A0A087Y0N0_POEFO Loading...

AKT1 substrate 1 (proline-rich)

AlphaFold DB , UniProt , Accession A0A087Y0N0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 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
1M31.9Very low40.9Very low242 Ų242130 Ų130100%1.19274%0.742SS**  0100.60-63.4-56-173.200108.4
2A30.5Very low42.9Very low96 Ų96122.3 Ų122.379%0.79370%0.696SS**  trans-107.4117174.400000108.1V4A2-V4 PolarHBondContact O-N 3.3Å
3S34.7Very low44Very low114 Ų114120.8 Ų120.880%0.79769%0.694SS**  trans-73.5108.7-176.6-560000110.4T5S3-T5 PolarHBondContact O-N 2.82Å
4V36.2Very low45.2Very low107 Ų107120.6 Ų120.665%0.64869%0.689SS**  trans-74.791.3173.9-176.60000108.9A2 H6A2-V4 PolarHBondContact O-N 3.3Å; V4-H6 PolarHBondContact O-N 3.1Å; V4-H6 VanDerWaalsContact O-N 3.07Å
5T36.6Very low46.8Very low118 Ų118122.6 Ų122.672%0.72470%0.697SS**  trans-71.698165.951.10000108.6S3 S7S3-T5 PolarHBondContact O-N 2.82Å; T5-S7 PolarHBondContact O-N 3.3Å
6H32.9Very low48.8Very low172 Ų172122.6 Ų122.680%0.79669%0.689SS**  trans-67.876.2170.6-71.9-83.5000110.6V4 S8V4-H6 PolarHBondContact O-N 3.1Å; V4-H6 VanDerWaalsContact O-N 3.07Å; H6-S8 PolarHBondContact O-N 3.25Å; H6-S8 VanDerWaalsContact O-N 3.09Å
7S38.8Very low50.8Low101 Ų101120.4 Ų120.471%0.70667%0.67SS**  trans-72.299.9166.755.90000108.6T5 E9T5-S7 PolarHBondContact O-N 3.3Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.99Å
8S46Very low52.9Low91 Ų91121.9 Ų121.964%0.63667%0.671SS**  trans-63.193.2166.349.90000108.9H6 R75H6-S8 PolarHBondContact O-N 3.25Å; H6-S8 VanDerWaalsContact O-N 3.09Å; S8-R75 PolarHBondContact O-NH1 2.81Å
9E49.1Very low54.8Low175 Ų175119.7 Ų119.782%0.81867%0.666SS**  trans-52.1120.6-173.8-160.6168.9-155.500109.6S7 E11S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.99Å; E9-E11 PolarHBondContact O-N 3.41Å
10P55.2Low56.5Low26 Ų26116.1 Ų116.117%0.16964%0.641CS.*  trans-68.4127174.117.9-16.8000108.3I12 W77P10-I12 HydrophobicContact CB-CG1 4.34Å; P10-I12 HydrophobicContact CG-CD1 4.32Å; P10-I12 HydrophobicContact CG-CG1 4.38Å; P10-I12 PolarHBondContact O-N 3.17Å; P10-W77 HydrophobicContact CB-CZ2 4.33Å; P10-W77 HydrophobicContact CG-CH2 3.2Å; P10-W77 HydrophobicContact CG-CZ2 3.33Å; P10-W77 HydrophobicContact CG-CZ3 4.38Å
11E58.6Low58.1Low188 Ų188115.3 Ų115.388%0.87964%0.635SS**  trans-6679164.6-167177.3-174.300109.3E9E9-E11 PolarHBondContact O-N 3.41Å
12I64.3Low60.9Low38 Ų38106.4 Ų106.420%0.19560%0.6CS.*  trans-66.5131.8166.4-63.8151.7000106.1P10 D14 K17 W20P10-I12 HydrophobicContact CB-CG1 4.34Å; P10-I12 HydrophobicContact CG-CD1 4.32Å; P10-I12 HydrophobicContact CG-CG1 4.38Å; P10-I12 PolarHBondContact O-N 3.17Å; I12-D14 PolarHBondContact O-N 3Å; I12-D14 VanDerWaalsContact O-N 3.11Å; I12-K17 HydrophobicContact CB-CG 4.27Å; I12-K17 HydrophobicContact CG2-CG 4.34Å; I12-K17 WeakPolarHBondContact O-CE 3.34Å; I12-W20 HydrophobicContact CD1-CB 4.3Å; I12-W20 HydrophobicContact CD1-CG 3.84Å
13P57.4Low63.9Low103 Ų103105.8 Ų105.867%0.66958%0.583SS**  trans-49.2121.6176.5-2935.6000111.1N15 H16P13-N15 PolarHBondContact O-N 3.38Å; P13-H16 PolarHBondContact O-N 2.85Å; P13-H16 VanDerWaalsContact O-N 3.13Å
14D60.5Low66.6Low117 Ų117102.2 Ų102.263%0.62656%0.555SS**G310 helixtrans-51.6-37.3-157.1-158.131000114.1I12 H16 K17I12-D14 PolarHBondContact O-N 3Å; I12-D14 VanDerWaalsContact O-N 3.11Å; D14-H16 PolarHBondContact O-N 3.04Å; D14-K17 PolarHBondContact O-N 3.27Å; D14-K17 WeakPolarHBondContact OD1-CD 3.47Å; D14-K17 WeakPolarHBondContact OD1-CE 3.12Å; D14-K17 IonicContact OD1-NZ 2.7Å; D14-K17 PolarHBondContact OD1-NZ 3.2Å
15N68.8Low69.2Low151 Ų151100.3 Ų100.381%0.80755%0.547SS*.G310 helixtrans-58.6-11.7-178.7-73.2-18.4000116.4P13P13-N15 PolarHBondContact O-N 3.38Å
16H78.9Confident72Confident123 Ų12397.5 Ų97.557%0.56954%0.535SS*.G310 helixtrans-130.613-176.3-60.8-52.3000115.4P13 D14 E18 S19 W20P13-H16 PolarHBondContact O-N 2.85Å; P13-H16 VanDerWaalsContact O-N 3.13Å; D14-H16 PolarHBondContact O-N 3.04Å; H16-E18 PolarHBondContact O-N 3.31Å; H16-S19 PolarHBondContact O-N 3.07Å; H16-W20 PolarHBondContact O-N 3.12Å
17K83.5Confident74.8Confident84 Ų8490 Ų9037%0.36550%0.503SS..Hα-helixtrans-55.8-48.8-179.7-73.5175176.2166.80113.2I12 D14 S19 W20 L21I12-K17 HydrophobicContact CB-CG 4.27Å; I12-K17 HydrophobicContact CG2-CG 4.34Å; I12-K17 WeakPolarHBondContact O-CE 3.34Å; D14-K17 PolarHBondContact O-N 3.27Å; D14-K17 WeakPolarHBondContact OD1-CD 3.47Å; D14-K17 WeakPolarHBondContact OD1-CE 3.12Å; D14-K17 IonicContact OD1-NZ 2.7Å; D14-K17 PolarHBondContact OD1-NZ 3.2Å; K17-S19 VanDerWaalsContact C-N 3.35Å; K17-S19 PolarHBondContact O-N 3.06Å; K17-W20 WeakPolarHBondContact O-CB 3.4Å; K17-W20 PolarHBondContact O-N 3.45Å; K17-W20 VanDerWaalsContact O-N 3.07Å; K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.26Å
18E87.6Confident77.3Confident149 Ų14990.8 Ų90.870%0.69650%0.496SS*.Hα-helixtrans-59.3-43.3178.6-61.4-54.1141.100112.6H16 W20 L21 A22H16-E18 PolarHBondContact O-N 3.31Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.81Å; E18-L21 PolarHBondContact O-N 2.95Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.1Å
19S89.6Confident79.5Confident80 Ų8087.9 Ų87.956%0.55948%0.477SS*.Hα-helixtrans-65.3-33176.5-520000112.2H16 K17 L23H16-S19 PolarHBondContact O-N 3.07Å; K17-S19 VanDerWaalsContact C-N 3.35Å; K17-S19 PolarHBondContact O-N 3.06Å; S19-L23 WeakPolarHBondContact O-CB 3.46Å; S19-L23 PolarHBondContact O-N 3.01Å
20W88.4Confident81.6Confident47 Ų4785.6 Ų85.618%0.17846%0.462CS..Hα-helixtrans-70.5-44175.3-167.8-104.3000112.2I12 H16 K17 E18 A22 L23 L24 I40 T42 W77I12-W20 HydrophobicContact CD1-CB 4.3Å; I12-W20 HydrophobicContact CD1-CG 3.84Å; H16-W20 PolarHBondContact O-N 3.12Å; K17-W20 WeakPolarHBondContact O-CB 3.4Å; K17-W20 PolarHBondContact O-N 3.45Å; K17-W20 VanDerWaalsContact O-N 3.07Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.81Å; W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3.28Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CH2-CD2 4.24Å; W20-L23 HydrophobicContact CZ3-CD2 3.68Å; W20-L23 WeakPolarHBondContact O-CB 3.19Å; W20-L23 PolarHBondContact O-N 3.46Å; W20-L24 HydrophobicContact CZ2-CD2 4.44Å; W20-L24 WeakPolarHBondContact O-CG 3.44Å; W20-L24 PolarHBondContact O-N 3.38Å; W20-I40 HydrophobicContact CH2-CG2 3.69Å; W20-I40 HydrophobicContact CZ2-CG2 4.13Å; W20-T42 HydrophobicContact CH2-CG2 3.23Å; W20-T42 HydrophobicContact CZ2-CG2 3.39Å; W20-T42 HydrophobicContact CZ3-CG2 4.21Å; W20-W77 AromaticContact CZ2-CD1 3.9Å; W20-W77 HydrophobicContact CZ2-CD2 4.46Å; W20-W77 AromaticContact CZ2-CE2 3.97Å; W20-W77 HydrophobicContact CZ2-CG 4.36Å; W20-W77 HydrophobicContact CZ2-CZ2 4.43Å; W20-W77 AromaticContact CZ2-NE1 3.68Å; W20-W77 AromaticContact NE1-CE2 3.73Å; W20-W77 AromaticContact NE1-CH2 3.71Å; W20-W77 AromaticContact NE1-CZ2 3.42Å
21L89.7Confident83.4Confident99 Ų9986 Ų8652%0.51847%0.465SS..Hα-helixtrans-64-38174.8-66.4173.6000111.9K17 E18 L23 L24 S25K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.26Å; E18-L21 PolarHBondContact O-N 2.95Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3.13Å; L21-S25 WeakPolarHBondContact O-CB 3.44Å; L21-S25 PolarHBondContact O-N 2.77Å; L21-S25 PolarHBondContact O-OG 3.05Å
22A92.8Very high84.9Confident55 Ų5584 Ų8446%0.45546%0.456SS..Hα-helixtrans-63.4-38.5172.500000112.1E18 W20 S25 A26E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.1Å; W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3.28Å; A22-S25 PolarHBondContact O-OG 3.26Å; A22-A26 WeakPolarHBondContact O-CB 3.3Å; A22-A26 PolarHBondContact O-N 2.84Å
23L92.3Very high86.4Confident83 Ų8390.7 Ų90.744%0.43548%0.483SS..Hα-helixtrans-68.1-45.1175.8178.863000111.8S19 W20 L21 A26 A27 I40S19-L23 WeakPolarHBondContact O-CB 3.46Å; S19-L23 PolarHBondContact O-N 3.01Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CH2-CD2 4.24Å; W20-L23 HydrophobicContact CZ3-CD2 3.68Å; W20-L23 WeakPolarHBondContact O-CB 3.19Å; W20-L23 PolarHBondContact O-N 3.46Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.36Å; L23-I40 HydrophobicContact CG-CD1 4.28Å
24L90.8Very high88.1Confident39 Ų3988.1 Ų88.120%0.20447%0.468CS..Hα-helixtrans-63.1-44.4178.6-69.4177.2000111.9W20 L21 A27 E28 I40 W77W20-L24 HydrophobicContact CZ2-CD2 4.44Å; W20-L24 WeakPolarHBondContact O-CG 3.44Å; W20-L24 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 3.13Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-E28 PolarHBondContact O-N 2.89Å; L24-I40 HydrophobicContact CD2-CD1 4.27Å; L24-W77 HydrophobicContact CD1-CD2 4.47Å; L24-W77 HydrophobicContact CD1-CE3 3.83Å; L24-W77 HydrophobicContact CD1-CH2 4.34Å; L24-W77 HydrophobicContact CD1-CZ3 3.77Å; L24-W77 HydrophobicContact CD2-CB 3.87Å; L24-W77 HydrophobicContact CD2-CD2 4.2Å; L24-W77 HydrophobicContact CD2-CE3 4.12Å; L24-W77 HydrophobicContact CD2-CG 4.16Å
25S91.9Very high89.5Confident68 Ų6886 Ų8648%0.47647%0.474SS..Hα-helixtrans-68.6-36.3177.354.60000112.8L21 A22 E28 A29L21-S25 WeakPolarHBondContact O-CB 3.44Å; L21-S25 PolarHBondContact O-N 2.77Å; L21-S25 PolarHBondContact O-OG 3.05Å; A22-S25 PolarHBondContact O-OG 3.26Å; S25-E28 PolarHBondContact O-N 2.79Å; S25-A29 VanDerWaalsContact O-CB 3.3Å; S25-A29 WeakPolarHBondContact O-CB 3.21Å; S25-A29 PolarHBondContact O-N 3.31Å
26A94.3Very high90.5Very high59 Ų5981.8 Ų81.849%0.48846%0.455SS..Hα-helixtrans-65.7-38.2172.300000112.5A22 L23 Y30A22-A26 WeakPolarHBondContact O-CB 3.3Å; A22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.15Å; A26-Y30 WeakPolarHBondContact O-CB 3.33Å; A26-Y30 PolarHBondContact O-N 3.31Å
27A92.4Very high91.1Very high15 Ų1579.4 Ų79.412%0.12445%0.447CS..Hα-helixtrans-64.6-46.4174.600000111.6L23 L24 Y30 C31 L38 I40L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.36Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-Y30 WeakPolarHBondContact O-CB 3.44Å; A27-Y30 PolarHBondContact O-N 3.5Å; A27-Y30 VanDerWaalsContact O-N 3.16Å; A27-C31 PolarHBondContact O-N 3.2Å; A27-C31 PolarHBondContact O-SG 3.27Å; A27-L38 HydrophobicContact CB-CD2 3.75Å; A27-I40 HydrophobicContact CB-CD1 3.89Å
28E90.9Very high91.6Very high116 Ų11678.3 Ų78.354%0.54245%0.445SS..Hα-helixtrans-61.5-46.9175.5-169.3-171.7165.400111.7L24 S25 Y30 C31 Q32L24-E28 PolarHBondContact O-N 2.89Å; S25-E28 PolarHBondContact O-N 2.79Å; E28-Y30 PolarHBondContact O-N 3.27Å; E28-C31 WeakPolarHBondContact O-CB 3.44Å; E28-C31 PolarHBondContact O-N 3.05Å; E28-C31 VanDerWaalsContact O-N 3.09Å; E28-Q32 WeakPolarHBondContact O-CG 3.35Å; E28-Q32 PolarHBondContact O-N 3.5Å; E28-Q32 PolarHBondContact OE1-NE2 2.75Å
29A93.3Very high91.9Very high30 Ų3072.6 Ų72.625%0.24842%0.423CS..Hα-helixtrans-62.1-28.1176.400000112.5S25 K33S25-A29 VanDerWaalsContact O-CB 3.3Å; S25-A29 WeakPolarHBondContact O-CB 3.21Å; S25-A29 PolarHBondContact O-N 3.31Å; A29-K33 WeakPolarHBondContact O-CB 3.27Å; A29-K33 VanDerWaalsContact O-CD 3.24Å; A29-K33 WeakPolarHBondContact O-CD 3.44Å; A29-K33 WeakPolarHBondContact O-CG 3.47Å; A29-K33 PolarHBondContact O-N 2.88Å
30Y93.6Very high92Very high127 Ų12770.4 Ų70.450%0.49841%0.405SS..Hα-helixtrans-71-45.6171.3177.3-96.5000111.7A26 A27 E28 Q32 K33 S34 C36 L38A26-Y30 WeakPolarHBondContact O-CB 3.33Å; A26-Y30 PolarHBondContact O-N 3.31Å; A27-Y30 WeakPolarHBondContact O-CB 3.44Å; A27-Y30 PolarHBondContact O-N 3.5Å; A27-Y30 VanDerWaalsContact O-N 3.16Å; E28-Y30 PolarHBondContact O-N 3.27Å; Y30-Q32 PolarHBondContact O-N 2.95Å; Y30-K33 PolarHBondContact O-N 3.34Å; Y30-S34 WeakPolarHBondContact O-CB 3.31Å; Y30-S34 PolarHBondContact O-N 3.35Å; Y30-S34 PolarHBondContact O-OG 3.15Å; Y30-C36 HydrophobicContact CE1-CB 4.24Å; Y30-L38 HydrophobicContact CD1-CD2 4.24Å
31C91.5Very high92.2Very high36 Ų3671.8 Ų71.824%0.24342%0.415CS..Hα-helixtrans-56.8-48.5174.8-57.70000111.3A27 E28 K33 S34 G35 C36 L38A27-C31 PolarHBondContact O-N 3.2Å; A27-C31 PolarHBondContact O-SG 3.27Å; E28-C31 WeakPolarHBondContact O-CB 3.44Å; E28-C31 PolarHBondContact O-N 3.05Å; E28-C31 VanDerWaalsContact O-N 3.09Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.1Å; C31-S34 PolarHBondContact O-N 2.98Å; C31-G35 WeakPolarHBondContact O-CA 3.46Å; C31-G35 PolarHBondContact O-N 3.36Å; C31-C36 WeakPolarHBondContact CA-O 3.39Å; C31-C36 WeakPolarHBondContact CB-O 3.36Å; C31-C36 PolarHBondContact SG-O 2.97Å; C31-L38 VanDerWaalsContact SG-CB 3.54Å
32Q91.6Very high92.2Very high144 Ų14468.3 Ų68.367%0.67340%0.398SS*.Hα-helixtrans-60.4-34.7178.5-67.8176.17.400113.1E28 Y30E28-Q32 WeakPolarHBondContact O-CG 3.35Å; E28-Q32 PolarHBondContact O-N 3.5Å; E28-Q32 PolarHBondContact OE1-NE2 2.75Å; Y30-Q32 PolarHBondContact O-N 2.95Å
33K95Very high92.1Very high179 Ų17967.8 Ų67.878%0.77839%0.394SS*.Hα-helixtrans-83.2-33.3-179.5-73.2168.7-169.2172.40114.1A29 Y30 C31A29-K33 WeakPolarHBondContact O-CB 3.27Å; A29-K33 VanDerWaalsContact O-CD 3.24Å; A29-K33 WeakPolarHBondContact O-CD 3.44Å; A29-K33 WeakPolarHBondContact O-CG 3.47Å; A29-K33 PolarHBondContact O-N 2.88Å; Y30-K33 PolarHBondContact O-N 3.34Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.1Å
34S92.7Very high91.8Very high49 Ų4967 Ų6734%0.34340%0.395SS..Hα-helixtrans-99.3-22.1-173.260.70000113.6Y30 C31 C36Y30-S34 WeakPolarHBondContact O-CB 3.31Å; Y30-S34 PolarHBondContact O-N 3.35Å; Y30-S34 PolarHBondContact O-OG 3.15Å; C31-S34 PolarHBondContact O-N 2.98Å; S34-C36 PolarHBondContact O-N 3.02Å; S34-C36 WeakPolarHBondContact OG-CB 3.47Å; S34-C36 PolarHBondContact OG-N 2.88Å; S34-C36 VanDerWaalsContact OG-N 3.17Å
35G90.4Very high91.6Very high73 Ų7369.8 Ų69.875%0.75341%0.405SS*.  trans70.83.8-166.500000113.7C31C31-G35 WeakPolarHBondContact O-CA 3.46Å; C31-G35 PolarHBondContact O-N 3.36Å
36C90.3Very high90.9Very high62 Ų6271 Ų7142%0.41940%0.402SS..  trans-81.8139.4179-63.90000111.6Y30 C31 S34Y30-C36 HydrophobicContact CE1-CB 4.24Å; C31-C36 WeakPolarHBondContact CA-O 3.39Å; C31-C36 WeakPolarHBondContact CB-O 3.36Å; C31-C36 PolarHBondContact SG-O 2.97Å; S34-C36 PolarHBondContact O-N 3.02Å; S34-C36 WeakPolarHBondContact OG-CB 3.47Å; S34-C36 PolarHBondContact OG-N 2.88Å; S34-C36 VanDerWaalsContact OG-N 3.17Å
37D91.7Very high89.6Confident73 Ų7375.9 Ų75.939%0.3941%0.412SS..  trans-75.4130.3169.4-118.521.7000110.2G80 F81 L82D37-G80 WeakPolarHBondContact OD1-CA 3.45Å; D37-G80 VanDerWaalsContact OD2-C 3.29Å; D37-F81 WeakPolarHBondContact OD2-CA 3.4Å; D37-F81 PolarHBondContact OD2-N 3.46Å; D37-L82 HydrophobicContact CB-CB 3.88Å; D37-L82 WeakPolarHBondContact O-CD2 3.39Å; D37-L82 PolarHBondContact OD2-N 3.02Å
38L92.8Very high87.9Confident62 Ų6284.3 Ų84.333%0.32544%0.441SS..  trans-132.2130179.3-178.959000110.3A27 Y30 C31A27-L38 HydrophobicContact CB-CD2 3.75Å; Y30-L38 HydrophobicContact CD1-CD2 4.24Å; C31-L38 VanDerWaalsContact SG-CB 3.54Å
39A93.1Very high85.8Confident28 Ų2886.4 Ų86.423%0.23146%0.455CS..  trans-122.8135.3173.900000110.1V76 W77 L82 A83A39-V76 HydrophobicContact CB-CG1 4.34Å; A39-W77 WeakPolarHBondContact CA-O 3.33Å; A39-L82 HydrophobicContact CB-CD2 4.23Å; A39-L82 HydrophobicContact CB-CG 3.98Å; A39-A83 HydrophobicContact CB-CB 4.03Å
40I93.1Very high83.7Confident35 Ų3590.3 Ų90.318%0.17948%0.476CS..EExtended strand (participates in β ladder)trans-109.3121.3175.3-63.6166.9000108W20 L23 L24 A27 W77W20-I40 HydrophobicContact CH2-CG2 3.69Å; W20-I40 HydrophobicContact CZ2-CG2 4.13Å; L23-I40 HydrophobicContact CG-CD1 4.28Å; L24-I40 HydrophobicContact CD2-CD1 4.27Å; A27-I40 HydrophobicContact CB-CD1 3.89Å; I40-W77 HydrophobicContact CB-CB 4.17Å; I40-W77 PolarHBondContact N-O 2.91Å; I40-W77 PolarHBondContact O-N 3.05Å
41L92.4Very high81Confident75 Ų7588.6 Ų88.639%0.39349%0.488SS..EExtended strand (participates in β ladder)trans-99.2125.5176-176.286.7000109.9Y74 V76 V90 I93L41-Y74 HydrophobicContact CD2-CD1 4.4Å; L41-V76 HydrophobicContact CD1-CG2 3.68Å; L41-V90 HydrophobicContact CD1-CG2 4.23Å; L41-I93 HydrophobicContact CD1-CG2 4.47Å; L41-I93 HydrophobicContact CD2-CG2 3.58Å
42T90.4Very high78.9Confident26 Ų2690 Ų9016%0.1651%0.509CS..EExtended strand (participates in β ladder)trans-110.7124.5171.551.80000110.7W20 Y74 R75 W77W20-T42 HydrophobicContact CH2-CG2 3.23Å; W20-T42 HydrophobicContact CZ2-CG2 3.39Å; W20-T42 HydrophobicContact CZ3-CG2 4.21Å; T42-Y74 CarbonylContact O-C 3.57Å; T42-Y74 WeakPolarHBondContact O-CA 3.15Å; T42-R75 PolarHBondContact N-O 3.38Å; T42-R75 PolarHBondContact O-N 2.92Å; T42-R75 PolarHBondContact OG1-O 2.81Å; T42-W77 PolarHBondContact OG1-NE1 3.25Å; T42-W77 VanDerWaalsContact OG1-NE1 3.15Å
43A90.6Very high76.5Confident45 Ų4593 Ų9337%0.37252%0.523SS..EExtended strand (participates in β ladder)trans-104.899.217400000110.4F72 Y74A43-F72 HydrophobicContact CB-CD1 4.4Å; A43-Y74 HydrophobicContact CB-CD1 3.69Å; A43-Y74 HydrophobicContact CB-CE1 3.5Å
44C84.9Confident74.2Confident67 Ų6788 Ų8845%0.45352%0.522SS..EExtended strand (participates in β ladder)trans-88.1119.8179.5-63.40000110.1K46 F72 S73C44-K46 PolarHBondContact O-N 3.43Å; C44-F72 CarbonylContact O-C 3.55Å; C44-F72 VanDerWaalsContact O-CA 3.32Å; C44-F72 WeakPolarHBondContact O-CA 3.31Å; C44-S73 PolarHBondContact N-O 3.23Å; C44-S73 PolarHBondContact O-N 2.89Å; C44-S73 PolarHBondContact O-OG 3.01Å
45K85.8Confident71.5Confident96 Ų9694.2 Ų94.242%0.41755%0.546SS..EExtended strand (participates in β ladder)trans-71.8112.6175.3-177.5172177.2166.10110.2F47 C70 F72K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 HydrophobicContact CD-CE1 4.35Å; K45-F47 HydrophobicContact CD-CE2 4.26Å; K45-F47 HydrophobicContact CD-CZ 3.95Å; K45-F47 HydrophobicContact CG-CE2 4.25Å; K45-F47 HydrophobicContact CG-CZ 4.4Å; K45-F47 PolarHBondContact O-N 2.85Å; K45-C70 WeakPolarHBondContact CE-SG 3.43Å; K45-C70 PolarHBondContact NZ-SG 3.41Å; K45-F72 HydrophobicContact CB-CD1 3.92Å; K45-F72 HydrophobicContact CB-CE1 3.72Å; K45-F72 HydrophobicContact CD-CE1 4.44Å; K45-F72 HydrophobicContact CG-CE1 4.15Å
46K78.6Confident69.4Low95 Ų9597 Ų9741%0.41355%0.548SS..  trans-73.4111171.4-55.8-174.4-165.9172.80108.9C44 R48 E71C44-K46 PolarHBondContact O-N 3.43Å; K46-R48 PolarHBondContact O-N 3.47Å; K46-E71 WeakPolarHBondContact CA-O 3.34Å; K46-E71 HydrophobicContact CB-CB 4.4Å; K46-E71 VanDerWaalsContact CB-O 3.25Å; K46-E71 WeakPolarHBondContact CB-O 3.36Å; K46-E71 HydrophobicContact CD-CG 4.03Å; K46-E71 WeakPolarHBondContact CD-OE1 3.43Å; K46-E71 WeakPolarHBondContact CE-OE1 3.32Å; K46-E71 PolarHBondContact N-O 2.79Å; K46-E71 IonicContact NZ-OE1 2.66Å; K46-E71 PolarHBondContact NZ-OE1 3.07Å
47F65.6Low67.3Low160 Ų16096.9 Ų96.970%0.70256%0.557SS**  trans-77.499.6164.9-69.2-89.2000108K45 L49K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 HydrophobicContact CD-CE1 4.35Å; K45-F47 HydrophobicContact CD-CE2 4.26Å; K45-F47 HydrophobicContact CD-CZ 3.95Å; K45-F47 HydrophobicContact CG-CE2 4.25Å; K45-F47 HydrophobicContact CG-CZ 4.4Å; K45-F47 PolarHBondContact O-N 2.85Å; F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 2.86Å
48R58.3Low64.9Low193 Ų193103.4 Ų103.473%0.72858%0.582SS**  trans-62.496.2162.2-70.5-169-176.3-167.93107.8K46 T50 E71K46-R48 PolarHBondContact O-N 3.47Å; R48-T50 PolarHBondContact O-N 3.5Å; R48-E71 IonicContact CZ-OE2 2.65Å; R48-E71 IonicContact NE-OE2 2.68Å; R48-E71 PolarHBondContact NE-OE2 3.2Å; R48-E71 IonicContact NH2-OE2 3.18Å; R48-E71 PolarHBondContact NH2-OE2 3.17Å
49L45.3Very low62.3Low160 Ų160108.3 Ų108.384%0.83860%0.6SS**  trans-56.2108.7162.1-71.6170.8000106.3F47 A51F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 2.86Å; L49-A51 PolarHBondContact O-N 2.86Å
50T49.7Very low60.2Low112 Ų112118.6 Ų118.669%0.68763%0.633SS**  trans-73.277.1168.1450000107.4R48 G52R48-T50 PolarHBondContact O-N 3.5Å; T50-G52 PolarHBondContact O-N 3.34Å
51A37.4Very low57.4Low91 Ų91123.6 Ų123.675%0.75266%0.656SS**  trans-58.9121.1163.500000107.3L49L49-A51 PolarHBondContact O-N 2.86Å
52G48.2Very low55.2Low66 Ų66125.9 Ų125.968%0.6868%0.678SS**  trans-78.3163.5168.300000110.4T50T50-G52 PolarHBondContact O-N 3.34Å
53E41.2Very low52.7Low206 Ų206127.4 Ų127.496%0.96370%0.699SS**  trans90115.3-171.7-57.5-166.211800114.4
54G44.9Very low50.4Low75 Ų75131.9 Ų131.977%0.77372%0.722SS**  cis173.5131-10.700000111.9
55E36.2Very low48.2Very low179 Ų179132 Ų13284%0.83674%0.735SS**  trans-165.1156.8159.5-119.3-76.977.200110.4
56V46.4Very low46.1Very low131 Ų131135.2 Ų135.279%0.79475%0.749SS**  trans-84.7122.6-155.81740000114
57G46.6Very low44.6Very low59 Ų59133.9 Ų133.961%0.60875%0.75SS**  trans70.8105.4135.200000119
58K41.8Very low44Very low210 Ų210133.7 Ų133.791%0.91375%0.749SS**  -156.5124.1122.7-105.5146-169.4173.40112.6
59K36.8Very low44.2Very low165 Ų165133.3 Ų133.372%0.71776%0.755SS**  trans40.4102.3153.1-158.2-176.3179.7-158.10117.4E61K59-E61 HydrophobicContact CD-CG 4.07Å; K59-E61 WeakPolarHBondContact CD-OE1 3.34Å; K59-E61 VanDerWaalsContact CE-OE1 3.24Å; K59-E61 WeakPolarHBondContact CE-OE1 3.31Å; K59-E61 HydrophobicContact CG-CG 4.08Å; K59-E61 IonicContact NZ-OE1 2.82Å; K59-E61 PolarHBondContact NZ-OE1 2.87Å; K59-E61 PolarHBondContact O-N 3.42Å
60R50.6Low45Very low245 Ų245128.6 Ų128.693%0.92574%0.735SS**  trans-5692.1160.9-176.3-167.9-164-160.97.1110.9
61E34.2Very low46.5Very low140 Ų140126.2 Ų126.265%0.65472%0.716SS**  trans-89.2110.6166.2-63.5-157.8155.800109.4K59 G63K59-E61 HydrophobicContact CD-CG 4.07Å; K59-E61 WeakPolarHBondContact CD-OE1 3.34Å; K59-E61 VanDerWaalsContact CE-OE1 3.24Å; K59-E61 WeakPolarHBondContact CE-OE1 3.31Å; K59-E61 HydrophobicContact CG-CG 4.08Å; K59-E61 IonicContact NZ-OE1 2.82Å; K59-E61 PolarHBondContact NZ-OE1 2.87Å; K59-E61 PolarHBondContact O-N 3.42Å; E61-G63 PolarHBondContact O-N 3.31Å
62S46.2Very low48.9Very low122 Ų122123.6 Ų123.685%0.85369%0.688SS**  trans-7559.6175.1-177.60000110.7
63G36.8Very low50.9Low58 Ų58122.5 Ų122.560%0.59867%0.669SS**  trans-74151.6164.500000110.4E61 G65E61-G63 PolarHBondContact O-N 3.31Å; G63-G65 PolarHBondContact O-N 2.91Å
64T43.3Very low53.2Low140 Ų140114.7 Ų114.786%0.85963%0.631SS**  trans-64.779.217845.80000111.7F66T64-F66 PolarHBondContact O-N 2.68Å
65G37.9Very low55.4Low70 Ų70115.8 Ų115.872%0.72261%0.612SS**PPolyproline II helixtrans-65.1116.1177.400000110.8G63G63-G65 PolarHBondContact O-N 2.91Å
66F41.9Very low58.1Low163 Ų163108.4 Ų108.472%0.71558%0.579SS**PPolyproline II helixtrans-50.6139.1166.2-68-92000109.1T64 K68T64-F66 PolarHBondContact O-N 2.68Å; F66-K68 PolarHBondContact O-N 3.21Å
67P47.5Very low60.2Low66 Ų66104.8 Ų104.843%0.42955%0.551SS.*SBendtrans-61.3119.9-176.422.5-29.4000109E69 Q105P67-E69 PolarHBondContact O-N 3.23Å; P67-Q105 VanDerWaalsContact CG-NE2 3.34Å
68K53.6Low62.2Low156 Ų156104 Ų10468%0.67854%0.543SS*.  trans-10.3107.8-179.3-71.5-177.5173.7-174.50112.4F66 C70F66-K68 PolarHBondContact O-N 3.21Å; K68-C70 PolarHBondContact O-N 2.82Å; K68-C70 PolarHBondContact O-SG 3Å
69E61.5Low64.3Low186 Ų186100.9 Ų100.987%0.86953%0.532SS*.  trans-42.6111173.8-69.1169.5162.400108.9P67 E71P67-E69 PolarHBondContact O-N 3.23Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.85Å
70C62.9Low66.8Low60 Ų6093.9 Ų93.941%0.40551%0.507SS..  trans-75.892.3-179.3-730000106.6K45 K68 F72K45-C70 WeakPolarHBondContact CE-SG 3.43Å; K45-C70 PolarHBondContact NZ-SG 3.41Å; K68-C70 PolarHBondContact O-N 2.82Å; K68-C70 PolarHBondContact O-SG 3Å; C70-F72 HydrophobicContact CB-CD2 4.34Å; C70-F72 HydrophobicContact CB-CE2 3.68Å; C70-F72 HydrophobicContact CB-CZ 4.05Å; C70-F72 WeakPolarHBondContact O-CD2 3.49Å; C70-F72 VanDerWaalsContact O-CE2 3.32Å; C70-F72 WeakPolarHBondContact O-CE2 3.34Å; C70-F72 PolarHBondContact O-N 3Å; C70-F72 VanDerWaalsContact O-N 3.11Å
71E81.6Confident68.8Low63 Ų6389 Ų8929%0.29449%0.492SS..  trans-64.6111.1176.4-167.4-173.1152.700108.6K46 R48 E69K46-E71 WeakPolarHBondContact CA-O 3.34Å; K46-E71 HydrophobicContact CB-CB 4.4Å; K46-E71 VanDerWaalsContact CB-O 3.25Å; K46-E71 WeakPolarHBondContact CB-O 3.36Å; K46-E71 HydrophobicContact CD-CG 4.03Å; K46-E71 WeakPolarHBondContact CD-OE1 3.43Å; K46-E71 WeakPolarHBondContact CE-OE1 3.32Å; K46-E71 PolarHBondContact N-O 2.79Å; K46-E71 IonicContact NZ-OE1 2.66Å; K46-E71 PolarHBondContact NZ-OE1 3.07Å; R48-E71 IonicContact CZ-OE2 2.65Å; R48-E71 IonicContact NE-OE2 2.68Å; R48-E71 PolarHBondContact NE-OE2 3.2Å; R48-E71 IonicContact NH2-OE2 3.18Å; R48-E71 PolarHBondContact NH2-OE2 3.17Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.85Å
72F87Confident71.7Confident36 Ų3686.2 Ų86.216%0.15848%0.481CS..EExtended strand (participates in β ladder)trans-98.5135.5174.1-66.1-86.5000109.3A43 C44 K45 C70 Y74 H97A43-F72 HydrophobicContact CB-CD1 4.4Å; C44-F72 CarbonylContact O-C 3.55Å; C44-F72 VanDerWaalsContact O-CA 3.32Å; C44-F72 WeakPolarHBondContact O-CA 3.31Å; K45-F72 HydrophobicContact CB-CD1 3.92Å; K45-F72 HydrophobicContact CB-CE1 3.72Å; K45-F72 HydrophobicContact CD-CE1 4.44Å; K45-F72 HydrophobicContact CG-CE1 4.15Å; C70-F72 HydrophobicContact CB-CD2 4.34Å; C70-F72 HydrophobicContact CB-CE2 3.68Å; C70-F72 HydrophobicContact CB-CZ 4.05Å; C70-F72 WeakPolarHBondContact O-CD2 3.49Å; C70-F72 VanDerWaalsContact O-CE2 3.32Å; C70-F72 WeakPolarHBondContact O-CE2 3.34Å; C70-F72 PolarHBondContact O-N 3Å; C70-F72 VanDerWaalsContact O-N 3.11Å; F72-Y74 HydrophobicContact CB-CE1 4.24Å; F72-Y74 HydrophobicContact CB-CE2 3.89Å; F72-Y74 WeakPolarHBondContact CB-OH 3.46Å; F72-H97 AromaticContact CD1-CE1 3.84Å; F72-H97 AromaticContact CD2-CE1 3.85Å; F72-H97 AromaticContact CD2-ND1 3.88Å; F72-H97 AromaticContact CE1-CE1 3.7Å; F72-H97 AromaticContact CE2-CE1 3.73Å; F72-H97 AromaticContact CG-CE1 3.93Å; F72-H97 AromaticContact CZ-CE1 3.65Å
73S89.4Confident73.9Confident42 Ų4280.4 Ų80.429%0.29444%0.441SS..EExtended strand (participates in β ladder)trans-93.2127.8160.3390000109.6C44C44-S73 PolarHBondContact N-O 3.23Å; C44-S73 PolarHBondContact O-N 2.89Å; C44-S73 PolarHBondContact O-OG 3.01Å
74Y90.9Very high76.7Confident42 Ų4281.5 Ų81.517%0.16543%0.43CS..EExtended strand (participates in β ladder)trans-95.3141.8173.8-55.9-84.2000109.9L41 T42 A43 F72 H97L41-Y74 HydrophobicContact CD2-CD1 4.4Å; T42-Y74 CarbonylContact O-C 3.57Å; T42-Y74 WeakPolarHBondContact O-CA 3.15Å; A43-Y74 HydrophobicContact CB-CD1 3.69Å; A43-Y74 HydrophobicContact CB-CE1 3.5Å; F72-Y74 HydrophobicContact CB-CE1 4.24Å; F72-Y74 HydrophobicContact CB-CE2 3.89Å; F72-Y74 WeakPolarHBondContact CB-OH 3.46Å; Y74-H97 HydrophobicContact CE1-CB 4.33Å; Y74-H97 AromaticContact CE1-ND1 3.6Å; Y74-H97 AromaticContact CZ-ND1 3.65Å; Y74-H97 PolarHBondContact OH-ND1 3.3Å
75R89.9Confident79.2Confident99 Ų9975.9 Ų75.937%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-131.7141164.7-65.5-172.4179.7-144.78.2108.9S8 T42S8-R75 PolarHBondContact O-NH1 2.81Å; T42-R75 PolarHBondContact N-O 3.38Å; T42-R75 PolarHBondContact O-N 2.92Å; T42-R75 PolarHBondContact OG1-O 2.81Å
76V92.7Very high81.9Confident23 Ų2373.6 Ų73.614%0.13937%0.371CS..EExtended strand (participates in β ladder)trans-110.5127.1176.7178.40000108.5A39 L41 A83 A86 R87 V90A39-V76 HydrophobicContact CB-CG1 4.34Å; L41-V76 HydrophobicContact CD1-CG2 3.68Å; V76-A83 HydrophobicContact CG1-CB 4.38Å; V76-A86 HydrophobicContact CG1-CB 3.9Å; V76-A86 HydrophobicContact CG2-CB 4.07Å; V76-R87 HydrophobicContact CB-CG 3.7Å; V76-R87 HydrophobicContact CG1-CG 4.01Å; V76-R87 HydrophobicContact CG2-CG 4.07Å; V76-V90 HydrophobicContact CG2-CG2 3.67Å
77W90.4Very high84.4Confident56 Ų5670.7 Ų70.721%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-112153.8178.5-55.788.1000110.3P10 W20 L24 A39 I40 T42P10-W77 HydrophobicContact CB-CZ2 4.33Å; P10-W77 HydrophobicContact CG-CH2 3.2Å; P10-W77 HydrophobicContact CG-CZ2 3.33Å; P10-W77 HydrophobicContact CG-CZ3 4.38Å; W20-W77 AromaticContact CZ2-CD1 3.9Å; W20-W77 HydrophobicContact CZ2-CD2 4.46Å; W20-W77 AromaticContact CZ2-CE2 3.97Å; W20-W77 HydrophobicContact CZ2-CG 4.36Å; W20-W77 HydrophobicContact CZ2-CZ2 4.43Å; W20-W77 AromaticContact CZ2-NE1 3.68Å; W20-W77 AromaticContact NE1-CE2 3.73Å; W20-W77 AromaticContact NE1-CH2 3.71Å; W20-W77 AromaticContact NE1-CZ2 3.42Å; L24-W77 HydrophobicContact CD1-CD2 4.47Å; L24-W77 HydrophobicContact CD1-CE3 3.83Å; L24-W77 HydrophobicContact CD1-CH2 4.34Å; L24-W77 HydrophobicContact CD1-CZ3 3.77Å; L24-W77 HydrophobicContact CD2-CB 3.87Å; L24-W77 HydrophobicContact CD2-CD2 4.2Å; L24-W77 HydrophobicContact CD2-CE3 4.12Å; L24-W77 HydrophobicContact CD2-CG 4.16Å; A39-W77 WeakPolarHBondContact CA-O 3.33Å; I40-W77 HydrophobicContact CB-CB 4.17Å; I40-W77 PolarHBondContact N-O 2.91Å; I40-W77 PolarHBondContact O-N 3.05Å; T42-W77 PolarHBondContact OG1-NE1 3.25Å; T42-W77 VanDerWaalsContact OG1-NE1 3.15Å
78G88.6Confident86.7Confident42 Ų4275 Ų7543%0.43336%0.363SS..  trans101.3168.5-174.200000112.9A83 R87G78-A83 VanDerWaalsContact C-CB 3.5Å; G78-A83 VanDerWaalsContact O-CB 3.27Å; G78-A83 WeakPolarHBondContact O-CB 3.24Å; G78-R87 PolarHBondContact O-NH1 3.09Å
79Q87.1Confident88.7Confident145 Ų14574.2 Ų74.268%0.67836%0.357SS*.  trans-121.2163.8-176.2-175.258-3.100109.6
80G89.4Confident90.3Very high18 Ų1866.9 Ų66.919%0.18633%0.325CS..SBendtrans99.1179.8179.700000114D37 L82 A83 E84D37-G80 WeakPolarHBondContact OD1-CA 3.45Å; D37-G80 VanDerWaalsContact OD2-C 3.29Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.4Å; G80-A83 PolarHBondContact O-N 2.88Å; G80-E84 PolarHBondContact O-N 2.82Å
81F93.1Very high91.7Very high143 Ų14370.1 Ų70.163%0.62734%0.338SS*.Hα-helixtrans-63.4-36.1-174.3-177.4-95.6000113D37 E84 S85D37-F81 WeakPolarHBondContact OD2-CA 3.4Å; D37-F81 PolarHBondContact OD2-N 3.46Å; F81-E84 PolarHBondContact O-N 2.95Å; F81-S85 WeakPolarHBondContact CE1-OG 3.39Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.13Å; F81-S85 PolarHBondContact O-N 3.27Å; F81-S85 PolarHBondContact O-OG 3Å
82L94.6Very high92.4Very high81 Ų8171.6 Ų71.642%0.42435%0.348SS..Hα-helixtrans-65.8-43.7175.8-179.862.5000111D37 A39 G80 S85 A86D37-L82 HydrophobicContact CB-CB 3.88Å; D37-L82 WeakPolarHBondContact O-CD2 3.39Å; D37-L82 PolarHBondContact OD2-N 3.02Å; A39-L82 HydrophobicContact CB-CD2 4.23Å; A39-L82 HydrophobicContact CB-CG 3.98Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.4Å; L82-S85 PolarHBondContact O-N 3.02Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.91Å
83A92.7Very high92.7Very high0 Ų072.2 Ų72.20%035%0.352CS..Hα-helixtrans-68.3-37.6178.300000111.7A39 V76 G78 G80 R87A39-A83 HydrophobicContact CB-CB 4.03Å; V76-A83 HydrophobicContact CG1-CB 4.38Å; G78-A83 VanDerWaalsContact C-CB 3.5Å; G78-A83 VanDerWaalsContact O-CB 3.27Å; G78-A83 WeakPolarHBondContact O-CB 3.24Å; G80-A83 PolarHBondContact O-N 2.88Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.45Å; A83-R87 PolarHBondContact O-N 2.94Å; A83-R87 PolarHBondContact O-NE 2.99Å
84E94.9Very high92.8Very high80 Ų8070.8 Ų70.837%0.37434%0.344SS..Hα-helixtrans-64.4-44.2170.5-75.1-172.8-158.800113.1G80 F81 R87 R88G80-E84 PolarHBondContact O-N 2.82Å; F81-E84 PolarHBondContact O-N 2.95Å; E84-R87 WeakPolarHBondContact O-CB 3.35Å; E84-R87 PolarHBondContact O-N 2.98Å; E84-R87 VanDerWaalsContact O-N 3.15Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.16Å; E84-R88 IonicContact OE2-NH2 2.89Å; E84-R88 PolarHBondContact OE2-NH2 3.45Å
85S95.5Very high92.9Very high23 Ų2373.1 Ų73.116%0.16136%0.362CS..Hα-helixtrans-62.2-45.6178-62.20000110.8F81 L82 R87 R88 Y89F81-S85 WeakPolarHBondContact CE1-OG 3.39Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.13Å; F81-S85 PolarHBondContact O-N 3.27Å; F81-S85 PolarHBondContact O-OG 3Å; L82-S85 PolarHBondContact O-N 3.02Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 3.21Å; S85-R88 PolarHBondContact O-N 2.93Å; S85-R88 VanDerWaalsContact O-N 3.1Å; S85-Y89 WeakPolarHBondContact O-CD2 3.32Å; S85-Y89 PolarHBondContact O-N 3.24Å
86A95.2Very high93Very high21 Ų2174 Ų7417%0.17437%0.374CS..Hα-helixtrans-60.6-35.6174.200000112.5V76 L82 V90V76-A86 HydrophobicContact CG1-CB 3.9Å; V76-A86 HydrophobicContact CG2-CB 4.07Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.91Å; A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 2.95Å
87R94.3Very high92.9Very high102 Ų10275.5 Ų75.539%0.38538%0.379SS..Hα-helixtrans-66.1-37.1172.8-76.8-178.7-76.2-101.97.2112.8V76 G78 A83 E84 S85V76-R87 HydrophobicContact CB-CG 3.7Å; V76-R87 HydrophobicContact CG1-CG 4.01Å; V76-R87 HydrophobicContact CG2-CG 4.07Å; G78-R87 PolarHBondContact O-NH1 3.09Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.45Å; A83-R87 PolarHBondContact O-N 2.94Å; A83-R87 PolarHBondContact O-NE 2.99Å; E84-R87 WeakPolarHBondContact O-CB 3.35Å; E84-R87 PolarHBondContact O-N 2.98Å; E84-R87 VanDerWaalsContact O-N 3.15Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 3.21Å
88R96.2Very high92.9Very high156 Ų15675.2 Ų75.259%0.58939%0.389SS*.Hα-helixtrans-69.8-34.9176.9-65.9172.1-157.8170.88.6112.7E84 S85E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.16Å; E84-R88 IonicContact OE2-NH2 2.89Å; E84-R88 PolarHBondContact OE2-NH2 3.45Å; S85-R88 PolarHBondContact O-N 2.93Å; S85-R88 VanDerWaalsContact O-N 3.1Å
89Y95.8Very high92.9Very high141 Ų14176.5 Ų76.555%0.55339%0.388SS*.THydrogen-bonded Turntrans-99.317.6-178.8-62.6-65.7000114.1S85 D91 D92 I93S85-Y89 WeakPolarHBondContact O-CD2 3.32Å; S85-Y89 PolarHBondContact O-N 3.24Å; Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.41Å; Y89-D92 WeakPolarHBondContact CD1-OD2 3.31Å; Y89-D92 PolarHBondContact O-N 3.09Å; Y89-I93 WeakPolarHBondContact O-CB 3.42Å; Y89-I93 WeakPolarHBondContact O-CD1 3.3Å; Y89-I93 WeakPolarHBondContact O-CG1 3.2Å; Y89-I93 PolarHBondContact O-N 2.87Å
90V94.4Very high93Very high32 Ų3272.9 Ų72.919%0.19438%0.379CS..Hα-helixtrans-60.7-34.2-176.8126.50000112.7L41 V76 A86 G94L41-V90 HydrophobicContact CD1-CG2 4.23Å; V76-V90 HydrophobicContact CG2-CG2 3.67Å; A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 2.95Å; V90-G94 PolarHBondContact O-N 2.94Å
91D92.6Very high92.9Very high128 Ų12876.6 Ų76.668%0.68439%0.392SS*.Hα-helixtrans-72.4-43.3179.8-65.2-37.2000111.6Y89 G94 V95Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.41Å; D91-G94 CarbonylContact O-C 3.54Å; D91-G94 VanDerWaalsContact O-CA 3.31Å; D91-G94 WeakPolarHBondContact O-CA 3.43Å; D91-G94 PolarHBondContact O-N 3.44Å; D91-V95 PolarHBondContact O-N 3.25Å
92D94.9Very high92.4Very high93 Ų9374.2 Ų74.250%0.49739%0.386SS..Hα-helixtrans-62.9-43.4174.4-67.9-36.2000111.6Y89 G94 V95 L96Y89-D92 WeakPolarHBondContact CD1-OD2 3.31Å; Y89-D92 PolarHBondContact O-N 3.09Å; D92-G94 PolarHBondContact O-N 2.8Å; D92-V95 PolarHBondContact O-N 3.46Å; D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 WeakPolarHBondContact O-CG 3.43Å; D92-L96 PolarHBondContact O-N 2.83Å
93I93.6Very high91.8Very high50 Ų5074.7 Ų74.726%0.25639%0.392SS..Hα-helixtrans-56.9-39.7170.7-69.4165.2000110.1L41 Y89 L96 H97L41-I93 HydrophobicContact CD1-CG2 4.47Å; L41-I93 HydrophobicContact CD2-CG2 3.58Å; Y89-I93 WeakPolarHBondContact O-CB 3.42Å; Y89-I93 WeakPolarHBondContact O-CD1 3.3Å; Y89-I93 WeakPolarHBondContact O-CG1 3.2Å; Y89-I93 PolarHBondContact O-N 2.87Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-H97 VanDerWaalsContact O-CB 3.31Å; I93-H97 WeakPolarHBondContact O-CB 3.42Å; I93-H97 PolarHBondContact O-N 2.91Å
94G92.2Very high91.2Very high11 Ų1177.2 Ų77.211%0.11341%0.413CS..Hα-helixtrans-63.2-44.6176.200000113.8V90 D91 D92 A98V90-G94 PolarHBondContact O-N 2.94Å; D91-G94 CarbonylContact O-C 3.54Å; D91-G94 VanDerWaalsContact O-CA 3.31Å; D91-G94 WeakPolarHBondContact O-CA 3.43Å; D91-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact O-N 2.8Å; G94-A98 VanDerWaalsContact O-CB 3.32Å; G94-A98 WeakPolarHBondContact O-CB 3.24Å; G94-A98 PolarHBondContact O-N 2.93Å
95V92.1Very high89.9Confident91 Ų9176.7 Ų76.755%0.55241%0.411SS*.Hα-helixtrans-64.4-44.6174.8174.40000111D91 D92 A98 T99D91-V95 PolarHBondContact O-N 3.25Å; D92-V95 PolarHBondContact O-N 3.46Å; V95-A98 PolarHBondContact O-N 3.04Å; V95-T99 HydrophobicContact CG1-CG2 4.42Å; V95-T99 WeakPolarHBondContact O-CB 3.25Å; V95-T99 WeakPolarHBondContact O-CG2 3.49Å; V95-T99 PolarHBondContact O-N 3.15Å; V95-T99 PolarHBondContact O-OG1 3.18Å
96L92.5Very high88.3Confident118 Ų11881.9 Ų81.962%0.61843%0.43SS*.Hα-helixtrans-63.9-42.3177.8-71.6172.7000112.1D92 I93 T99 S100D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 WeakPolarHBondContact O-CG 3.43Å; D92-L96 PolarHBondContact O-N 2.83Å; I93-L96 PolarHBondContact O-N 3.42Å; L96-T99 WeakPolarHBondContact CA-OG1 3.32Å; L96-T99 PolarHBondContact O-OG1 3.02Å; L96-T99 VanDerWaalsContact O-OG1 3.05Å; L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 2.94Å
97H91.9Very high86.6Confident55 Ų5587.2 Ų87.226%0.25545%0.451SS..Hα-helixtrans-66.7-43.4175.8178.7-133.8000111.9F72 Y74 I93 S100 M101F72-H97 AromaticContact CD1-CE1 3.84Å; F72-H97 AromaticContact CD2-CE1 3.85Å; F72-H97 AromaticContact CD2-ND1 3.88Å; F72-H97 AromaticContact CE1-CE1 3.7Å; F72-H97 AromaticContact CE2-CE1 3.73Å; F72-H97 AromaticContact CG-CE1 3.93Å; F72-H97 AromaticContact CZ-CE1 3.65Å; Y74-H97 HydrophobicContact CE1-CB 4.33Å; Y74-H97 AromaticContact CE1-ND1 3.6Å; Y74-H97 AromaticContact CZ-ND1 3.65Å; Y74-H97 PolarHBondContact OH-ND1 3.3Å; I93-H97 VanDerWaalsContact O-CB 3.31Å; I93-H97 WeakPolarHBondContact O-CB 3.42Å; I93-H97 PolarHBondContact O-N 2.91Å; H97-S100 PolarHBondContact O-N 3.4Å; H97-M101 WeakPolarHBondContact O-CB 3.32Å; H97-M101 VanDerWaalsContact O-CG 3.3Å; H97-M101 WeakPolarHBondContact O-CG 3.36Å; H97-M101 PolarHBondContact O-N 2.84Å
98A88.6Confident84.8Confident50 Ų5089.2 Ų89.241%0.41347%0.467SS..Hα-helixtrans-63.1-43.5177.300000112.6G94 V95 M101 L102G94-A98 VanDerWaalsContact O-CB 3.32Å; G94-A98 WeakPolarHBondContact O-CB 3.24Å; G94-A98 PolarHBondContact O-N 2.93Å; V95-A98 PolarHBondContact O-N 3.04Å; A98-M101 PolarHBondContact O-N 2.88Å; A98-L102 PolarHBondContact O-N 3.04Å
99T89.4Confident82.9Confident69 Ų6990.2 Ų90.242%0.42347%0.47SS..Hα-helixtrans-68.3-39.7176.552.20000112.3V95 L96 L102 T103V95-T99 HydrophobicContact CG1-CG2 4.42Å; V95-T99 WeakPolarHBondContact O-CB 3.25Å; V95-T99 WeakPolarHBondContact O-CG2 3.49Å; V95-T99 PolarHBondContact O-N 3.15Å; V95-T99 PolarHBondContact O-OG1 3.18Å; L96-T99 WeakPolarHBondContact CA-OG1 3.32Å; L96-T99 PolarHBondContact O-OG1 3.02Å; L96-T99 VanDerWaalsContact O-OG1 3.05Å; T99-L102 PolarHBondContact O-N 3.4Å; T99-T103 WeakPolarHBondContact O-CG2 3.45Å; T99-T103 PolarHBondContact O-N 3.45Å; T99-T103 PolarHBondContact O-OG1 3.28Å
100S89Confident80.9Confident68 Ų6889.2 Ų89.248%0.47647%0.471SS..Hα-helixtrans-60.7-42.4172.5-175.20000112.3L96 H97 L102 T103 A104L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 2.94Å; H97-S100 PolarHBondContact O-N 3.4Å; S100-L102 PolarHBondContact O-N 3.04Å; S100-T103 PolarHBondContact O-N 2.97Å; S100-T103 PolarHBondContact O-OG1 3.49Å; S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.9Å
101M86.6Confident78.6Confident96 Ų9691 Ų9147%0.47349%0.485SS..Hα-helixtrans-64.4-38.7174.9-74-63.2-66.500112.3H97 A98 Q105H97-M101 WeakPolarHBondContact O-CB 3.32Å; H97-M101 VanDerWaalsContact O-CG 3.3Å; H97-M101 WeakPolarHBondContact O-CG 3.36Å; H97-M101 PolarHBondContact O-N 2.84Å; A98-M101 PolarHBondContact O-N 2.88Å; M101-Q105 WeakPolarHBondContact O-CB 2.95Å; M101-Q105 PolarHBondContact O-N 3.44Å
102L82.8Confident76.3Confident94 Ų9488.6 Ų88.649%0.49248%0.483SS..Hα-helixtrans-65.8-42.4176.9-17763.3000112.2A98 T99 S100 K106A98-L102 PolarHBondContact O-N 3.04Å; T99-L102 PolarHBondContact O-N 3.4Å; S100-L102 PolarHBondContact O-N 3.04Å; L102-K106 PolarHBondContact O-N 3.31Å
103T82.6Confident73.8Confident91 Ų9187.3 Ų87.356%0.55849%0.491SS*.Hα-helixtrans-71.5-40.4178.857.10000112.2T99 S100 Q105 K106 H107T99-T103 WeakPolarHBondContact O-CG2 3.45Å; T99-T103 PolarHBondContact O-N 3.45Å; T99-T103 PolarHBondContact O-OG1 3.28Å; S100-T103 PolarHBondContact O-N 2.97Å; S100-T103 PolarHBondContact O-OG1 3.49Å; T103-Q105 VanDerWaalsContact C-N 3.34Å; T103-Q105 PolarHBondContact O-N 2.95Å; T103-K106 WeakPolarHBondContact O-CB 3.49Å; T103-K106 PolarHBondContact O-N 2.94Å; T103-H107 PolarHBondContact O-N 3.33Å
104A79.6Confident71.3Confident52 Ų5293.5 Ų93.543%0.4352%0.519SS..Hα-helixtrans-58.7-44.5172.400000111.8S100 K106 H107 M108S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.9Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.79Å; A104-H107 PolarHBondContact O-N 2.82Å; A104-M108 PolarHBondContact O-N 2.68Å; A104-M108 VanDerWaalsContact O-N 3.14Å
105Q69Low68.7Low70 Ų70100.6 Ų100.633%0.32755%0.549SS..Hα-helixtrans-66.8-33.4176.9-164.4-157.9-114.100112.5P67 M101 T103 M108 R109P67-Q105 VanDerWaalsContact CG-NE2 3.34Å; M101-Q105 WeakPolarHBondContact O-CB 2.95Å; M101-Q105 PolarHBondContact O-N 3.44Å; T103-Q105 VanDerWaalsContact C-N 3.34Å; T103-Q105 PolarHBondContact O-N 2.95Å; Q105-M108 PolarHBondContact O-N 3.42Å; Q105-R109 PolarHBondContact O-N 3Å
106K61.8Low66.1Low132 Ų13299.5 Ų99.557%0.57456%0.556SS**Hα-helixtrans-63.1-43.8173.2-175.7-178.1177-176.80111.2L102 T103 A104 M108 R109 Q110L102-K106 PolarHBondContact O-N 3.31Å; T103-K106 WeakPolarHBondContact O-CB 3.49Å; T103-K106 PolarHBondContact O-N 2.94Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.79Å; K106-M108 PolarHBondContact O-N 2.65Å; K106-R109 PolarHBondContact O-N 2.7Å; K106-R109 VanDerWaalsContact O-N 3.16Å; K106-Q110 PolarHBondContact O-N 2.75Å; K106-Q110 VanDerWaalsContact O-N 3.09Å
107H59.7Low63.4Low132 Ų13297.5 Ų97.561%0.61156%0.564SS**Hα-helixtrans-61.2-41.7176.6-171.2-87.8000112.1T103 A104 R109 Q110 S111T103-H107 PolarHBondContact O-N 3.33Å; A104-H107 PolarHBondContact O-N 2.82Å; H107-R109 VanDerWaalsContact C-N 3.3Å; H107-R109 PolarHBondContact O-N 2.77Å; H107-Q110 PolarHBondContact O-N 2.86Å; H107-S111 PolarHBondContact O-N 3.05Å
108M56.4Low60.7Low144 Ų144104.6 Ų104.671%0.70959%0.594SS**Hα-helixtrans-58.8-37.7174-74.2-171.570.800113.2A104 Q105 K106 A112A104-M108 PolarHBondContact O-N 2.68Å; A104-M108 VanDerWaalsContact O-N 3.14Å; Q105-M108 PolarHBondContact O-N 3.42Å; K106-M108 PolarHBondContact O-N 2.65Å; M108-A112 PolarHBondContact O-N 3.32Å
109R55.9Low58.4Low177 Ų177110.6 Ų110.667%0.66862%0.619SS**Hα-helixtrans-74-30.2177.4-69.1-173.7-176.1-102.42.4112.9Q105 K106 H107Q105-R109 PolarHBondContact O-N 3Å; K106-R109 PolarHBondContact O-N 2.7Å; K106-R109 VanDerWaalsContact O-N 3.16Å; H107-R109 VanDerWaalsContact C-N 3.3Å; H107-R109 PolarHBondContact O-N 2.77Å
110Q53.3Low55.6Low121 Ų121114.6 Ų114.657%0.56564%0.637SS**Hα-helixtrans-72.9-43.2174.8-70.7179-35.400111.6K106 H107 A112 G113K106-Q110 PolarHBondContact O-N 2.75Å; K106-Q110 VanDerWaalsContact O-N 3.09Å; H107-Q110 PolarHBondContact O-N 2.86Å; Q110-A112 PolarHBondContact O-N 3.22Å; Q110-A112 VanDerWaalsContact O-N 3.13Å; Q110-G113 PolarHBondContact O-N 3.24Å
111S46.9Very low53.2Low70 Ų70116.5 Ų116.549%0.4965%0.645SS.*Hα-helixtrans-60.1-21.3172.9158.50000114H107H107-S111 PolarHBondContact O-N 3.05Å
112A42.7Very low50.4Low77 Ų77117.6 Ų117.664%0.63665%0.653SS**THydrogen-bonded Turntrans-81.6-16.3175.100000113.8M108 Q110M108-A112 PolarHBondContact O-N 3.32Å; Q110-A112 PolarHBondContact O-N 3.22Å; Q110-A112 VanDerWaalsContact O-N 3.13Å
113G42.9Very low48.3Very low65 Ų65120.2 Ų120.267%0.6767%0.667SS**THydrogen-bonded Turntrans-83.9-21.8-178.600000114.7Q110Q110-G113 PolarHBondContact O-N 3.24Å
114E41.8Very low45.9Very low180 Ų180121.2 Ų121.284%0.84167%0.673SS**SBendtrans-97.20.4-168.4-132.5173.9163.600114.5
115Q37.9Very low43.8Very low160 Ų160124.2 Ų124.275%0.74869%0.691SS**SBendtrans-126.351.7173.6-67.5-175.914.100111.4
116G37.3Very low41.9Very low68 Ų68128.6 Ų128.670%0.70172%0.716SS**  trans-139.1-5.8177.300000115.5K118G116-K118 PolarHBondContact O-N 3.34Å
117G35.8Very low40.5Very low77 Ų77128.6 Ų128.679%0.79473%0.728SS**  trans-91.260.2-176.500000114L119G117-L119 PolarHBondContact O-N 3.47Å
118K35.1Very low39.2Very low203 Ų203125.5 Ų125.588%0.88373%0.732SS**  trans-66.5125.5162.2-96.5-171.2176.6-177.50108G116 L120G116-K118 PolarHBondContact O-N 3.34Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.93Å
119L40.6Very low38.2Very low176 Ų176129.2 Ų129.292%0.92174%0.739SS**  trans-53.994.8167.7-71.6159.6000109.7G117G117-L119 PolarHBondContact O-N 3.47Å
120L31.1Very low37.1Very low153 Ų153132.1 Ų132.180%0.80175%0.75SS**  trans-98.9104.1157.2-168.673000106.5K118 D122K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.93Å; L120-D122 PolarHBondContact O-N 2.92Å
121V36.9Very low36Very low108 Ų108129.9 Ų129.966%0.65576%0.76SS**  trans-66.3102165.4174.20000106.4L123V121-L123 HydrophobicContact CG1-CB 4.2Å; V121-L123 HydrophobicContact CG1-CD1 3.67Å; V121-L123 HydrophobicContact CG1-CG 3.7Å; V121-L123 PolarHBondContact O-N 2.81Å
122D27.9Very low35.4Very low120 Ų120131.5 Ų131.564%0.64277%0.771SS**  trans-77.979.8171.8-154.6-20.6000109L120 T124L120-D122 PolarHBondContact O-N 2.92Å; D122-T124 PolarHBondContact O-N 3.11Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 3.25Å
123L38.7Very low35Very low148 Ų148138 Ų13878%0.77579%0.785SS**  trans-79.868169.3-100.8162.8000108.9V121V121-L123 HydrophobicContact CG1-CB 4.2Å; V121-L123 HydrophobicContact CG1-CD1 3.67Å; V121-L123 HydrophobicContact CG1-CG 3.7Å; V121-L123 PolarHBondContact O-N 2.81Å
124T32.7Very low34.9Very low113 Ų113141.6 Ų141.669%0.69379%0.794SS**  trans-119.9117.8161.152.80000109.6D122D122-T124 PolarHBondContact O-N 3.11Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 3.25Å
125S35.2Very low34.4Very low115 Ų115136.9 Ų136.980%0.80479%0.794SS**  trans-73134.4-168.7-46.60000112.4
126D29.7Very low34.2Very low161 Ų161137.4 Ų137.486%0.86180%0.802SS**  trans-134.6154.1143.4-153.6-1.9000111.3
127T32.8Very low34Very low133 Ų133136.7 Ų136.782%0.81680%0.795SS**  trans-113.6112.9-151.6-56.70000111
128G30.8Very low33.9Very low67 Ų67139.5 Ų139.569%0.69180%0.796SS**  trans-174.5113.6175.400000117.2
129Y35.7Very low34.5Very low222 Ų222136.9 Ų136.987%0.87180%0.797SS**  trans64.481.5152.9-83.4-94.2000120.9
130R32.3Very low34.1Very low238 Ų238131.9 Ų131.990%0.89879%0.788SS**  44.5110.3113.2-175.1-167-72.7-113.42.1118
131G31.4Very low34.3Very low74 Ų74128.3 Ų128.376%0.76379%0.788SS**  trans175.762163.200000115.8
132S33.9Very low34.3Very low104 Ų104130.1 Ų130.173%0.72780%0.799SS**  trans-83.3131.8178.5-165.50000112.1
133F35.1Very low35Very low212 Ų212129.7 Ų129.793%0.9381%0.806SS**  trans-148.5127.3150.2-64.5-66.4000111.2
134T39.2Very low35.3Very low141 Ų141127.7 Ų127.787%0.86580%0.801SS**  trans-86.1141.816948.40000110.5
135G31.4Very low35.6Very low82 Ų82127.5 Ų127.585%0.84580%0.796SS**  trans-162.8132.3175.300000112.9
136D34.1Very low36.2Very low170 Ų170128 Ų12891%0.90979%0.79SS**  trans-92.2157.8-176.3-179.728.4000112.2
137G34.2Very low37.3Very low53 Ų53129.9 Ų129.955%0.54679%0.785SS.*  trans90.4126.6153.100000120.2
138V34Very low37.9Very low137 Ų137130.6 Ų130.683%0.8378%0.783SS**  trans79.9108.9143.5-174.10000119.7
139V45.9Very low38.7Very low147 Ų147135.6 Ų135.689%0.89179%0.786SS**  trans39.6101.7141.6-170.20000118.2
140G33.2Very low39.4Very low72 Ų72129.6 Ų129.674%0.74278%0.777SS**  trans-148126.4161.800000110.5
141G34.8Very low40.2Very low78 Ų78126.8 Ų126.880%0.80477%0.774SS**  trans-67136.5-175.900000112.7S143G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.4Å
142V37.2Very low41.2Very low146 Ų146128 Ų12889%0.88577%0.77SS**  trans-70.485.5169.8-73.70000110P144V142-P144 VanDerWaalsContact O-CD 3.31Å; V142-P144 WeakPolarHBondContact O-CD 3.29Å
143S43Very low42.2Very low110 Ų110132.7 Ų132.777%0.76977%0.773SS**  trans-58.1115.6167.3-1750000108.5G141 N145G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.4Å; S143-N145 PolarHBondContact O-N 3.16Å
144P44.1Very low42.8Very low106 Ų106128 Ų12869%0.68877%0.765SS**  trans-62.9140178.626.5-32.9000109.2V142 N146V142-P144 VanDerWaalsContact O-CD 3.31Å; V142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-N146 PolarHBondContact O-N 3.46Å
145N40.3Very low43.4Very low110 Ų110125.7 Ų125.759%0.58875%0.754SS**  trans-69.194.1-168.6-163-14.9000110.9S143 R147 L148S143-N145 PolarHBondContact O-N 3.16Å; N145-R147 PolarHBondContact O-N 3.44Å; N145-R147 WeakPolarHBondContact OD1-CG 3.45Å; N145-L148 PolarHBondContact O-N 3.45Å
146N46.4Very low44.7Very low126 Ų126128.8 Ų128.867%0.67475%0.75SS**G310 helixtrans-59.3-6-175.5-113.28.4000114.7P144 L148 F149P144-N146 PolarHBondContact O-N 3.46Å; N146-L148 PolarHBondContact O-N 3.09Å; N146-F149 PolarHBondContact O-N 3.26Å
147R52.9Low45.4Very low200 Ų200130.4 Ų130.476%0.75575%0.745SS**G310 helixtrans-66.3-16.6177.3-63.3-177-177.1-161.41114.3N145N145-R147 PolarHBondContact O-N 3.44Å; N145-R147 WeakPolarHBondContact OD1-CG 3.45Å
148L45.9Very low45.9Very low148 Ų148132.4 Ų132.478%0.77575%0.75SS**G310 helixtrans-76.9-18.2-179.6-69.4171.6000114.4N145 N146N145-L148 PolarHBondContact O-N 3.45Å; N146-L148 PolarHBondContact O-N 3.09Å
149F48.4Very low46.5Very low172 Ų172131.8 Ų131.875%0.75475%0.749SS**THydrogen-bonded Turntrans-107.9-16.5-179.2-71.1-80000114.1N146 Q151N146-F149 PolarHBondContact O-N 3.26Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 2.93Å
150S49Very low46.4Very low96 Ų96132.9 Ų132.967%0.67175%0.75SS**THydrogen-bonded Turntrans-81.15.9-175.7-62.20000116.1
151Q50.7Low46.6Very low179 Ų179132.3 Ų132.384%0.83674%0.744SS**THydrogen-bonded Turntrans-102-1.6-178.3-67.1-166.7-10.600114.6F149F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 2.93Å
152S50.9Low46.8Very low98 Ų98133.5 Ų133.569%0.68574%0.74SS**SBendtrans-102.80.9-174.4-54.20000115.1
153Y55.9Low46.6Very low203 Ų203131.6 Ų131.680%0.79673%0.733SS**SBendtrans-139.8142.3176.9-75.2-82.9000111.3S155Y153-S155 PolarHBondContact O-N 3.48Å
154P47.9Very low46.2Very low115 Ų115135 Ų13575%0.74774%0.736SS**  trans-61.9126.8168.3-18.131.3000110.1I156P154-I156 PolarHBondContact O-N 2.9Å; P154-I156 VanDerWaalsContact O-N 3.13Å
155S50.7Low45.6Very low92 Ų92138.2 Ų138.264%0.64374%0.742SS**  trans-70.5110.2177.2-174.60000110.5Y153 Y157Y153-S155 PolarHBondContact O-N 3.48Å; S155-Y157 VanDerWaalsContact C-N 3.32Å
156I58.7Low45.1Very low147 Ų147136.5 Ų136.575%0.75475%0.751SS**SBendtrans-86.1-0.9173.449.8173.1000113.3P154P154-I156 PolarHBondContact O-N 2.9Å; P154-I156 VanDerWaalsContact O-N 3.13Å
157Y49.4Very low44.2Very low204 Ų204134.7 Ų134.780%0.876%0.762SS**  trans-11960.6176.9-66.2-76.9000111.5S155S155-Y157 VanDerWaalsContact C-N 3.32Å
158S44Very low43.1Very low95 Ų95128.5 Ų128.566%0.66476%0.761SS**  trans-100.8112.8155.6-66.10000107.2D160S158-D160 PolarHBondContact O-N 2.83Å
159P46.7Very low42.6Very low124 Ų124130.1 Ų130.181%0.80576%0.764SS**  trans-69.7120.5175.328.3-31.8000109.2
160D44.9Very low41.7Very low170 Ų170129.5 Ų129.591%0.90977%0.769SS**  trans-64.8137.3164-165.83.2000108.9S158S158-D160 PolarHBondContact O-N 2.83Å
161G36.6Very low40.9Very low60 Ų60128.6 Ų128.662%0.61978%0.775SS**  trans-171.934-15300000117
162S38.6Very low39.9Very low103 Ų103126.6 Ų126.672%0.7277%0.77SS**  trans39.6122.9148.361.90000121.3
163S33.7Very low39.1Very low105 Ų105131.3 Ų131.373%0.73478%0.781SS**  155.6125.4106-68.70000114.6
164Q34.6Very low38.1Very low181 Ų181129.6 Ų129.685%0.84678%0.78SS**  trans54149.5152.7-71.9-177.7-18.700120.2
165Q32.2Very low37.6Very low174 Ų174133.7 Ų133.781%0.81378%0.781SS**  cis-173.6146.6-14.6167.4173.4-38.100107.2
166G29.7Very low36.7Very low75 Ų75135.6 Ų135.677%0.77378%0.78SS**  cis161137.4-800000112.1
167G26.5Very low35.6Very low88 Ų88140 Ų14091%0.90779%0.787SS**  trans153.2135.1-17800000111.4
168G29.2Very low34.5Very low70 Ų70136 Ų13672%0.72279%0.789SS**  cis-178.1151-800000113.9
169Q36.7Very low34Very low182 Ų182136.2 Ų136.285%0.8580%0.797SS**  trans73.5143156.8-64.2-173.6-27.200122.5
170N29.8Very low33.2Very low158 Ų158135.7 Ų135.785%0.84579%0.791SS**  trans73132.1163.4-57.3-18.8000118.1
171G30.7Very low32.7Very low78 Ų78136 Ų13680%0.80479%0.787SS**  cis-161.9146.4-0.700000113.3
172N30.7Very low32.4Very low137 Ų137138.8 Ų138.873%0.73379%0.792SS**  trans-63.4132.5-172.6178.614.5000115.1E174N172-E174 PolarHBondContact OD1-N 3.37Å
173Q33.8Very low32Very low196 Ų196141 Ų14192%0.91679%0.791SS**  trans-156.5103.9136.2-129.717413.800112.7
174E35.4Very low31.8Very low168 Ų168146.7 Ų146.779%0.78580%0.796SS**  trans-80.9158.6162.9-56.9177.9140.500110.7N172N172-E174 PolarHBondContact OD1-N 3.37Å
175R38.1Very low31.5Very low201 Ų201141.8 Ų141.876%0.75879%0.794SS**  143.2135.7116.4-170.3164.7178.5147.911.1116.5
176E30.2Very low31.9Very low132 Ų132145.7 Ų145.762%0.61780%0.801SS**  trans61.8119.2161-75.9154.5179.500118.8
177R35.7Very low32Very low238 Ų238151.5 Ų151.590%0.89881%0.808SS**  67.9108.663.1-75.1-172.5172.2-175-1.2114.8
178S27.8Very low32.3Very low121 Ų121159.1 Ų159.185%0.84681%0.809SS**  -172135.3128.653.40000111.3
179A32.3Very low32.6Very low100 Ų100160.4 Ų160.483%0.82681%0.814SS**  trans-122.3136.2167.200000108.7
180T30.6Very low32.2Very low113 Ų113155.6 Ų155.669%0.69381%0.812SS**  trans-167.3117.2169.6240000105.4
181E33.3Very low32.4Very low176 Ų176155.6 Ų155.682%0.82281%0.811SS**  70.4145.497.6-75.9-169.4132.700113.8
182V31.6Very low32.8Very low119 Ų119158.6 Ų158.672%0.72181%0.814SS**  cis176151.5-20.9124.40000104.1
183E29.3Very low32.8Very low149 Ų149158.4 Ų158.470%0.69681%0.812SS**  trans74.2134.5163.5-128.9-169.9109.900122.6
184R30.1Very low33Very low225 Ų225155.2 Ų155.285%0.84980%0.801SS**  110.7116.4127.4-151.1175.7-170.6107.1-10.2117.3
185G29Very low32.9Very low77 Ų77154.3 Ų154.379%0.79480%0.797SS**  trans168.544.4174.500000117.4
186R39.1Very low33Very low256 Ų256152 Ų15297%0.96680%0.795SS**  trans-84.7121.3172.1-152-171.5-162.5-153.87.3109.1
187Q31.6Very low33.1Very low197 Ų197153.5 Ų153.592%0.92180%0.801SS**  trans-136.9143168.4-70-168.7-0.400111.5
188R34Very low32.8Very low248 Ų248145.2 Ų145.294%0.93679%0.79SS**  trans-143.9150.8-178.3-178.4-169177.9-163.70.3108
189A34.7Very low33.1Very low98 Ų98147.8 Ų147.881%0.8179%0.789SS**  trans88.3139.3160.900000118.2
190G27.6Very low33.2Very low80 Ų80152.5 Ų152.583%0.82579%0.794SS**  trans173.5109.8174.200000107.2
191I34.4Very low33.5Very low158 Ų158151.2 Ų151.281%0.8179%0.794SS**  trans-122.3142.1-175.3-45.1165000106.5
192V38.8Very low33.6Very low142 Ų142150.8 Ų150.886%0.86179%0.792SS**  trans-136141.1164.9-179.30000108.4
193D31.5Very low33.7Very low133 Ų133152.3 Ų152.371%0.71179%0.792SS**  trans-112-162.4-168.6-150.3-16.5000110.6
194L37.1Very low34Very low129 Ų129152.9 Ų152.968%0.67579%0.794SS**  trans94.5107.9179.2-64.9121.5000114.1
195E33.3Very low34.1Very low148 Ų148149.7 Ų149.769%0.69279%0.789SS**  80.4141.269.4-68.5159.4-139.500110.7
196E40.6Very low34.3Very low154 Ų154154.2 Ų154.272%0.7279%0.789SS**  cis-162.3165.221-153.2169.6-165.900111.3
197E33.7Very low34.1Very low162 Ų162149.6 Ų149.676%0.75778%0.784SS**  trans20159.3155.1-71.6172172.700124.5
198G28.5Very low34.4Very low64 Ų64148 Ų14866%0.6678%0.779SS**  cis-160.7149.52.100000110.1
199E33.7Very low34.7Very low176 Ų176143.3 Ų143.382%0.82277%0.772SS**  79.6109.477.8-71.4-160.8-178.900115.3
200E34.9Very low34.9Very low199 Ų199145.1 Ų145.193%0.9376%0.764SS**  -136.3116.5129.4-77.8-166.4169.900107
201A36.6Very low35.4Very low85 Ų85151.3 Ų151.370%0.70276%0.762SS**  trans-80161.7163.700000109
202E35.1Very low35.8Very low167 Ų167155.5 Ų155.578%0.7877%0.768SS**  170.2157.490-82.8167.7-170.600103.3
203E35Very low36.5Very low152 Ų152154.1 Ų154.171%0.7176%0.762SS**  cis-166.5167.5-3.5-109.2167.9-172.700103.6
204E34.3Very low37Very low160 Ų160159.2 Ų159.275%0.74877%0.773SS**  cis-167144.636.9-121.9163.5179.700106
205E33Very low37.5Very low159 Ų159156 Ų15674%0.74377%0.771SS**  trans48.1143.5136.8-50.2-54.2164.900121.7
206E32.7Very low37.7Very low171 Ų171157 Ų15780%0.79978%0.781SS**  cis-152.8143.52-98.1147.6-155.100104.6
207D36.1Very low38Very low160 Ų160159.3 Ų159.386%0.85679%0.791SS**  -170155.186.4-168.610.1000110
208M35.9Very low38.8Very low164 Ų164157.1 Ų157.181%0.80879%0.794SS**  trans-94.8132.8-165.9-60.9-123.7-170.800113.7
209D41.9Very low39.8Very low149 Ų149159 Ų15980%0.79780%0.803SS**  178.9110.1106.6-101.6-25.6000113.3
210E39Very low40.7Very low136 Ų136154 Ų15464%0.63680%0.8SS**  52.199.5122.7-156.653.4-148.300119.8
211R38Very low41.8Very low209 Ų209150.2 Ų150.279%0.78979%0.79SS**  99.972.1126.2-152.1179.4-164104.1-3.9122.1
212R43Very low42.3Very low247 Ų247156.4 Ų156.493%0.93280%0.801SS**  62.9160.3127.2-79.3-164.8-174.5-155.93.4120.9
213P53.1Low43.3Very low113 Ų113153.2 Ų153.273%0.73480%0.797SS**  trans-99.4176.1-155.539.4-37.3000115.8
214Y42.3Very low44.3Very low240 Ų240153.6 Ų153.694%0.94180%0.801SS**  trans90.4109.9-180-87.5-92.7000117.7
215G46Very low45.3Very low61 Ų61152.2 Ų152.263%0.62980%0.799SS**  trans108.5142.9151.400000116.6
216N39.1Very low46.6Very low169 Ų169152.4 Ų152.490%0.90480%0.8SS**  trans84.675.7158.9-38.8-31.3000117.6S218N216-S218 PolarHBondContact O-N 2.94Å
217E46.9Very low47.8Very low202 Ų202151 Ų15194%0.94480%0.798SS**  trans-86.396.5156.663.9-172.2152.300110.7
218S50.3Low48.9Very low117 Ų117148.1 Ų148.182%0.81879%0.79SS**  trans-158.896.6165.4-159.40000110.9N216N216-S218 PolarHBondContact O-N 2.94Å
219A48.8Very low49.7Very low102 Ų102147.9 Ų147.984%0.84379%0.79SS**  trans178.4100.9147.800000112.5
220G52.7Low50.3Low73 Ų73145.9 Ų145.975%0.75379%0.788SS**  trans96.9156.4141.600000119.2
221V57.3Low51.2Low119 Ų119149.3 Ų149.372%0.72180%0.795SS**SBendcis-145.896.7-15.2-176.60000108.9
222F48.8Very low52.1Low214 Ų214146.2 Ų146.294%0.93979%0.794SS**  trans-134.3103.2142.3-74-71.3000106M224F222-M224 PolarHBondContact O-N 3.18Å
223S55.7Low52.2Low100 Ų100140.6 Ų140.670%0.69979%0.792SS**  trans-60.2127.9176.4-490000108.5D225S223-D225 PolarHBondContact O-N 2.99Å
224M56.4Low52.4Low161 Ų161141.6 Ų141.679%0.79379%0.787SS**  trans-80.7101.8165.9-169.4149.770.600107.2F222 E226F222-M224 PolarHBondContact O-N 3.18Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 HydrophobicContact CG-CG 4.43Å; M224-E226 PolarHBondContact O-N 3.13Å
225D53.8Low53.3Low131 Ų131136.1 Ų136.170%0.70178%0.78SS**  trans-68.789.817142.1-59000109.9S223 D227S223-D225 PolarHBondContact O-N 2.99Å; D225-D227 PolarHBondContact O-N 3.19Å
226E60.3Low53.9Low163 Ų163142 Ų14276%0.76279%0.789SS**  trans-68.128.3176.8-71-166.181.800114.2M224M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 HydrophobicContact CG-CG 4.43Å; M224-E226 PolarHBondContact O-N 3.13Å
227D58.8Low54.1Low141 Ų141140.3 Ų140.375%0.75477%0.774SS**  trans-130.436-169.5-80.4-49.2000113.7D225D225-D227 PolarHBondContact O-N 3.19Å
228S57.8Low54.1Low100 Ų100138.9 Ų138.970%0.69977%0.767SS**SBendtrans-156.855.7171.3-85.20000117.5
229I53.1Low54.3Low158 Ų158139.6 Ų139.681%0.8177%0.772SS**SBendtrans-152.327.8130.4-137.571.5000113.7R231I229-R231 PolarHBondContact O-N 2.94Å
230S55.7Low54.4Low108 Ų108142.1 Ų142.176%0.75577%0.771SS**  trans-74.743.3177.1-53.20000113.6
231R56.5Low54.6Low208 Ų208141.1 Ų141.179%0.78576%0.761SS**SBendtrans-148137168.1-68-160.3171.5-177.5-3.6110.7I229I229-R231 PolarHBondContact O-N 2.94Å
232D57.1Low54.5Low143 Ų143144 Ų14477%0.76577%0.767SS**SBendtrans79.933.2159.7-41.8-25000118.8
233C45.9Very low54.7Low130 Ų130142.9 Ų142.988%0.87876%0.764SS**  trans-126.965.2153.7-81.10000109.9
234E57.2Low54.4Low134 Ų134146.9 Ų146.963%0.62677%0.772SS**  trans-67.9131.1179-67-171.1117.200111.2F236 F237E234-F236 PolarHBondContact O-N 3.34Å; E234-F237 HydrophobicContact CB-CD2 4.04Å; E234-F237 HydrophobicContact CG-CD2 4.4Å; E234-F237 WeakPolarHBondContact OE1-CE2 3.4Å; E234-F237 WeakPolarHBondContact OE2-CD2 3.45Å; E234-F237 WeakPolarHBondContact OE2-CE2 3.34Å
235P61.2Low54Low124 Ų124144.7 Ų144.781%0.80577%0.773SS**SBendtrans-76.7-8.2-174.830.1-35.6000114.1
236F57.9Low53.8Low184 Ų184144.5 Ų144.581%0.80778%0.776SS**  trans-156.491.7179.8-91.2-83.6000111E234E234-F236 PolarHBondContact O-N 3.34Å
237F44.7Very low53.4Low135 Ų135143.2 Ų143.259%0.59278%0.775SS**  trans-134.5123147-82.5-79.5000111.1E234E234-F237 HydrophobicContact CB-CD2 4.04Å; E234-F237 HydrophobicContact CG-CD2 4.4Å; E234-F237 WeakPolarHBondContact OE1-CE2 3.4Å; E234-F237 WeakPolarHBondContact OE2-CD2 3.45Å; E234-F237 WeakPolarHBondContact OE2-CE2 3.34Å
238E47.1Very low52.8Low171 Ų171139.6 Ų139.680%0.79977%0.77SS**  trans64.6110.2140.7-66.4168.2171.400118.6D240E238-D240 PolarHBondContact O-N 3.34Å
239S52.9Low53Low132 Ų132139.9 Ų139.992%0.92377%0.773SS**  trans-49.1121.5146.2-57.80000110.8
240D51.4Low52.3Low156 Ų156140.1 Ų140.183%0.83478%0.775SS**  trans-122.7144.9143.9-163.69.4000107.4E238E238-D240 PolarHBondContact O-N 3.34Å
241G56.2Low51.9Low52 Ų52140 Ų14054%0.53677%0.774SS.*  trans-66.2178.2-163.300000115.2
242E55.6Low51.6Low179 Ų179139 Ų13984%0.83678%0.778SS**  cis-155.3116.117.4-60.5-83.2133.800107.9
243E53.9Low51Low191 Ų191140 Ų14089%0.89378%0.784SS**  trans-158.490.5155.737-160.4164.400113S245E243-S245 PolarHBondContact O-N 3.14Å
244E49.7Very low51.4Low183 Ų183137.6 Ų137.686%0.85577%0.772SS**  trans-33.495.1169.9-173.8162.4-159.100115T246E244-T246 PolarHBondContact O-N 3.17Å
245S47.8Very low51.1Low116 Ų116136.8 Ų136.881%0.81178%0.779SS**  trans-72.2101.8158.1-71.30000108.6E243 D247E243-S245 PolarHBondContact O-N 3.14Å; S245-D247 PolarHBondContact O-N 3.04Å
246T49.2Very low50.7Low127 Ų127136.7 Ų136.778%0.77978%0.778SS**  trans-72.375.7175.7-166.90000111.5E244 G248E244-T246 PolarHBondContact O-N 3.17Å; T246-G248 PolarHBondContact O-N 3.09Å
247D51.2Low50.3Low136 Ų136133 Ų13373%0.72777%0.773SS**  trans-72.9104.8152.1168.87.2000107.5S245 S249S245-D247 PolarHBondContact O-N 3.04Å; D247-S249 PolarHBondContact OD1-N 2.98Å
248G47Very low50.5Low64 Ų64132.8 Ų132.866%0.6679%0.785SS**  trans-118.439.6177.700000112.3T246 L250T246-G248 PolarHBondContact O-N 3.09Å; G248-L250 VanDerWaalsContact C-N 3.31Å; G248-L250 PolarHBondContact O-N 3.43Å; G248-L250 VanDerWaalsContact O-N 3.1Å
249S61.2Low50.5Low107 Ų107136.6 Ų136.675%0.74879%0.792SS**  trans-84.866.1179.3-63.90000112.9D247D247-S249 PolarHBondContact OD1-N 2.98Å
250L38.9Very low49.8Very low163 Ų163133.9 Ų133.985%0.85379%0.785SS**  trans-130.7123.9160.3-76.8-179.5000112.7G248G248-L250 VanDerWaalsContact C-N 3.31Å; G248-L250 PolarHBondContact O-N 3.43Å; G248-L250 VanDerWaalsContact O-N 3.1Å
251S47.9Very low49.5Very low105 Ų105134.6 Ų134.673%0.73479%0.788SS**  trans-55.2170.7155.548.10000112.8
252E50.2Low48.7Very low188 Ų188136.2 Ų136.288%0.87980%0.796SS**  trans85.784.4158.6-158.8168.397.400116.8
253D43.8Very low47.9Very low164 Ų164134.6 Ų134.688%0.87780%0.798SS**  trans-131.2104.1137.5-172.268.1000109.8
254A53.6Low47.2Very low78 Ų78128.6 Ų128.665%0.64579%0.787SS**  trans-153.1124.1163.100000107.5
255P52.7Low46.7Very low117 Ų117128.9 Ų128.976%0.7679%0.789SS**PPolyproline II helixtrans-66.2146-172.423.9-33.2000112.8
256P51.7Low46Very low123 Ų123132.2 Ų132.280%0.79979%0.791SS**PPolyproline II helixtrans-70162.1-169.826.2-34.9000115
257P50.1Low45.4Very low107 Ų107130.2 Ų130.270%0.69579%0.787SS**PPolyproline II helixtrans-100.9160.2-150.338-37.9000115.8
258P48.6Very low44.7Very low129 Ų129134 Ų13484%0.83880%0.798SS**PPolyproline II helixtrans-70.9130.6152.131.6-30.7000109.9
259R46.9Very low44.2Very low252 Ų252136.3 Ų136.395%0.95180%0.804SS**PPolyproline II helixtrans-66136.8-168.8-62.1168.2176159.5-2.6113.3
260G39.3Very low43.5Very low75 Ų75136.2 Ų136.277%0.77380%0.803SS**  trans-171.870.5176.800000116.6
261L44.5Very low43.5Very low170 Ų170139 Ų13989%0.8980%0.802SS**  trans23.2110.1156.2-66.1166.4000121.4
262A38.5Very low43.1Very low87 Ų87141.5 Ų141.572%0.71980%0.802SS**  75.2150.6121.200000123.4
263V39.3Very low42.6Very low144 Ų144137.4 Ų137.487%0.87380%0.801SS**  trans77.6103.1161-163.70000119
264G38.3Very low42.7Very low65 Ų65137.5 Ų137.567%0.6780%0.795SS**  76.2149.211900000121.3
265Q39.8Very low42.5Very low189 Ų189139.8 Ų139.888%0.88380%0.804SS**  trans72.9121.5169.7-49.8-174.6-88.300117.8
266H33.6Very low42.7Very low187 Ų187139.6 Ų139.687%0.86680%0.8SS**  trans-121.6107.6145.1-88.3-78.6000109.6
267A36.2Very low43.1Very low84 Ų84138.9 Ų138.969%0.69481%0.805SS**  trans-75.9133164.800000109.1S269A267-S269 PolarHBondContact O-N 2.89Å
268F36.4Very low43.8Very low216 Ų216140.4 Ų140.495%0.94781%0.806SS**  trans-72.698.5177-68.5-82.8000110.9
269S36.8Very low44.3Very low112 Ų112139.4 Ų139.478%0.78381%0.809SS**  trans-97.3104.4164.6-92.60000110.7A267A267-S269 PolarHBondContact O-N 2.89Å
270S46.6Very low45.3Very low106 Ų106138.7 Ų138.774%0.74181%0.806SS**  trans3.6126.4150.5-176.80000117.9
271R38Very low46.7Very low221 Ų221140.6 Ų140.683%0.83481%0.808SS**  trans-160.3130.8134.6-112.8169.3-87.1-117.45.7112.6
272H40.2Very low48.2Very low158 Ų158139.7 Ų139.773%0.73180%0.803SS**  trans46.992.3165.4-66-72.8000119.6
273A41Very low49.5Very low102 Ų102141.5 Ų141.584%0.84381%0.808SS**  trans-76.2118.8152.600000109.9
274H44.2Very low51Low166 Ų166140.9 Ų140.977%0.76980%0.804SS**  trans-75.5130.6165.5-62.8-86.6000108.8T276H274-T276 PolarHBondContact O-N 2.9Å; H274-T276 VanDerWaalsContact O-N 3.12Å
275P49.3Very low52.5Low126 Ų126143.4 Ų143.482%0.81881%0.811SS**  trans-69.8111.4173.228.3-31.8000108.6A277P275-A277 PolarHBondContact O-N 3.1Å
276T57.9Low54.2Low112 Ų112139.8 Ų139.869%0.68780%0.802SS**  trans-58.6120.7172.739.40000109.4H274 L278H274-T276 PolarHBondContact O-N 2.9Å; H274-T276 VanDerWaalsContact O-N 3.12Å; T276-L278 PolarHBondContact O-N 2.9Å
277A59.3Low55.6Low108 Ų108135.4 Ų135.489%0.89379%0.79SS**  trans-73.175.1178.400000110.4P275 A279P275-A277 PolarHBondContact O-N 3.1Å; A277-A279 PolarHBondContact O-N 3.02Å
278L64.4Low57.4Low140 Ų140137.9 Ų137.973%0.73380%0.796SS**PPolyproline II helixtrans-72123.7175.7-64.6174.3000109.6T276 R280T276-L278 PolarHBondContact O-N 2.9Å; L278-R280 PolarHBondContact O-N 2.86Å
279A60.9Low59Low107 Ų107138.7 Ų138.788%0.88479%0.793SS**PPolyproline II helixtrans-59.7122.9176.500000110.4A277A277-A279 PolarHBondContact O-N 3.02Å
280R67.1Low60.3Low237 Ų237136.1 Ų136.189%0.89478%0.784SS**PPolyproline II helixtrans-95.3116.6176.9-53.2-174.787.3172.16.5108.1L278L278-R280 PolarHBondContact O-N 2.86Å
281S68.9Low60.3Low116 Ų116137.3 Ų137.381%0.81179%0.791SS**PPolyproline II helixtrans-65.7138.517747.20000111.2
282L75.6Confident61.4Low150 Ų150136.1 Ų136.179%0.78579%0.792SS**PPolyproline II helixtrans-75.4148.8168.8-64.9176.1000109.8V284L282-V284 PolarHBondContact O-N 3.17Å
283P66.3Low61.6Low126 Ų126133.9 Ų133.982%0.81879%0.794SS**PPolyproline II helixtrans-65.8120.8176.626.9-33.6000110.6
284V69.9Low61.7Low131 Ų131134.4 Ų134.479%0.79479%0.791SS**  trans-92.8113.2175.7178.90000109L282L282-V284 PolarHBondContact O-N 3.17Å
285S70.6Confident61.9Low117 Ų117136.2 Ų136.282%0.81879%0.791SS**PPolyproline II helixtrans-88.8117.8169.647.80000110.3
286V75.4Confident61.5Low114 Ų114134.6 Ų134.669%0.69179%0.789SS**PPolyproline II helixtrans-85.9140170.8-67.80000110.4V288V286-V288 PolarHBondContact O-N 3.23Å
287P62.8Low60.8Low95 Ų95133.4 Ų133.462%0.61779%0.79SS**PPolyproline II helixtrans-66.8129.2179.326.4-33.4000111.2W289P287-W289 PolarHBondContact O-N 2.85Å
288V72.8Confident60.3Low135 Ų135134.8 Ų134.882%0.81879%0.79SS**  trans-87.2106.4178.2179.80000109.7V286 G290V286-V288 PolarHBondContact O-N 3.23Å; V288-G290 VanDerWaalsContact C-N 3.3Å; V288-G290 PolarHBondContact O-N 2.74Å
289W70.3Confident59.2Low233 Ų233131.3 Ų131.388%0.88379%0.788SS**  trans-76.678.6174.2-59.9104.1000111.1P287 C291P287-W289 PolarHBondContact O-N 2.85Å; W289-C291 PolarHBondContact O-N 3.11Å
290G65.1Low58Low58 Ų58133.8 Ų133.860%0.59879%0.786SS**  trans-74.1109.6178.800000112.9V288 K292V288-G290 VanDerWaalsContact C-N 3.3Å; V288-G290 PolarHBondContact O-N 2.74Å; G290-K292 PolarHBondContact O-N 3.26Å
291C47.3Very low57Low131 Ų131128.4 Ų128.489%0.88579%0.785SS**  trans-70.792.9165.3-171.80000109.7W289 S293W289-C291 PolarHBondContact O-N 3.11Å; C291-S293 PolarHBondContact O-N 3.01Å; C291-S293 VanDerWaalsContact O-N 3.09Å
292K60.8Low55.9Low197 Ų197129.9 Ų129.986%0.85778%0.784SS**  trans-73.895.5178.550.8-174.5174-175.20111.2G290 S294G290-K292 PolarHBondContact O-N 3.26Å; K292-S294 PolarHBondContact O-N 3.42Å
293S43.7Very low54.4Low110 Ų110127.6 Ų127.677%0.76978%0.78SS**  trans-63.9114.7166-1740000109.3C291 R295C291-S293 PolarHBondContact O-N 3.01Å; C291-S293 VanDerWaalsContact O-N 3.09Å; S293-R295 PolarHBondContact O-N 3.4Å; S293-R295 VanDerWaalsContact O-N 3.12Å
294S43.8Very low53.6Low114 Ų114126 Ų12680%0.79779%0.787SS**  trans-66.9108.6178.8-173.40000110.3K292K292-S294 PolarHBondContact O-N 3.42Å
295R47.8Very low52.5Low204 Ų204127.2 Ų127.277%0.7778%0.784SS**  trans-87.5105.5160.2-81.7-164.5-92.4-160.3-0.8107.9S293S293-R295 PolarHBondContact O-N 3.4Å; S293-R295 VanDerWaalsContact O-N 3.12Å
296A40.2Very low51.3Low92 Ų92132 Ų13276%0.7678%0.784SS**PPolyproline II helixtrans-59.2136.2172.400000110.5
297A44Very low50.4Low86 Ų86132 Ų13271%0.71180%0.796SS**PPolyproline II helixtrans-76.2151.1164.800000109.7
298P49.5Very low50.1Low137 Ų137131.2 Ų131.289%0.8981%0.805SS**PPolyproline II helixtrans-82.2123.8176.232-31.7000111.1
299G40.5Very low49.1Very low67 Ų67129.2 Ų129.269%0.69180%0.796SS**  trans133.6128.9-179.900000110.4
300D34.7Very low49Very low160 Ų160121.3 Ų121.386%0.85678%0.78SS**  cis-136.5156.74.5-105.2-48.7000112N302D300-N302 PolarHBondContact O-N 3.07Å
301S47.3Very low49.9Very low124 Ų124123 Ų12387%0.86778%0.776SS**  trans-82.291.9-179.2-64.60000112.5
302N46Very low51.7Low146 Ų146123.3 Ų123.378%0.78177%0.768SS**  trans-165.2163.7143.661.488.9000112D300D300-N302 PolarHBondContact O-N 3.07Å
303S42.8Very low52.9Low103 Ų103121.5 Ų121.572%0.7276%0.762SS**  trans69.3116-171.4-156.90000115.5E305S303-E305 VanDerWaalsContact C-N 3.35Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 VanDerWaalsContact O-N 3.13Å
304G49.6Very low54.8Low93 Ų93122.7 Ų122.796%0.95976%0.755SS**  trans-86.964.5-177.700000113
305E47.5Very low56.8Low156 Ų156121 Ų12173%0.72974%0.736SS**  trans-106.8142.8172.8-159.1158.9166.500111.8S303 A307S303-E305 VanDerWaalsContact C-N 3.35Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 VanDerWaalsContact O-N 3.13Å; E305-A307 PolarHBondContact O-N 3.34Å
306R46.3Very low58.7Low218 Ų218113.1 Ų113.182%0.82372%0.715SS**  trans-69.3116.6-167.9-63.7-102.5-165.7165.55.7110.2G308 C309R306-G308 PolarHBondContact O-N 3.12Å; R306-C309 PolarHBondContact O-N 3.42Å
307A54.6Low60.8Low114 Ų114111.4 Ų111.494%0.94270%0.701SS**THydrogen-bonded Turntrans-55.5104.2166.800000110.1E305E305-A307 PolarHBondContact O-N 3.34Å
308G56.9Low62.7Low78 Ų78110.5 Ų110.580%0.80469%0.689SS**THydrogen-bonded Turntrans150.5-26-174.800000114.7R306 A310R306-G308 PolarHBondContact O-N 3.12Å; G308-A310 PolarHBondContact O-N 3.21Å
309C53Low64.4Low93 Ų93109.4 Ų109.463%0.62867%0.674SS**  trans-74.4125.5169.4-67.40000109.7R306R306-C309 PolarHBondContact O-N 3.42Å
310A68.1Low66.3Low66 Ų66113 Ų11355%0.54567%0.67SS.*  trans-66.7132.9163.400000108.2G308 L312 I315G308-A310 PolarHBondContact O-N 3.21Å; A310-L312 PolarHBondContact O-N 2.93Å; A310-I315 HydrophobicContact CB-CD1 3.89Å
311D83.1Confident68.3Low94 Ų94108.7 Ų108.750%0.50366%0.657SS.*  trans-55.8110.9-177.3175.7-0.3000110.4E313 H314 I315D311-E313 PolarHBondContact O-N 3.25Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 WeakPolarHBondContact OD1-CB 3.39Å; D311-E313 PolarHBondContact OD1-N 3.16Å; D311-H314 HydrophobicContact CB-CB 3.77Å; D311-H314 WeakPolarHBondContact O-CB 3.44Å; D311-H314 PolarHBondContact O-N 3.2Å; D311-H314 PolarHBondContact OD1-N 3.45Å; D311-H314 WeakPolarHBondContact OD2-CB 3.19Å; D311-I315 WeakPolarHBondContact O-CG1 3.42Å; D311-I315 PolarHBondContact O-N 3Å
312L85.8Confident69.6Low137 Ų137109.8 Ų109.872%0.71765%0.652SS**Hα-helixtrans-66.2-29.3-177.1-63.5176.7000111.4A310 A316A310-L312 PolarHBondContact O-N 2.93Å; L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.46Å; L312-A316 PolarHBondContact O-N 2.84Å
313E84.6Confident70.7Confident160 Ų160109.4 Ų109.475%0.74865%0.649SS**Hα-helixtrans-71.7-40.1175.5-54.3-167.4-176.800110.3D311 A316 A317D311-E313 PolarHBondContact O-N 3.25Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 WeakPolarHBondContact OD1-CB 3.39Å; D311-E313 PolarHBondContact OD1-N 3.16Å; E313-A316 PolarHBondContact O-N 3.31Å; E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.28Å; E313-A317 PolarHBondContact O-N 2.66Å
314H84.9Confident71.9Confident134 Ų134109 Ų10962%0.6264%0.643SS**Hα-helixtrans-63.8-42.9173.9-161.786.9000112.5D311 A317 S318D311-H314 HydrophobicContact CB-CB 3.77Å; D311-H314 WeakPolarHBondContact O-CB 3.44Å; D311-H314 PolarHBondContact O-N 3.2Å; D311-H314 PolarHBondContact OD1-N 3.45Å; D311-H314 WeakPolarHBondContact OD2-CB 3.19Å; H314-A317 PolarHBondContact O-N 2.92Å; H314-S318 WeakPolarHBondContact O-CB 3.35Å; H314-S318 PolarHBondContact O-N 3.31Å
315I86Confident72.2Confident78 Ų78110.1 Ų110.140%0.463%0.633SS.*Hα-helixtrans-62.4-47.4174.3-64.8170.6000110.1A310 D311 A317 S318 M319A310-I315 HydrophobicContact CB-CD1 3.89Å; D311-I315 WeakPolarHBondContact O-CG1 3.42Å; D311-I315 PolarHBondContact O-N 3Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.18Å; I315-S318 PolarHBondContact O-N 3.46Å; I315-M319 HydrophobicContact CG2-SD 4.31Å; I315-M319 WeakPolarHBondContact O-CG 3.4Å; I315-M319 PolarHBondContact O-N 3.3Å
316A86.9Confident72.6Confident40 Ų40106.4 Ų106.433%0.33164%0.637SS.*Hα-helixtrans-63.3-37.1178.400000112.6L312 E313 K320L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.46Å; L312-A316 PolarHBondContact O-N 2.84Å; E313-A316 PolarHBondContact O-N 3.31Å; A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 WeakPolarHBondContact O-CD 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.47Å; A316-K320 PolarHBondContact O-N 3.49Å
317A84.3Confident73.2Confident55 Ų5599.8 Ų99.846%0.45563%0.628SS.*Hα-helixtrans-66.5-42.6174.300000111.9E313 H314 I315 K320 A321E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.28Å; E313-A317 PolarHBondContact O-N 2.66Å; H314-A317 PolarHBondContact O-N 2.92Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.18Å; A317-K320 PolarHBondContact O-N 2.97Å; A317-A321 PolarHBondContact O-N 2.96Å
318S83.9Confident73.2Confident67 Ų67100.9 Ų100.947%0.46962%0.624SS.*Hα-helixtrans-62.9-45.5175.9-175.70000112.1H314 I315 K320 A321 L322H314-S318 WeakPolarHBondContact O-CB 3.35Å; H314-S318 PolarHBondContact O-N 3.31Å; I315-S318 PolarHBondContact O-N 3.46Å; S318-K320 VanDerWaalsContact C-N 3.35Å; S318-K320 PolarHBondContact O-N 3.4Å; S318-A321 WeakPolarHBondContact O-CB 3.48Å; S318-A321 PolarHBondContact O-N 3.13Å; S318-A321 VanDerWaalsContact O-N 3.16Å; S318-L322 PolarHBondContact O-N 3.1Å
319M85.1Confident73Confident115 Ų115103.7 Ų103.757%0.56762%0.62SS**Hα-helixtrans-61.5-41.2174.1-70.8-177.570.400112.2I315 A321 L322 L323I315-M319 HydrophobicContact CG2-SD 4.31Å; I315-M319 WeakPolarHBondContact O-CG 3.4Å; I315-M319 PolarHBondContact O-N 3.3Å; M319-A321 VanDerWaalsContact C-N 3.32Å; M319-A321 PolarHBondContact O-N 3.06Å; M319-L322 PolarHBondContact O-N 2.84Å; M319-L323 WeakPolarHBondContact O-CG 3.21Å; M319-L323 PolarHBondContact O-N 3.25Å
320K80.3Confident73.3Confident142 Ų142103.2 Ų103.262%0.61763%0.631SS**Hα-helixtrans-61.8-38.6174-76.1168.1-176.7173.90111.8A316 A317 S318 L322 L323 V324A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 WeakPolarHBondContact O-CD 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.47Å; A316-K320 PolarHBondContact O-N 3.49Å; A317-K320 PolarHBondContact O-N 2.97Å; S318-K320 VanDerWaalsContact C-N 3.35Å; S318-K320 PolarHBondContact O-N 3.4Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 PolarHBondContact O-N 2.98Å; K320-L323 VanDerWaalsContact O-N 3.1Å; K320-V324 WeakPolarHBondContact O-CG2 3.4Å; K320-V324 PolarHBondContact O-N 3.4Å
321A77.7Confident72.7Confident69 Ų69104.2 Ų104.257%0.5763%0.63SS**Hα-helixtrans-64.6-33.2177.600000113.1A317 S318 M319 L323A317-A321 PolarHBondContact O-N 2.96Å; S318-A321 WeakPolarHBondContact O-CB 3.48Å; S318-A321 PolarHBondContact O-N 3.13Å; S318-A321 VanDerWaalsContact O-N 3.16Å; M319-A321 VanDerWaalsContact C-N 3.32Å; M319-A321 PolarHBondContact O-N 3.06Å; A321-L323 VanDerWaalsContact C-N 3.34Å
322L73.8Confident71.6Confident148 Ų148108 Ų10878%0.77565%0.645SS**Hα-helixtrans-73-25.6172.4-63.1174.2000113.2S318 M319 K320S318-L322 PolarHBondContact O-N 3.1Å; M319-L322 PolarHBondContact O-N 2.84Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3Å
323L70Confident70.5Confident137 Ų137109.8 Ų109.872%0.71765%0.652SS**Hα-helixtrans-87.9-21.7178.4-71.9164.4000113.2M319 K320 A321 P325M319-L323 WeakPolarHBondContact O-CG 3.21Å; M319-L323 PolarHBondContact O-N 3.25Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 PolarHBondContact O-N 2.98Å; K320-L323 VanDerWaalsContact O-N 3.1Å; A321-L323 VanDerWaalsContact C-N 3.34Å; L323-P325 VanDerWaalsContact O-CD 3.29Å; L323-P325 WeakPolarHBondContact O-CD 3.33Å
324V67Low69.3Low96 Ų96111.8 Ų111.858%0.58266%0.658SS**SBendtrans-64.2120.8167.2169.80000107.3K320 G326K320-V324 WeakPolarHBondContact O-CG2 3.4Å; K320-V324 PolarHBondContact O-N 3.4Å; V324-G326 PolarHBondContact O-N 2.93Å
325P57.1Low68.3Low115 Ų115108.9 Ų108.975%0.74767%0.665SS**  trans-62.5107174.2-20.933.9000108.8L323 A327L323-P325 VanDerWaalsContact O-CD 3.29Å; L323-P325 WeakPolarHBondContact O-CD 3.33Å; P325-A327 PolarHBondContact O-N 3.2Å
326G56Low67.1Low79 Ų79110.2 Ų110.281%0.81469%0.688SS**  trans-63.184.6164.900000108.2V324V324-G326 PolarHBondContact O-N 2.93Å
327A57.5Low66Low78 Ų78115.8 Ų115.865%0.64571%0.711SS**  trans-64.8136.2-176.600000110.1P325P325-A327 PolarHBondContact O-N 3.2Å
328T54.8Low65.1Low138 Ų138118.9 Ų118.985%0.84773%0.726SS**  trans59.575.7160.967.50000116.9
329D53Low64.3Low137 Ų137126.3 Ų126.373%0.73374%0.744SS**  -115.1118.8120.6-166.6-25.3000107.3T331D329-T331 PolarHBondContact O-N 3.2Å; D329-T331 PolarHBondContact OD1-OG1 3.38Å
330G59.1Low63.3Low82 Ų82127 Ų12785%0.84576%0.757SS**  trans-78.124.8-169.300000114.4
331T55.1Low62.6Low87 Ų87131.2 Ų131.253%0.53477%0.769SS.*  trans-10975-167.7-46.20000111.3D329 M333D329-T331 PolarHBondContact O-N 3.2Å; D329-T331 PolarHBondContact OD1-OG1 3.38Å; T331-M333 VanDerWaalsContact C-N 3.34Å; T331-M333 WeakPolarHBondContact O-CG 3.45Å; T331-M333 PolarHBondContact O-N 2.95Å
332E61.7Low61.8Low174 Ų174135.2 Ų135.281%0.81378%0.78SS**  trans32.344.2143.363.7175.4173.600120.5F334E332-F334 PolarHBondContact O-N 3.36Å
333M62.4Low60.6Low174 Ų174135.5 Ų135.586%0.85778%0.783SS**  trans-79.271.8174.5-69.3-106.9-74.800112.2T331T331-M333 VanDerWaalsContact C-N 3.34Å; T331-M333 WeakPolarHBondContact O-CG 3.45Å; T331-M333 PolarHBondContact O-N 2.95Å
334F59.5Low59.6Low202 Ų202135.4 Ų135.489%0.88679%0.788SS**SBendtrans51.591.6158.4-66.2-90.4000118.5E332E332-F334 PolarHBondContact O-N 3.36Å
335G64.1Low59Low74 Ų74133 Ų13376%0.76378%0.783SS**SBendtrans172.5104.4161.300000116.2L337G335-L337 PolarHBondContact O-N 2.81Å
336A59.9Low59Low106 Ų106135.1 Ų135.188%0.87679%0.788SS**  trans61.237.9155.400000120
337L64.3Low59Low157 Ų157141.8 Ų141.882%0.82280%0.795SS**PPolyproline II helixtrans-72.6133.2151.4-71.1179.3000109.6G335 R339G335-L337 PolarHBondContact O-N 2.81Å; L337-R339 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact O-N 3.15Å
338P64.1Low58.7Low119 Ų119142.6 Ų142.677%0.77380%0.796SS**PPolyproline II helixtrans-60.7118.1177.1-22.533.1000110.8
339R68.5Low58.7Low224 Ų224143.9 Ų143.985%0.84580%0.796SS**PPolyproline II helixtrans-58.6129.3172.7-68.4-178.9-179.9147.10.6108.7L337 R341L337-R339 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact O-N 3.15Å; R339-R341 PolarHBondContact O-N 2.94Å
340P63.6Low58.6Low129 Ų129146.4 Ų146.484%0.83880%0.801SS**  trans-54.6115.2172.4-24.834.1000109.2L342P340-L342 PolarHBondContact O-N 2.9Å; P340-L342 VanDerWaalsContact O-N 3.1Å
341R66.1Low57.9Low230 Ų230155.1 Ų155.187%0.86882%0.819SS**  trans-70.6111.1177.6-61.7-173.280.8126.50.8107R339 N343R339-R341 PolarHBondContact O-N 2.94Å; R341-N343 PolarHBondContact O-N 2.86Å
342L60.2Low58.1Low153 Ų153158.5 Ų158.580%0.80183%0.833SS**  trans-60111.8172.7-169.776.7000107.8P340 T344P340-L342 PolarHBondContact O-N 2.9Å; P340-L342 VanDerWaalsContact O-N 3.1Å; L342-T344 PolarHBondContact O-N 3.38Å
343N49.1Very low57.9Low155 Ų155157.7 Ų157.783%0.82983%0.834SS**  trans-71.891.1176.8-76.4-41.4000109.5R341 G345R341-N343 PolarHBondContact O-N 2.86Å; N343-G345 PolarHBondContact O-N 3.21Å
344T49.2Very low57.6Low134 Ų134156.8 Ų156.882%0.82283%0.833SS**  trans-79.167.7156.952.70000108.8L342L342-T344 PolarHBondContact O-N 3.38Å
345G54.3Low57.5Low47 Ų47154.1 Ų154.149%0.48583%0.83SS.*  trans-89.3144.9167.300000110.9N343N343-G345 PolarHBondContact O-N 3.21Å
346D56.8Low57.1Low158 Ų158159.1 Ų159.185%0.84583%0.834SS**  trans7060.7146.1-45.4-26.1000119.1S348D346-S348 PolarHBondContact O-N 3.13Å
347F55.7Low56.9Low219 Ų219162.7 Ų162.796%0.96183%0.831SS**  trans-75.284.1143.5-73.8-67.9000109.5
348S50.9Low56.4Low96 Ų96163.1 Ų163.167%0.67183%0.832SS**  trans-60.4137.2175.4-167.60000111.4D346 K350D346-S348 PolarHBondContact O-N 3.13Å; S348-K350 PolarHBondContact O-N 3.21Å
349L54.4Low55.8Low164 Ų164166.5 Ų166.586%0.85984%0.837SS**  trans-52.5128.2165-86.979000110
350K52.4Low54.8Low190 Ų190161.7 Ų161.783%0.82684%0.836SS**  trans-161115.9153.5-111.4148.6-173173.70113.2S348S348-K350 PolarHBondContact O-N 3.21Å
351H44.6Very low54Low265 Ų265164.6 Ų164.6100%1.22784%0.836SS**  trans64.20160.5-101.2-71.2000119.3

Retrieved 351 of 351 residues in 337.8 ms (Link to these results)