 3.37Å; D154-R157 IonicContact OD2-NH2 2.82Å; D154-R157 PolarHBondContact OD2-NH2 3.37Å; K155-R157 PolarHBondContact O-N 2.84Å; R157-D161 VanDerWaalsContact CD-OD2 3.29Å; R157-D161 WeakPolarHBondContact CD-OD2 3.4Å; R157-D161 IonicContact NH1-OD2 3.12Å; R157-D161 WeakPolarHBondContact O-CB 3.48Å; R157-D161 PolarHBondContact O-N 3.3Å
158Y95.7Very high95.1Very high59 Ų5983.8 Ų83.823%0.23141%0.41CS..Hα-helixtrans-67.8-39179176.3-108.8000112.1P100 A101 R102 A103 D154 K155 Q156 D161 M162P100-Y158 HydrophobicContact CB-CD2 4.12Å; P100-Y158 HydrophobicContact CB-CE2 3.99Å; A101-Y158 WeakPolarHBondContact O-CD2 3.25Å; R102-Y158 HydrophobicContact CG-CE2 4.45Å; A103-Y158 HydrophobicContact CB-CD1 4.45Å; A103-Y158 HydrophobicContact CB-CG 4.21Å; D154-Y158 WeakPolarHBondContact O-CB 3.43Å; D154-Y158 PolarHBondContact O-N 2.93Å; K155-Y158 WeakPolarHBondContact O-CB 3.4Å; K155-Y158 PolarHBondContact O-N 3.3Å; K155-Y158 VanDerWaalsContact O-N 3.11Å; Q156-Y158 VanDerWaalsContact C-N 3.27Å; Q156-Y158 PolarHBondContact O-N 3.13Å; Y158-D161 PolarHBondContact O-N 3.46Å; Y158-M162 HydrophobicContact CD1-CG 4.19Å; Y158-M162 HydrophobicContact CD2-CG 4.12Å; Y158-M162 HydrophobicContact CE1-CG 3.78Å; Y158-M162 HydrophobicContact CE2-CG 3.73Å; Y158-M162 HydrophobicContact CE2-SD 3.92Å; Y158-M162 HydrophobicContact CG-CG 4.36Å; Y158-M162 VanDerWaalsContact O-CB 3.31Å; Y158-M162 WeakPolarHBondContact O-CB 3.48Å; Y158-M162 WeakPolarHBondContact O-CG 3.26Å; Y158-M162 PolarHBondContact O-N 3.05Å
159E95.5Very high94.9Very high91 Ų9183.8 Ų83.843%0.42542%0.417SS..Hα-helixtrans-62.3-47.2175.7-72.6166.4-175.400111.4K155 Q156 D161 M162 I163K155-E159 WeakPolarHBondContact CE-OE1 3.33Å; K155-E159 WeakPolarHBondContact CG-OE1 3.43Å; K155-E159 WeakPolarHBondContact O-CG 3.36Å; K155-E159 PolarHBondContact O-N 2.94Å; Q156-E159 PolarHBondContact O-N 3.36Å; Q156-E159 VanDerWaalsContact O-N 3.12Å; E159-D161 PolarHBondContact O-N 2.96Å; E159-M162 WeakPolarHBondContact O-CB 3.49Å; E159-M162 PolarHBondContact O-N 2.93Å; E159-M162 VanDerWaalsContact O-N 3.17Å; E159-I163 WeakPolarHBondContact O-CG1 3.33Å; E159-I163 PolarHBondContact O-N 3.36Å
160E95.5Very high94.5Very high107 Ų10779.8 Ų79.850%0.539%0.394SS..Hα-helixtrans-60.5-44.3174-70.6178.9-169.100112.6Q156 M162 I163 K164Q156-E160 PolarHBondContact O-N 3.4Å; E160-M162 VanDerWaalsContact C-N 3.27Å; E160-M162 PolarHBondContact O-N 3.06Å; E160-I163 PolarHBondContact O-N 3.06Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.13Å
161D94.6Very high94Very high4 Ų482.7 Ų82.72%0.02141%0.413CS..Hα-helixtrans-62.6-38176.3-76.3-9.1000110.9P100 R157 Y158 E159 K164 Y165 Y170 R173P100-D161 HydrophobicContact CB-CB 3.75Å; P100-D161 HydrophobicContact CG-CB 3.9Å; P100-D161 WeakPolarHBondContact CG-O 3.41Å; R157-D161 VanDerWaalsContact CD-OD2 3.29Å; R157-D161 WeakPolarHBondContact CD-OD2 3.4Å; R157-D161 IonicContact NH1-OD2 3.12Å; R157-D161 WeakPolarHBondContact O-CB 3.48Å; R157-D161 PolarHBondContact O-N 3.3Å; Y158-D161 PolarHBondContact O-N 3.46Å; E159-D161 PolarHBondContact O-N 2.96Å; D161-K164 PolarHBondContact O-N 2.85Å; D161-Y165 WeakPolarHBondContact O-CB 3.37Å; D161-Y165 PolarHBondContact O-N 3.23Å; D161-Y170 HydrophobicContact CB-CD2 3.99Å; D161-Y170 HydrophobicContact CB-CE2 3.63Å; D161-Y170 VanDerWaalsContact CG-CE2 3.47Å; D161-R173 IonicContact OD1-CZ 2.82Å; D161-R173 IonicContact OD1-NH2 2.8Å; D161-R173 PolarHBondContact OD1-NH2 3.32Å; D161-R173 IonicContact OD2-CZ 3.69Å; D161-R173 IonicContact OD2-NE 3.16Å; D161-R173 PolarHBondContact OD2-NE 3.28Å; D161-R173 IonicContact OD2-NH2 4Å; D161-R173 PolarHBondContact OD2-NH2 3.42Å
162M93.4Very high93.4Very high37 Ų3785.3 Ų85.318%0.18243%0.43CS..Hα-helixtrans-68.2-36.1176.1-77.7-62.2-58.700112.4P100 Y158 E159 E160 Y165 R166P100-M162 HydrophobicContact CB-CG 4.43Å; P100-M162 HydrophobicContact CB-SD 4.05Å; P100-M162 HydrophobicContact CG-CG 4.41Å; P100-M162 HydrophobicContact CG-SD 3.84Å; Y158-M162 HydrophobicContact CD1-CG 4.19Å; Y158-M162 HydrophobicContact CD2-CG 4.12Å; Y158-M162 HydrophobicContact CE1-CG 3.78Å; Y158-M162 HydrophobicContact CE2-CG 3.73Å; Y158-M162 HydrophobicContact CE2-SD 3.92Å; Y158-M162 HydrophobicContact CG-CG 4.36Å; Y158-M162 VanDerWaalsContact O-CB 3.31Å; Y158-M162 WeakPolarHBondContact O-CB 3.48Å; Y158-M162 WeakPolarHBondContact O-CG 3.26Å; Y158-M162 PolarHBondContact O-N 3.05Å; E159-M162 WeakPolarHBondContact O-CB 3.49Å; E159-M162 PolarHBondContact O-N 2.93Å; E159-M162 VanDerWaalsContact O-N 3.17Å; E160-M162 VanDerWaalsContact C-N 3.27Å; E160-M162 PolarHBondContact O-N 3.06Å; M162-Y165 HydrophobicContact CE-CD1 4.35Å; M162-Y165 PolarHBondContact O-N 2.85Å; M162-R166 WeakPolarHBondContact O-CB 3.4Å; M162-R166 VanDerWaalsContact O-CG 3.29Å; M162-R166 WeakPolarHBondContact O-CG 3.43Å; M162-R166 PolarHBondContact O-N 3.08Å
163I95.1Very high92.7Very high117 Ų11787.2 Ų87.260%0.643%0.433SS*.Hα-helixtrans-61.8-48.4172-68.4164.6000109.7E159 E160 Y165 R166 A167E159-I163 WeakPolarHBondContact O-CG1 3.33Å; E159-I163 PolarHBondContact O-N 3.36Å; E160-I163 PolarHBondContact O-N 3.06Å; I163-Y165 VanDerWaalsContact C-N 3.27Å; I163-Y165 PolarHBondContact O-N 2.97Å; I163-R166 PolarHBondContact O-N 3.48Å; I163-A167 WeakPolarHBondContact O-CB 3.48Å; I163-A167 PolarHBondContact O-N 3.05Å
164K94.1Very high91.7Very high87 Ų8788.7 Ų88.738%0.37844%0.442SS..Hα-helixtrans-60.9-37.1176-66.8165.3-170.3159.50111.8E160 D161 A167 G168 T169 Y170E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.13Å; D161-K164 PolarHBondContact O-N 2.85Å; K164-A167 CarbonylContact O-C 3.58Å; K164-A167 PolarHBondContact O-N 3.02Å; K164-G168 PolarHBondContact O-N 3.13Å; K164-T169 PolarHBondContact O-N 3.24Å; K164-T169 PolarHBondContact O-OG1 3.4Å; K164-Y170 HydrophobicContact CB-CD2 4.36Å; K164-Y170 PolarHBondContact O-N 2.93Å; K164-Y170 VanDerWaalsContact O-N 3.11Å
165Y92Very high90.2Very high73 Ų7395.8 Ų95.829%0.28647%0.472SS..Hα-helixtrans-67.9-45.4178.9178.2-106.8000111.7T98 V99 P100 D161 M162 I163 A167 G168 Y170T98-Y165 VanDerWaalsContact C-CE2 3.45Å; T98-Y165 WeakPolarHBondContact O-CD2 3.38Å; T98-Y165 WeakPolarHBondContact O-CE2 3.34Å; T98-Y165 WeakPolarHBondContact OG1-CE2 3.32Å; V99-Y165 HydrophobicContact CB-CE2 4.48Å; V99-Y165 HydrophobicContact CG2-CE1 4.03Å; V99-Y165 HydrophobicContact CG2-CE2 4.05Å; V99-Y165 WeakPolarHBondContact CG2-OH 3.39Å; P100-Y165 HydrophobicContact CG-CD2 4.48Å; P100-Y165 HydrophobicContact CG-CG 4.05Å; D161-Y165 WeakPolarHBondContact O-CB 3.37Å; D161-Y165 PolarHBondContact O-N 3.23Å; M162-Y165 HydrophobicContact CE-CD1 4.35Å; M162-Y165 PolarHBondContact O-N 2.85Å; I163-Y165 VanDerWaalsContact C-N 3.27Å; I163-Y165 PolarHBondContact O-N 2.97Å; Y165-A167 PolarHBondContact O-N 2.87Å; Y165-G168 PolarHBondContact O-N 2.95Å; Y165-Y170 HydrophobicContact CD2-CD1 4.36Å
166R91.6Very high88.1Confident209 Ų20999.5 Ų99.579%0.78949%0.488SS*.Hα-helixtrans-61.3-34.4173.2-70.3175.5-172.3-164.54.1111.9M162 I163 G168M162-R166 WeakPolarHBondContact O-CB 3.4Å; M162-R166 VanDerWaalsContact O-CG 3.29Å; M162-R166 WeakPolarHBondContact O-CG 3.43Å; M162-R166 PolarHBondContact O-N 3.08Å; I163-R166 PolarHBondContact O-N 3.48Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 2.98Å
167A93.4Very high85.7Confident67 Ų67102 Ų10255%0.55450%0.504SS*.THydrogen-bonded Turntrans-78.5-4.8174.400000114.2I163 K164 Y165 T169I163-A167 WeakPolarHBondContact O-CB 3.48Å; I163-A167 PolarHBondContact O-N 3.05Å; K164-A167 CarbonylContact O-C 3.58Å; K164-A167 PolarHBondContact O-N 3.02Å; Y165-A167 PolarHBondContact O-N 2.87Å; A167-T169 PolarHBondContact O-N 2.96Å
168G89.6Confident83.2Confident68 Ų68104.9 Ų104.970%0.70154%0.539SS*.THydrogen-bonded Turntrans719.4-177.100000115.2K164 Y165 R166K164-G168 PolarHBondContact O-N 3.13Å; Y165-G168 PolarHBondContact O-N 2.95Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 2.98Å
169T91.1Very high80.5Confident96 Ų96105.7 Ų105.759%0.58957%0.565SS**  trans-1020.2-178.357.60000113.4K164 A167 V171K164-T169 PolarHBondContact O-N 3.24Å; K164-T169 PolarHBondContact O-OG1 3.4Å; A167-T169 PolarHBondContact O-N 2.96Å; T169-V171 PolarHBondContact O-N 3.38Å
170Y89.2Confident77.7Confident30 Ų30105.7 Ų105.712%0.11858%0.581CS.*PPolyproline II helixtrans-70.7123.7178.1179-106.3000111.9T98 P100 D161 K164 Y165 P172T98-Y170 WeakPolarHBondContact O-CD1 3.48Å; T98-Y170 WeakPolarHBondContact O-CE1 3.25Å; P100-Y170 HydrophobicContact CB-CE1 4.28Å; P100-Y170 HydrophobicContact CB-CE2 4.39Å; P100-Y170 HydrophobicContact CG-CD1 3.94Å; P100-Y170 HydrophobicContact CG-CD2 4.17Å; P100-Y170 HydrophobicContact CG-CE1 3.83Å; P100-Y170 HydrophobicContact CG-CE2 4.1Å; P100-Y170 HydrophobicContact CG-CG 4.09Å; D161-Y170 HydrophobicContact CB-CD2 3.99Å; D161-Y170 HydrophobicContact CB-CE2 3.63Å; D161-Y170 VanDerWaalsContact CG-CE2 3.47Å; K164-Y170 HydrophobicContact CB-CD2 4.36Å; K164-Y170 PolarHBondContact O-N 2.93Å; K164-Y170 VanDerWaalsContact O-N 3.11Å; Y165-Y170 HydrophobicContact CD2-CD1 4.36Å; Y170-P172 HydrophobicContact CD1-CG 4.25Å; Y170-P172 HydrophobicContact CE1-CB 4.25Å; Y170-P172 HydrophobicContact CE1-CG 3.99Å
171V86.2Confident75Confident119 Ų119107 Ų10772%0.72160%0.595SS**PPolyproline II helixtrans-99.1119168.8-67.10000109.5T169 R173T169-V171 PolarHBondContact O-N 3.38Å; V171-R173 PolarHBondContact O-N 2.89Å
172P84Confident72.1Confident64 Ų64112.2 Ų112.242%0.41663%0.632SS.*PPolyproline II helixtrans-58.4129.2174.3-27.136.4000111.3P97 Y170 E174P97-P172 WeakPolarHBondContact O-CB 3.26Å; P97-P172 WeakPolarHBondContact O-CG 3.38Å; Y170-P172 HydrophobicContact CD1-CG 4.25Å; Y170-P172 HydrophobicContact CE1-CB 4.25Å; Y170-P172 HydrophobicContact CE1-CG 3.99Å; P172-E174 PolarHBondContact O-N 2.86Å
173R82.1Confident69.1Low141 Ų141118.7 Ų118.753%0.53267%0.668SS.*PPolyproline II helixtrans-66.3122174.3-44.3169.7-170.5-95.2-3.2107.8D161 V171 K175D161-R173 IonicContact OD1-CZ 2.82Å; D161-R173 IonicContact OD1-NH2 2.8Å; D161-R173 PolarHBondContact OD1-NH2 3.32Å; D161-R173 IonicContact OD2-CZ 3.69Å; D161-R173 IonicContact OD2-NE 3.16Å; D161-R173 PolarHBondContact OD2-NE 3.28Å; D161-R173 IonicContact OD2-NH2 4Å; D161-R173 PolarHBondContact OD2-NH2 3.42Å; V171-R173 PolarHBondContact O-N 2.89Å; R173-K175 PolarHBondContact O-N 3.43Å
174E76.5Confident66.2Low188 Ų188118.3 Ų118.388%0.87968%0.675SS**  trans-61.3109.8172.6-70.7-173.6173.500109.3P172 K176P172-E174 PolarHBondContact O-N 2.86Å; E174-K176 PolarHBondContact O-N 3.1Å
175K66.4Low63.2Low171 Ų171118.9 Ų118.974%0.74370%0.696SS**  trans-68.2100.6170.8-68178.4-177.4173.60106.9R173 L177R173-K175 PolarHBondContact O-N 3.43Å; K175-L177 PolarHBondContact O-N 3.36Å
176K52.6Low60.5Low199 Ų199120.3 Ų120.387%0.86572%0.717SS**  trans-53.2110.4163-72.1-175.6179.7178.40106.5E174 A178E174-K176 PolarHBondContact O-N 3.1Å; K176-A178 VanDerWaalsContact C-N 3.31Å; K176-A178 PolarHBondContact O-N 2.92Å
177L45.8Very low57.6Low164 Ų164117.3 Ų117.386%0.85972%0.715SS**  trans-60.198.7173.5-72.2161.9000106.5K175 G179K175-L177 PolarHBondContact O-N 3.36Å; L177-G179 PolarHBondContact O-N 3.15Å
178A44Very low54.6Low112 Ų112124.4 Ų124.493%0.92673%0.727SS**THydrogen-bonded Turntrans-68.677.9173.500000108.8K176K176-A178 VanDerWaalsContact C-N 3.31Å; K176-A178 PolarHBondContact O-N 2.92Å
179G39Very low51.8Low75 Ų75127 Ų12777%0.77373%0.73SS**THydrogen-bonded Turntrans-1531.6176.600000112.9L177L177-G179 PolarHBondContact O-N 3.15Å
180A36.8Very low49.7Very low92 Ų92127.6 Ų127.676%0.7674%0.736SS**  trans-122.464.2172.200000109.8
181V38.7Very low46.8Very low134 Ų134133.2 Ų133.281%0.81276%0.763SS**  trans-125.4110.8158.8-70.30000108.6
182S32.2Very low44.7Very low114 Ų114134.5 Ų134.580%0.79777%0.771SS**  trans-59.5139174.4-53.50000110.9S184S182-S184 PolarHBondContact O-N 2.96Å
183N31.8Very low42.2Very low173 Ų173138.2 Ų138.293%0.92578%0.783SS**  trans-57.6104.7160-67.8-18.9000108.1
184S33.4Very low40Very low108 Ų108138.9 Ų138.976%0.75580%0.797SS**  trans-127.599.2161.9-166.10000108S182S182-S184 PolarHBondContact O-N 2.96Å
185A30.8Very low38.5Very low99 Ų99135.5 Ų135.582%0.81879%0.791SS**  trans-66125.4162.500000109.2
186S35.9Very low36.6Very low103 Ų103134.3 Ų134.372%0.7279%0.793SS**  trans-158.291.4152.4-158.60000106.8
187I30.5Very low35.9Very low146 Ų146130 Ų13075%0.74979%0.786SS**  69.299.9100.9-65.6177.1000113.4
188R31.1Very low35.3Very low216 Ų216126.9 Ų126.982%0.81577%0.774SS**  56.6116127.6-62.9-178.2167.9-125.4-2121.9
189T29.2Very low34.5Very low124 Ų124127.5 Ų127.576%0.76177%0.767SS**  69.9160.212658.30000121.1
190P48.2Very low34.4Very low108 Ų108130.2 Ų130.270%0.70177%0.768SS**  cis-137.8169.3-43.839-22.3000113.9
191E28.8Very low33.9Very low147 Ų147131.7 Ų131.769%0.68777%0.768SS**  trans45.1108.5137.8-160.2173.7144.900121Q193E191-Q193 HydrophobicContact CG-CG 4.38Å; E191-Q193 PolarHBondContact OE1-NE2 3.35Å
192T40.8Very low33.6Very low147 Ų147130.7 Ų130.790%0.90277%0.767SS**  trans-137.3126.8139.4-58.20000109.2
193Q32.6Very low33.7Very low142 Ų142130.2 Ų130.266%0.66477%0.77SS**  trans-77.7145.5-177.7-59.8167.47.400111.4E191E191-Q193 HydrophobicContact CG-CG 4.38Å; E191-Q193 PolarHBondContact OE1-NE2 3.35Å
194N35.3Very low33.7Very low155 Ų155126 Ų12683%0.82977%0.767SS**  trans20.2158.1140.4-65.1-29000120.4
195P44.3Very low33.5Very low116 Ų116124.7 Ų124.775%0.75377%0.771SS**  cis-146.5169.827.532.1-7.1000117.6
196D27.5Very low33.5Very low147 Ų147126.4 Ų126.479%0.78677%0.766SS**  trans36123.4134.9-138.9-63.8000120.4
197C38.3Very low33.3Very low107 Ų107128.9 Ų128.972%0.72377%0.767SS**  -170110.6125.3-149.40000111.9
198T31.6Very low33.5Very low99 Ų99130.1 Ų130.161%0.60778%0.775SS**  trans56.3104.5137.1630000121.4
199T27.5Very low33.5Very low126 Ų126123 Ų12377%0.77377%0.768SS**  22.2113115.559.50000118.9
200V37.2Very low34Very low132 Ų132122.1 Ų122.180%0.877%0.773SS**  trans-143.3102.3139.7-74.10000106.8
201T26.5Very low33.4Very low122 Ų122126 Ų12675%0.74878%0.782SS**  47.4106.897.961.50000114.6
202S33.4Very low33.6Very low114 Ų114126.3 Ų126.380%0.79779%0.788SS**  trans161105.8131.9-74.50000107
203A32.6Very low33.9Very low104 Ų104128.3 Ų128.386%0.8679%0.787SS**  90115.88800000110.1
204G31.8Very low33.8Very low83 Ų83128.4 Ų128.486%0.85679%0.792SS**  trans164.775170.100000114.6
205G30.2Very low34.1Very low81 Ų81129.5 Ų129.584%0.83579%0.792SS**  trans79.981.8136.400000117.4
206D29.8Very low34.2Very low136 Ų136130.9 Ų130.973%0.72779%0.793SS**  trans-67.8137.6155.8-92-58.6000111.9
207E31.7Very low34.7Very low155 Ų155130.8 Ų130.872%0.72479%0.793SS**  71.7114.8127.7-59.7171.2161.200120.1
208N35.4Very low34.4Very low172 Ų172128.8 Ų128.892%0.9279%0.79SS**  166.9124.5128.7-84.4-51.1000106
209G31.3Very low34.9Very low65 Ų65132.9 Ų132.967%0.6780%0.802SS**  cis146.987.225.700000103.4E211G209-E211 PolarHBondContact O-N 2.8Å
210A38.3Very low35.6Very low106 Ų106132.3 Ų132.388%0.87680%0.801SS**  trans-84.689.9176.300000107.2
211E37.1Very low35.7Very low191 Ų191132.7 Ų132.789%0.89380%0.798SS**  trans-65.6139171.7-71.9-174117.900110.4G209G209-E211 PolarHBondContact O-N 2.8Å
212L33Very low36.4Very low153 Ų153136.2 Ų136.280%0.80181%0.806SS**  trans-75.2131.7176-65.1151.9000108.6
213E45.9Very low36.4Very low188 Ų188133.5 Ų133.588%0.87980%0.797SS**  trans-133.5103.5151.1-69.7-173166.300107.7
214D31.6Very low36.5Very low144 Ų144136.7 Ų136.777%0.7779%0.794SS**  trans-65.7130.2154.8-66.3-70.1000108.3
215E41.9Very low36.7Very low178 Ų178141.2 Ų141.283%0.83279%0.793SS**  trans-175.2101.9158-104.8162.5-164.600105.7
216D45.1Very low37.4Very low145 Ų145150.4 Ų150.478%0.77581%0.814SS**  75.9160.185.9-162.740.5000112.3
217D39.4Very low37.7Very low146 Ų146151.1 Ų151.178%0.78182%0.818SS**  trans82.8103.9-173.6-71.2-50.6000113.8
218G30.2Very low38.1Very low65 Ų65150.9 Ų150.967%0.6782%0.823SS**  cis83.781.337.100000108.8
219E43.5Very low38.2Very low184 Ų184149.7 Ų149.786%0.8682%0.818SS**  trans-149.699157.2-155.6168.5170.800108.9
220P41.1Very low38.6Very low114 Ų114154.7 Ų154.774%0.7483%0.826SS**  trans-81.9167152.136.3-27.7000108.6
221D40.6Very low38.6Very low141 Ų141157.8 Ų157.875%0.75482%0.823SS**  trans96.180162.3-150.645.4000116G223D221-G223 PolarHBondContact OD1-N 2.65Å
222E40Very low38.7Very low195 Ų195155.5 Ų155.591%0.91182%0.818SS**  trans-120.578.7135.9-67.2-171.6-16200106.8
223G33.2Very low39.1Very low58 Ų58155.7 Ų155.760%0.59882%0.82SS**  trans-78.1101145.600000108.1D221D221-G223 PolarHBondContact OD1-N 2.65Å
224E36.4Very low38.6Very low170 Ų170153.2 Ų153.279%0.79482%0.815SS**  trans-135.1102.1153.9-77.3-164.817200109.6
225E35.9Very low39.2Very low179 Ų179154 Ų15484%0.83682%0.819SS**  trans82.3115.6134.2-54.2-165.8160.500119.5
226E43.3Very low39Very low273 Ų273151.8 Ų151.8100%1.27682%0.818SS**  trans75.20167.2-66.2-163.8144.700120.3

Retrieved 226 of 226 residues in 68.1 ms (Link to these results)

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