A0A087X7Q3_POEFO Loading...

Myotubularin related protein 7a

AlphaFold DB , UniProt , Accession A0A087X7Q3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 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
1M56.3Low83.3Confident185 Ų18594.8 Ų94.891%0.91145%0.454SS*.  0-190-75.9-158.9-77.800113.1H3 I4M1-H3 PolarHBondContact O-N 3.48Å; M1-I4 HydrophobicContact CG-CD1 4.28Å; M1-I4 PolarHBondContact O-N 3.21Å
2E61.1Low84.1Confident189 Ų18986.9 Ų86.988%0.88342%0.416SS*.THydrogen-bonded Turntrans-56.7-13.8-174.3-59.7176.7154.500117
3H78.6Confident84.6Confident83 Ų8387.6 Ų87.638%0.38441%0.412SS..THydrogen-bonded Turntrans-106.7-0.4178.3-58.1-21000113.7M1 R99 L100M1-H3 PolarHBondContact O-N 3.48Å; H3-R99 HydrophobicContact CB-CG 4.1Å; H3-R99 PolarHBondContact NE2-NE 3.21Å; H3-R99 PolarHBondContact NE2-NH2 3.29Å; H3-L100 HydrophobicContact CB-CD2 4.14Å
4I86.1Confident85Confident25 Ų2582.4 Ų82.413%0.12839%0.388CS..  trans-96.4110.9179.8-54.8165000108M1 P7 L30 T31 L100M1-I4 HydrophobicContact CG-CD1 4.28Å; M1-I4 PolarHBondContact O-N 3.21Å; I4-P7 HydrophobicContact CG2-CB 3.97Å; I4-L30 HydrophobicContact CG2-CB 4.01Å; I4-T31 VanDerWaalsContact CD1-C 3.43Å; I4-T31 WeakPolarHBondContact CD1-O 3.43Å; I4-L100 HydrophobicContact CG1-CD1 3.99Å
5R86.9Confident85.1Confident154 Ų15480.9 Ų80.958%0.58138%0.383SS*.SBendtrans-79.3-36.2178.2-61.6-174177-150-1.9112.7D92 L95 S96R5-D92 HydrophobicContact CB-CB 3.78Å; R5-D92 WeakPolarHBondContact CD-OD1 3.38Å; R5-D92 IonicContact NH1-OD1 2.94Å; R5-D92 PolarHBondContact NH1-OD1 3.43Å; R5-L95 VanDerWaalsContact NH1-CD1 3.34Å; R5-S96 PolarHBondContact N-OG 2.97Å
6L87Confident84.7Confident38 Ų3878.5 Ų78.520%0.19937%0.373CS..  trans-139.3101.4-178.9-173.856.7000109.9K8 V9 D89 D92L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.2Å; L6-V9 HydrophobicContact CD2-CG2 3.58Å; L6-V9 HydrophobicContact CG-CG2 3.86Å; L6-D89 HydrophobicContact CD2-CB 3.56Å; L6-D92 HydrophobicContact CB-CB 4.13Å
7P89.9Confident83.9Confident73 Ų7376.5 Ų76.547%0.47436%0.361SS..SBendtrans-77.8-13.7-17230.3-36.2000114.3I4 Y29 L30I4-P7 HydrophobicContact CG2-CB 3.97Å; P7-Y29 WeakPolarHBondContact O-CA 3.33Å; P7-L30 PolarHBondContact O-N 2.96Å
8K94.1Very high83Confident87 Ų8775.2 Ų75.238%0.37836%0.359SS..EExtended strand (participates in β ladder)trans-147.6131.7-177.3-175.9-173.7177.7-164.30110.2L6 E10 T27 L28 Y29L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.2Å; K8-E10 WeakPolarHBondContact CE-OE1 3.33Å; K8-E10 IonicContact NZ-OE1 2.76Å; K8-E10 PolarHBondContact NZ-OE1 3.39Å; K8-T27 HydrophobicContact CD-CG2 4.28Å; K8-T27 HydrophobicContact CG-CG2 3.67Å; K8-L28 CarbonylContact C-O 3.58Å; K8-L28 WeakPolarHBondContact CA-O 3.28Å; K8-Y29 HydrophobicContact CB-CD1 4.23Å; K8-Y29 HydrophobicContact CB-CE1 4.39Å; K8-Y29 HydrophobicContact CD-CD1 4.41Å; K8-Y29 HydrophobicContact CD-CE1 3.74Å; K8-Y29 HydrophobicContact CG-CD1 3.95Å; K8-Y29 HydrophobicContact CG-CE1 3.7Å
9V92.9Very high82.1Confident4 Ų473.7 Ų73.72%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-130.7120.9172.5-169.50000109.1L6 V12 T27 L28 I84 D89 V93L6-V9 HydrophobicContact CD2-CG2 3.58Å; L6-V9 HydrophobicContact CG-CG2 3.86Å; V9-V12 HydrophobicContact CB-CG2 3.8Å; V9-V12 HydrophobicContact CG1-CG2 3.53Å; V9-V12 WeakPolarHBondContact O-CG2 3.4Å; V9-T27 CarbonylContact O-C 3.58Å; V9-T27 WeakPolarHBondContact O-CA 3.47Å; V9-T27 WeakPolarHBondContact O-CG2 3.36Å; V9-L28 PolarHBondContact N-O 3.32Å; V9-L28 PolarHBondContact O-N 3.42Å; V9-I84 HydrophobicContact CG1-CG2 3.96Å; V9-D89 HydrophobicContact CG1-CB 4.16Å; V9-D89 HydrophobicContact CG2-CB 4.47Å; V9-V93 HydrophobicContact CG2-CG2 3.6Å
10E92.7Very high81.1Confident101 Ų10174.4 Ų74.447%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-91.3162.1179.3-63.7-177.5162.700111.7K8 V12 T27K8-E10 WeakPolarHBondContact CE-OE1 3.33Å; K8-E10 IonicContact NZ-OE1 2.76Å; K8-E10 PolarHBondContact NZ-OE1 3.39Å; E10-V12 PolarHBondContact O-N 2.95Å; E10-T27 HydrophobicContact CG-CG2 4.08Å
11N90.8Very high80.2Confident104 Ų10482.6 Ų82.656%0.55640%0.395SS*.EExtended strand (participates in β ladder)trans57.528.3178-54.6-55.4000114.1G26 P85N11-G26 PolarHBondContact N-O 3.19Å; N11-G26 VanDerWaalsContact N-O 3.15Å; N11-P85 HydrophobicContact CB-CG 4.17Å; N11-P85 WeakPolarHBondContact O-CG 3.4Å
12V92.4Very high80.8Confident0 Ų082.7 Ų82.70%039%0.385CS..EExtended strand (participates in β ladder)trans-73.3135173.6-179.90000108.7V9 E10 G26 L28 F37 F82 I84V9-V12 HydrophobicContact CB-CG2 3.8Å; V9-V12 HydrophobicContact CG1-CG2 3.53Å; V9-V12 WeakPolarHBondContact O-CG2 3.4Å; E10-V12 PolarHBondContact O-N 2.95Å; V12-G26 PolarHBondContact N-O 2.89Å; V12-G26 PolarHBondContact O-N 3.41Å; V12-L28 HydrophobicContact CB-CB 4.41Å; V12-L28 HydrophobicContact CG2-CB 4Å; V12-F37 HydrophobicContact CB-CE2 4.24Å; V12-F37 HydrophobicContact CG1-CE2 4.35Å; V12-F37 WeakPolarHBondContact O-CE2 3.47Å; V12-F82 HydrophobicContact CG1-CB 4.05Å; V12-F82 HydrophobicContact CG1-CD1 3.65Å; V12-F82 HydrophobicContact CG1-CG 4.19Å; V12-I84 HydrophobicContact CG1-CG1 4.12Å; V12-I84 HydrophobicContact CG2-CG1 4.22Å
13R91.4Very high81.6Confident96 Ų9675.8 Ų75.836%0.36236%0.358SS..EExtended strand (participates in β ladder)trans-97.4118.8173.9-77.5-175.3-82.5-147.6-4.7110.2L15 R24 V25 S66 F82 S83R13-L15 HydrophobicContact CB-CD2 4.29Å; R13-R24 CarbonylContact C-O 3.49Å; R13-R24 WeakPolarHBondContact CA-O 3.5Å; R13-V25 HydrophobicContact CG-CG2 4.09Å; R13-S66 PolarHBondContact NH2-O 2.83Å; R13-F82 CarbonylContact O-C 3.57Å; R13-F82 VanDerWaalsContact O-CA 3.32Å; R13-F82 WeakPolarHBondContact O-CA 3.48Å; R13-S83 PolarHBondContact N-O 3.34Å; R13-S83 PolarHBondContact O-N 2.95Å
14L90Very high82Confident15 Ų1574 Ų748%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-87.1117.3164.4175.459.9000108.4S23 R24 F37 L80 F82L14-S23 WeakPolarHBondContact O-CA 3.18Å; L14-R24 HydrophobicContact CB-CB 4.41Å; L14-R24 PolarHBondContact N-O 2.82Å; L14-R24 PolarHBondContact O-N 2.98Å; L14-F37 HydrophobicContact CB-CD1 4.23Å; L14-F37 HydrophobicContact CB-CE1 3.72Å; L14-F37 HydrophobicContact CB-CE2 4.23Å; L14-F37 HydrophobicContact CB-CZ 3.71Å; L14-F37 HydrophobicContact CD2-CD1 3.86Å; L14-F37 HydrophobicContact CD2-CE1 3.93Å; L14-L80 HydrophobicContact CD1-CB 4.38Å; L14-L80 HydrophobicContact CD1-CD2 4.06Å; L14-F82 HydrophobicContact CB-CD1 4.13Å; L14-F82 HydrophobicContact CB-CE1 3.99Å; L14-F82 HydrophobicContact CD1-CD1 4.08Å; L14-F82 HydrophobicContact CD1-CE1 3.8Å; L14-F82 HydrophobicContact CD1-CZ 4.21Å; L14-F82 HydrophobicContact CG-CE1 4.32Å
15L86.7Confident82.2Confident59 Ų5975 Ų7531%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-91.1128.9-178.3-53.4178.6000110.2R13 H81R13-L15 HydrophobicContact CB-CD2 4.29Å; L15-H81 HydrophobicContact CB-CB 3.98Å; L15-H81 PolarHBondContact N-O 3.37Å
16D78.4Confident82.5Confident43 Ų4367.7 Ų67.723%0.2333%0.327CS..PPolyproline II helixtrans-75.2132.8170.5-175.8-63.5000110.4V18 S19 P20 R22D16-V18 PolarHBondContact OD1-N 2.87Å; D16-S19 CarbonylContact O-C 3.21Å; D16-S19 PolarHBondContact OD1-N 2.88Å; D16-P20 WeakPolarHBondContact O-CA 3.4Å; D16-R22 HydrophobicContact CB-CB 4.45Å
17R71.1Confident82.9Confident44 Ų4466.7 Ų66.717%0.16632%0.322CS..SBendtrans-67.7-38-174.8-164.1-176.887.1-159.58.5112.8C290 D510R17-C290 VanDerWaalsContact CZ-O 3.24Å; R17-C290 PolarHBondContact NH2-O 3.37Å; R17-D510 IonicContact CZ-OD1 3.63Å; R17-D510 IonicContact CZ-OD2 2.77Å; R17-D510 VanDerWaalsContact CZ-OD2 3.22Å; R17-D510 IonicContact NE-OD1 3.58Å; R17-D510 IonicContact NH1-OD1 3.28Å; R17-D510 PolarHBondContact NH1-OD1 3.37Å; R17-D510 IonicContact NH1-OD2 3.76Å; R17-D510 PolarHBondContact NH1-OD2 2.98Å; R17-D510 IonicContact NH2-OD1 3.06Å; R17-D510 PolarHBondContact NH2-OD1 2.89Å; R17-D510 IonicContact NH2-OD2 3.74Å; R17-D510 PolarHBondContact NH2-OD2 3.34Å
18V67.5Low83.1Confident54 Ų5463.3 Ų63.333%0.32730%0.3SS..SBendtrans-88.8-32.9-174.6-176.50000110.3D16 M513D16-V18 PolarHBondContact OD1-N 2.87Å; V18-M513 HydrophobicContact CG2-CG 4.36Å
19S66.8Low83.1Confident47 Ų4763.2 Ų63.233%0.32930%0.298SS..  trans-132.378.1-178.2-76.40000111.6D16 R21 R22D16-S19 CarbonylContact O-C 3.21Å; D16-S19 PolarHBondContact OD1-N 2.88Å; S19-R21 PolarHBondContact O-N 3.39Å; S19-R22 WeakPolarHBondContact O-CA 3.42Å; S19-R22 WeakPolarHBondContact O-CB 3.38Å; S19-R22 PolarHBondContact O-N 3.45Å
20P61.5Low83.1Confident87 Ų8763.5 Ų63.557%0.56530%0.299SS*.THydrogen-bonded Turntrans-61.1-12.7-179.423-34.3000114.7D16 R22D16-P20 WeakPolarHBondContact O-CA 3.4Å; P20-R22 VanDerWaalsContact C-N 3.27Å
21R61.8Low83.1Confident247 Ų24761 Ų6193%0.93229%0.291SS*.THydrogen-bonded Turntrans-71.8-16.9168.7-64.5-174.3-179.2-1751113.7S19S19-R21 PolarHBondContact O-N 3.39Å
22R68.4Low82.8Confident187 Ų18758.9 Ų58.971%0.70629%0.288SS*.  trans-97.959.3173.8-66.8-177.1172.7-176-2.4110D16 S19 P20D16-R22 HydrophobicContact CB-CB 4.45Å; S19-R22 WeakPolarHBondContact O-CA 3.42Å; S19-R22 WeakPolarHBondContact O-CB 3.38Å; S19-R22 PolarHBondContact O-N 3.45Å; P20-R22 VanDerWaalsContact C-N 3.27Å
23S79.2Confident82.6Confident44 Ų4460.7 Ų60.731%0.30830%0.299SS..PPolyproline II helixtrans-77.4126.3171.464.90000110.2L14L14-S23 WeakPolarHBondContact O-CA 3.18Å
24R86.8Confident82.6Confident46 Ų4657.3 Ų57.317%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-91.9126.1178.2-62.2172.766.1-152.90.9109.2R13 L14 F37 E39 S46R13-R24 CarbonylContact C-O 3.49Å; R13-R24 WeakPolarHBondContact CA-O 3.5Å; L14-R24 HydrophobicContact CB-CB 4.41Å; L14-R24 PolarHBondContact N-O 2.82Å; L14-R24 PolarHBondContact O-N 2.98Å; R24-F37 HydrophobicContact CB-CE1 4.35Å; R24-E39 VanDerWaalsContact CB-OE1 3.24Å; R24-E39 WeakPolarHBondContact CB-OE1 3.44Å; R24-E39 WeakPolarHBondContact CG-OE1 3.36Å; R24-E39 IonicContact CZ-OE1 2.7Å; R24-E39 IonicContact CZ-OE2 3.5Å; R24-E39 IonicContact NE-OE1 3.21Å; R24-E39 PolarHBondContact NE-OE1 2.77Å; R24-E39 IonicContact NE-OE2 2.67Å; R24-E39 PolarHBondContact NE-OE2 2.93Å; R24-E39 VanDerWaalsContact NH2-CD 3.34Å; R24-E39 IonicContact NH2-OE1 2.76Å; R24-E39 IonicContact NH2-OE2 2.87Å; R24-E39 PolarHBondContact NH2-OE2 3.01Å; R24-S46 PolarHBondContact NH2-OG 3.32Å
25V90.7Very high82.8Confident45 Ų4556.9 Ų56.927%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-94.3134.9177.7-174.70000109.3R13 S40R13-V25 HydrophobicContact CG-CG2 4.09Å; V25-S40 PolarHBondContact O-N 2.95Å
26G92.8Very high83.2Confident0 Ų055 Ų550%028%0.276CS..EExtended strand (participates in β ladder)trans-164.2-170.4-176.700000114.3N11 V12 V38N11-G26 PolarHBondContact N-O 3.19Å; N11-G26 VanDerWaalsContact N-O 3.15Å; V12-G26 PolarHBondContact N-O 2.89Å; V12-G26 PolarHBondContact O-N 3.41Å; G26-V38 CarbonylContact C-O 3.45Å; G26-V38 WeakPolarHBondContact CA-O 3.5Å
27T94.3Very high83.9Confident17 Ų1753 Ų5310%0.10427%0.265CS..EExtended strand (participates in β ladder)trans-111.2129.2173.8-55.20000109.7K8 V9 E10 Y29 F37 V38K8-T27 HydrophobicContact CD-CG2 4.28Å; K8-T27 HydrophobicContact CG-CG2 3.67Å; V9-T27 CarbonylContact O-C 3.58Å; V9-T27 WeakPolarHBondContact O-CA 3.47Å; V9-T27 WeakPolarHBondContact O-CG2 3.36Å; E10-T27 HydrophobicContact CG-CG2 4.08Å; T27-Y29 HydrophobicContact CG2-CD2 4.03Å; T27-Y29 HydrophobicContact CG2-CE1 4.06Å; T27-Y29 HydrophobicContact CG2-CE2 3.45Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.45Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.46Å; T27-F37 WeakPolarHBondContact O-CA 3.49Å; T27-V38 PolarHBondContact N-O 3.03Å; T27-V38 PolarHBondContact O-N 3.3Å
28L95.1Very high84.9Confident2 Ų251.9 Ų51.91%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-94.5123.5171.6-178.764.2000109.4K8 V9 V12 F37 F82 V93K8-L28 CarbonylContact C-O 3.58Å; K8-L28 WeakPolarHBondContact CA-O 3.28Å; V9-L28 PolarHBondContact N-O 3.32Å; V9-L28 PolarHBondContact O-N 3.42Å; V12-L28 HydrophobicContact CB-CB 4.41Å; V12-L28 HydrophobicContact CG2-CB 4Å; L28-F37 HydrophobicContact CD1-CB 4.31Å; L28-F82 HydrophobicContact CD1-CZ 4.27Å; L28-V93 HydrophobicContact CD2-CG1 4.13Å
29Y94.7Very high86Confident86 Ų8651.5 Ų51.534%0.33726%0.257SS..EExtended strand (participates in β ladder)trans-108.4137.1173.3-61.5-90.8000109.8P7 K8 T27 S35 I36 V38P7-Y29 WeakPolarHBondContact O-CA 3.33Å; K8-Y29 HydrophobicContact CB-CD1 4.23Å; K8-Y29 HydrophobicContact CB-CE1 4.39Å; K8-Y29 HydrophobicContact CD-CD1 4.41Å; K8-Y29 HydrophobicContact CD-CE1 3.74Å; K8-Y29 HydrophobicContact CG-CD1 3.95Å; K8-Y29 HydrophobicContact CG-CE1 3.7Å; T27-Y29 HydrophobicContact CG2-CD2 4.03Å; T27-Y29 HydrophobicContact CG2-CE1 4.06Å; T27-Y29 HydrophobicContact CG2-CE2 3.45Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.45Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.46Å; Y29-S35 WeakPolarHBondContact O-CA 3.23Å; Y29-I36 PolarHBondContact N-O 3.29Å; Y29-I36 PolarHBondContact O-N 2.96Å; Y29-V38 HydrophobicContact CD2-CG2 3.99Å; Y29-V38 HydrophobicContact CE2-CB 4.26Å; Y29-V38 HydrophobicContact CE2-CG2 3.84Å
30L93.1Very high86.8Confident9 Ų953.1 Ų53.15%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-111.4124.2171.5-63.4-175.1000109.7I4 P7 S35 V93 L97I4-L30 HydrophobicContact CG2-CB 4.01Å; P7-L30 PolarHBondContact O-N 2.96Å; L30-S35 VanDerWaalsContact CD2-OG 3.31Å; L30-S35 WeakPolarHBondContact CD2-OG 3.44Å; L30-V93 HydrophobicContact CD1-CB 4.4Å; L30-V93 HydrophobicContact CD1-CG1 4.24Å; L30-V93 HydrophobicContact CD1-CG2 4.13Å; L30-L97 HydrophobicContact CD2-CD2 3.79Å; L30-L97 HydrophobicContact CD2-CG 4.28Å
31T91.1Very high87.3Confident49 Ų4955.5 Ų55.530%0.30127%0.273SS..  trans-106.7-167.5172.870.30000109.8I4 T33 H34 I36 H52I4-T31 VanDerWaalsContact CD1-C 3.43Å; I4-T31 WeakPolarHBondContact CD1-O 3.43Å; T31-T33 PolarHBondContact OG1-N 3.28Å; T31-H34 PolarHBondContact N-O 2.93Å; T31-H34 WeakPolarHBondContact OG1-CA 3.46Å; T31-H34 PolarHBondContact OG1-N 2.92Å; T31-H34 PolarHBondContact OG1-O 2.98Å; T31-I36 HydrophobicContact CG2-CD1 4.31Å; T31-H52 PolarHBondContact O-CE1 3.37Å; T31-H52 VanDerWaalsContact O-CE1 3.29Å
32A85.8Confident87Confident59 Ų5949 Ų4949%0.48827%0.272SS..SBendtrans-72.4-33.4170.700000112.3H52A32-H52 PolarHBondContact O-ND1 2.9Å
33T86.8Confident86.4Confident39 Ų3944.6 Ų44.624%0.23928%0.284CS..SBendtrans-114.2-24.8-166.549.10000113.8T31 L51 H52 Y110T31-T33 PolarHBondContact OG1-N 3.28Å; T33-L51 WeakPolarHBondContact O-CA 3.36Å; T33-H52 PolarHBondContact O-N 2.89Å; T33-Y110 HydrophobicContact CG2-CD2 3.58Å; T33-Y110 HydrophobicContact CG2-CE2 3.95Å
34H91.9Very high85.5Confident25 Ų2544.9 Ų44.912%0.11629%0.294CS..EExtended strand (participates in β ladder)trans-137.8146.5-175-57.778.2000113.4T31 I36 W49 V50 L51 H52 Y110T31-H34 PolarHBondContact N-O 2.93Å; T31-H34 WeakPolarHBondContact OG1-CA 3.46Å; T31-H34 PolarHBondContact OG1-N 2.92Å; T31-H34 PolarHBondContact OG1-O 2.98Å; H34-I36 HydrophobicContact CB-CG1 4.19Å; H34-W49 HydrophobicContact CB-CE3 4.47Å; H34-W49 AromaticContact CD2-CE3 3.8Å; H34-V50 CarbonylContact C-O 3.56Å; H34-V50 VanDerWaalsContact CA-O 3.25Å; H34-V50 WeakPolarHBondContact CA-O 3.25Å; H34-L51 WeakPolarHBondContact NE2-CD2 3.46Å; H34-H52 VanDerWaalsContact C-NE2 3.26Å; H34-Y110 AromaticContact CE1-CZ 3.76Å
35S94.1Very high84.7Confident5 Ų552 Ų524%0.03532%0.321CS..EExtended strand (participates in β ladder)trans-87.6134.3152.8-64.70000109.4Y29 L30 W49 V50 H52 L97Y29-S35 WeakPolarHBondContact O-CA 3.23Å; L30-S35 VanDerWaalsContact CD2-OG 3.31Å; L30-S35 WeakPolarHBondContact CD2-OG 3.44Å; S35-W49 WeakPolarHBondContact O-CA 3.43Å; S35-V50 PolarHBondContact N-O 3.46Å; S35-V50 PolarHBondContact O-N 2.91Å; S35-H52 PolarHBondContact N-NE2 2.64Å; S35-H52 PolarHBondContact OG-NE2 3.49Å; S35-L97 WeakPolarHBondContact OG-CD2 3.46Å
36I94.6Very high84.4Confident21 Ų2151.7 Ų51.711%0.10832%0.321CS..EExtended strand (participates in β ladder)trans-128.6114.2177.9-51.4171.1000108.4Y29 T31 H34 V38 W49Y29-I36 PolarHBondContact N-O 3.29Å; Y29-I36 PolarHBondContact O-N 2.96Å; T31-I36 HydrophobicContact CG2-CD1 4.31Å; H34-I36 HydrophobicContact CB-CG1 4.19Å; I36-V38 HydrophobicContact CG2-CG2 4Å; I36-W49 HydrophobicContact CD1-CD2 4.1Å; I36-W49 HydrophobicContact CD1-CE3 3.92Å; I36-W49 HydrophobicContact CD1-CH2 3.67Å; I36-W49 HydrophobicContact CD1-CZ2 3.85Å; I36-W49 HydrophobicContact CD1-CZ3 3.71Å; I36-W49 HydrophobicContact CG1-CD2 3.9Å; I36-W49 HydrophobicContact CG1-CE3 3.96Å; I36-W49 HydrophobicContact CG1-CG 4.38Å; I36-W49 HydrophobicContact CG1-CZ2 4.47Å; I36-W49 HydrophobicContact CG1-CZ3 4.27Å; I36-W49 HydrophobicContact CG2-CD2 4.29Å; I36-W49 HydrophobicContact CG2-CG 4.36Å; I36-W49 HydrophobicContact CG2-CZ2 4.42Å
37F94.2Very high84.3Confident1 Ų154.5 Ų54.50%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-96.8122.7170.9177.2-98.9000109.7V12 L14 R24 T27 L28 E47 T48 F82V12-F37 HydrophobicContact CB-CE2 4.24Å; V12-F37 HydrophobicContact CG1-CE2 4.35Å; V12-F37 WeakPolarHBondContact O-CE2 3.47Å; L14-F37 HydrophobicContact CB-CD1 4.23Å; L14-F37 HydrophobicContact CB-CE1 3.72Å; L14-F37 HydrophobicContact CB-CE2 4.23Å; L14-F37 HydrophobicContact CB-CZ 3.71Å; L14-F37 HydrophobicContact CD2-CD1 3.86Å; L14-F37 HydrophobicContact CD2-CE1 3.93Å; R24-F37 HydrophobicContact CB-CE1 4.35Å; T27-F37 WeakPolarHBondContact O-CA 3.49Å; L28-F37 HydrophobicContact CD1-CB 4.31Å; F37-E47 CarbonylContact O-C 3.6Å; F37-E47 VanDerWaalsContact O-CA 3.3Å; F37-E47 WeakPolarHBondContact O-CA 3.33Å; F37-T48 PolarHBondContact N-O 3.02Å; F37-T48 PolarHBondContact O-N 3.09Å; F37-F82 HydrophobicContact CB-CE1 4Å; F37-F82 HydrophobicContact CB-CZ 4.14Å; F37-F82 HydrophobicContact CD2-CD1 4.36Å; F37-F82 AromaticContact CD2-CE1 3.67Å; F37-F82 HydrophobicContact CD2-CE1 3.67Å; F37-F82 HydrophobicContact CE2-CE1 4.28Å; F37-F82 AromaticContact CG-CE1 3.84Å; F37-F82 HydrophobicContact CG-CE1 3.84Å; F37-F82 HydrophobicContact CG-CZ 4.45Å
38V92.9Very high84.1Confident19 Ų1954.8 Ų54.812%0.11534%0.336CS..EExtended strand (participates in β ladder)trans-113.5120.2179.6-174.70000108.8G26 T27 Y29 I36 R45 E47G26-V38 CarbonylContact C-O 3.45Å; G26-V38 WeakPolarHBondContact CA-O 3.5Å; T27-V38 PolarHBondContact N-O 3.03Å; T27-V38 PolarHBondContact O-N 3.3Å; Y29-V38 HydrophobicContact CD2-CG2 3.99Å; Y29-V38 HydrophobicContact CE2-CB 4.26Å; Y29-V38 HydrophobicContact CE2-CG2 3.84Å; I36-V38 HydrophobicContact CG2-CG2 4Å; V38-R45 HydrophobicContact CG1-CG 4.09Å; V38-E47 HydrophobicContact CG1-CG 4.36Å; V38-E47 HydrophobicContact CG2-CG 4.13Å
39E90.4Very high83.9Confident46 Ų4661.2 Ų61.222%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-73144.9179.1-179.5165.9-124.500112.5R24 S46R24-E39 VanDerWaalsContact CB-OE1 3.24Å; R24-E39 WeakPolarHBondContact CB-OE1 3.44Å; R24-E39 WeakPolarHBondContact CG-OE1 3.36Å; R24-E39 IonicContact CZ-OE1 2.7Å; R24-E39 IonicContact CZ-OE2 3.5Å; R24-E39 IonicContact NE-OE1 3.21Å; R24-E39 PolarHBondContact NE-OE1 2.77Å; R24-E39 IonicContact NE-OE2 2.67Å; R24-E39 PolarHBondContact NE-OE2 2.93Å; R24-E39 VanDerWaalsContact NH2-CD 3.34Å; R24-E39 IonicContact NH2-OE1 2.76Å; R24-E39 IonicContact NH2-OE2 2.87Å; R24-E39 PolarHBondContact NH2-OE2 3.01Å; E39-S46 PolarHBondContact N-O 3.01Å
40S82.1Confident83.9Confident81 Ų8157.4 Ų57.457%0.56635%0.345SS*.  trans-98.9-14-174.9-62.20000115.3V25V25-S40 PolarHBondContact O-N 2.95Å
41E73.5Confident83.9Confident138 Ų13857.9 Ų57.965%0.64535%0.348SS*.SBendtrans-98.7161.9-172-71.1-166.9153.900114.6
42A54.7Low83.9Confident111 Ų11155.7 Ų55.792%0.91733%0.334SS*.THydrogen-bonded Turntrans-79.2141.5-14700000116.6
43G55.8Low84.2Confident93 Ų9353.5 Ų53.596%0.95932%0.315SS*.THydrogen-bonded Turntrans132.3-34.2166.500000113.9
44G59.7Low84.6Confident50 Ų5052.3 Ų52.352%0.51531%0.307SS..SBendtrans-170.1144.1176.300000111.7S46G44-S46 PolarHBondContact O-N 3.36Å
45R71.4Confident84.7Confident195 Ų19551.3 Ų51.374%0.73630%0.303SS*.  trans-73.590.9179.1-179.7174.2166.1167.3-5.9109.8V38 E47V38-R45 HydrophobicContact CG1-CG 4.09Å; R45-E47 HydrophobicContact CG-CG 4.24Å; R45-E47 IonicContact CZ-OE1 3.54Å; R45-E47 IonicContact NE-OE1 3.8Å; R45-E47 PolarHBondContact NE-OE1 2.9Å; R45-E47 IonicContact NH2-OE1 2.71Å; R45-E47 PolarHBondContact NH2-OE1 3.5Å
46S82.9Confident84.5Confident39 Ų3954.5 Ų54.527%0.27332%0.324SS..  trans-85.5124.4175-173.50000110.7R24 E39 G44R24-S46 PolarHBondContact NH2-OG 3.32Å; E39-S46 PolarHBondContact N-O 3.01Å; G44-S46 PolarHBondContact O-N 3.36Å
47E90.5Very high84.4Confident60 Ų6055 Ų5528%0.2833%0.33SS..EExtended strand (participates in β ladder)trans-114.6147.7177.6-53.7-167.6155.100110.9F37 V38 R45 W49F37-E47 CarbonylContact O-C 3.6Å; F37-E47 VanDerWaalsContact O-CA 3.3Å; F37-E47 WeakPolarHBondContact O-CA 3.33Å; V38-E47 HydrophobicContact CG1-CG 4.36Å; V38-E47 HydrophobicContact CG2-CG 4.13Å; R45-E47 HydrophobicContact CG-CG 4.24Å; R45-E47 IonicContact CZ-OE1 3.54Å; R45-E47 IonicContact NE-OE1 3.8Å; R45-E47 PolarHBondContact NE-OE1 2.9Å; R45-E47 IonicContact NH2-OE1 2.71Å; R45-E47 PolarHBondContact NH2-OE1 3.5Å; E47-W49 PolarHBondContact OE2-NE1 3.37Å
48T90.3Very high84.4Confident23 Ų2355.7 Ų55.714%0.14133%0.334CS..EExtended strand (participates in β ladder)trans-126.7112174-57.70000108.3F37 L80F37-T48 PolarHBondContact N-O 3.02Å; F37-T48 PolarHBondContact O-N 3.09Å; T48-L80 HydrophobicContact CG2-CD1 4.41Å; T48-L80 HydrophobicContact CG2-CD2 4.39Å
49W92.4Very high84.4Confident137 Ų13757.7 Ų57.752%0.51934%0.344SS..EExtended strand (participates in β ladder)trans-103.3133.6-174.7-69.459.6000109.9H34 S35 I36 E47H34-W49 HydrophobicContact CB-CE3 4.47Å; H34-W49 AromaticContact CD2-CE3 3.8Å; S35-W49 WeakPolarHBondContact O-CA 3.43Å; I36-W49 HydrophobicContact CD1-CD2 4.1Å; I36-W49 HydrophobicContact CD1-CE3 3.92Å; I36-W49 HydrophobicContact CD1-CH2 3.67Å; I36-W49 HydrophobicContact CD1-CZ2 3.85Å; I36-W49 HydrophobicContact CD1-CZ3 3.71Å; I36-W49 HydrophobicContact CG1-CD2 3.9Å; I36-W49 HydrophobicContact CG1-CE3 3.96Å; I36-W49 HydrophobicContact CG1-CG 4.38Å; I36-W49 HydrophobicContact CG1-CZ2 4.47Å; I36-W49 HydrophobicContact CG1-CZ3 4.27Å; I36-W49 HydrophobicContact CG2-CD2 4.29Å; I36-W49 HydrophobicContact CG2-CG 4.36Å; I36-W49 HydrophobicContact CG2-CZ2 4.42Å; E47-W49 PolarHBondContact OE2-NE1 3.37Å
50V93.2Very high84.5Confident5 Ų558.1 Ų58.13%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-133120.1173.5175.30000109.8H34 S35 V55 L80H34-V50 CarbonylContact C-O 3.56Å; H34-V50 VanDerWaalsContact CA-O 3.25Å; H34-V50 WeakPolarHBondContact CA-O 3.25Å; S35-V50 PolarHBondContact N-O 3.46Å; S35-V50 PolarHBondContact O-N 2.91Å; V50-V55 HydrophobicContact CG1-CG2 3.91Å; V50-L80 HydrophobicContact CG2-CD1 3.48Å; V50-L80 VanDerWaalsContact CG2-CD1 3.48Å
51L93.3Very high84.9Confident19 Ų1959 Ų5910%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-66134.4170.4-79.4157.3000111T33 H34 S53 L54 Y110T33-L51 WeakPolarHBondContact O-CA 3.36Å; H34-L51 WeakPolarHBondContact NE2-CD2 3.46Å; L51-S53 VanDerWaalsContact C-N 3.25Å; L51-S53 PolarHBondContact O-N 3.26Å; L51-L54 HydrophobicContact CB-CB 4.27Å; L51-L54 HydrophobicContact CB-CD1 4.04Å; L51-L54 HydrophobicContact CB-CG 3.99Å; L51-L54 HydrophobicContact CD1-CD1 4.08Å; L51-L54 HydrophobicContact CD1-CG 4.44Å; L51-L54 WeakPolarHBondContact O-CB 3.37Å; L51-L54 PolarHBondContact O-N 2.87Å; L51-Y110 HydrophobicContact CD1-CE1 4.49Å; L51-Y110 HydrophobicContact CD2-CD1 3.36Å; L51-Y110 HydrophobicContact CD2-CD2 4.43Å; L51-Y110 HydrophobicContact CD2-CE1 3.44Å; L51-Y110 VanDerWaalsContact CD2-CE1 3.44Å; L51-Y110 HydrophobicContact CD2-CG 3.91Å
52H92.6Very high85.5Confident4 Ų456.6 Ų56.62%0.01934%0.344CS..G310 helixtrans-63.1-31.9177.6-61.7152.6000112.9T31 A32 T33 H34 S35 L54 V55 L100 S101T31-H52 PolarHBondContact O-CE1 3.37Å; T31-H52 VanDerWaalsContact O-CE1 3.29Å; A32-H52 PolarHBondContact O-ND1 2.9Å; T33-H52 PolarHBondContact O-N 2.89Å; H34-H52 VanDerWaalsContact C-NE2 3.26Å; S35-H52 PolarHBondContact N-NE2 2.64Å; S35-H52 PolarHBondContact OG-NE2 3.49Å; H52-L54 PolarHBondContact O-N 3.43Å; H52-V55 WeakPolarHBondContact O-CB 3.25Å; H52-V55 PolarHBondContact O-N 3.42Å; H52-V55 VanDerWaalsContact O-N 3.09Å; H52-L100 HydrophobicContact CB-CB 4.18Å; H52-L100 WeakPolarHBondContact CB-O 3.46Å; H52-S101 WeakPolarHBondContact O-CA 3.24Å; H52-S101 WeakPolarHBondContact O-CB 3.42Å
53S91.4Very high87.1Confident12 Ų1254.1 Ų54.18%0.08432%0.324CS..G310 helixtrans-63.3-26.317346.90000114.1L51 K75 S432L51-S53 VanDerWaalsContact C-N 3.25Å; L51-S53 PolarHBondContact O-N 3.26Å; S53-K75 WeakPolarHBondContact O-CE 3.24Å; S53-K75 PolarHBondContact O-NZ 3.03Å; S53-S432 VanDerWaalsContact CB-O 3.29Å; S53-S432 WeakPolarHBondContact CB-O 3.31Å; S53-S432 PolarHBondContact OG-O 2.77Å
54L93.8Very high88.4Confident15 Ų1552.2 Ų52.28%0.07930%0.296CS..G310 helixtrans-80.7-17.2174-71.1177.6000112.8L51 H52 C56 C74 K75 N76L51-L54 HydrophobicContact CB-CB 4.27Å; L51-L54 HydrophobicContact CB-CD1 4.04Å; L51-L54 HydrophobicContact CB-CG 3.99Å; L51-L54 HydrophobicContact CD1-CD1 4.08Å; L51-L54 HydrophobicContact CD1-CG 4.44Å; L51-L54 WeakPolarHBondContact O-CB 3.37Å; L51-L54 PolarHBondContact O-N 2.87Å; H52-L54 PolarHBondContact O-N 3.43Å; L54-C56 PolarHBondContact O-N 2.97Å; L54-C74 CarbonylContact O-C 3.51Å; L54-C74 WeakPolarHBondContact O-CA 3.26Å; L54-C74 WeakPolarHBondContact O-CB 3.42Å; L54-K75 WeakPolarHBondContact O-CG 3.46Å; L54-K75 PolarHBondContact O-N 2.84Å; L54-N76 HydrophobicContact CD2-CB 4.35Å
55V94.1Very high89.3Confident3 Ų355.7 Ų55.72%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-69.8131.2179.6175.90000109.8V50 H52 V58 I72V50-V55 HydrophobicContact CG1-CG2 3.91Å; H52-V55 WeakPolarHBondContact O-CB 3.25Å; H52-V55 PolarHBondContact O-N 3.42Å; H52-V55 VanDerWaalsContact O-N 3.09Å; V55-V58 HydrophobicContact CG1-CG2 3.45Å; V55-V58 VanDerWaalsContact CG1-CG2 3.45Å; V55-I72 HydrophobicContact CB-CG2 4.48Å; V55-I72 HydrophobicContact CG1-CG2 3.97Å; V55-I72 HydrophobicContact CG2-CG2 3.85Å
56C90.9Very high89.7Confident72 Ų7249 Ų4949%0.48630%0.303SS..EExtended strand (participates in β ladder)trans-105.5-49178.7-169.90000111.5L54 R73 K75L54-C56 PolarHBondContact O-N 2.97Å; C56-R73 WeakPolarHBondContact CA-O 3.47Å; C56-R73 WeakPolarHBondContact CB-O 3.3Å; C56-R73 PolarHBondContact N-O 3.21Å; C56-K75 HydrophobicContact CB-CG 3.9Å
57S91.9Very high89.9Confident33 Ų3347.7 Ų47.723%0.23130%0.295CS..EExtended strand (participates in β ladder)trans-135.6156.6172.379.20000111.4D59 R73S57-D59 PolarHBondContact OG-OD2 3.47Å; S57-R73 PolarHBondContact N-O 2.93Å; S57-R73 PolarHBondContact O-N 3.37Å
58V94.4Very high90Very high15 Ų1544.9 Ų44.99%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-136.5101.9175.1-174.70000107.4V55 L70 L71 I72 H94 L97V55-V58 HydrophobicContact CG1-CG2 3.45Å; V55-V58 VanDerWaalsContact CG1-CG2 3.45Å; V58-L70 HydrophobicContact CG1-CD1 3.71Å; V58-L70 HydrophobicContact CG1-CG 4.24Å; V58-L71 CarbonylContact C-O 3.55Å; V58-L71 WeakPolarHBondContact CA-O 3.41Å; V58-I72 HydrophobicContact CG1-CG1 4.45Å; V58-H94 PolarHBondContact O-CE1 2.89Å; V58-H94 PolarHBondContact O-ND1 3.21Å; V58-L97 HydrophobicContact CG1-CB 4.29Å; V58-L97 HydrophobicContact CG1-CD1 4.16Å; V58-L97 HydrophobicContact CG2-CB 4Å
59D93.3Very high90.1Very high60 Ų6045 Ų4532%0.32128%0.283SS..EExtended strand (participates in β ladder)trans-108.4107.7-170.1-52.2-55.7000109.6S57 L71 R73S57-D59 PolarHBondContact OG-OD2 3.47Å; D59-L71 HydrophobicContact CB-CB 4.27Å; D59-L71 PolarHBondContact N-O 2.96Å; D59-L71 PolarHBondContact O-N 3.35Å; D59-R73 IonicContact OD2-NH1 3.73Å; D59-R73 PolarHBondContact OD2-NH1 3.49Å
60K92.9Very high90.2Very high55 Ų5538.5 Ų38.524%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-80.5130.3171.9171.6178.3160.31760109.3C68 L70 E87K60-C68 VanDerWaalsContact CE-SG 3.59Å; K60-L70 HydrophobicContact CB-CD1 4.21Å; K60-E87 IonicContact NZ-OE1 2.75Å; K60-E87 PolarHBondContact NZ-OE1 3.14Å
61Q89.4Confident90.2Very high100 Ų10038.7 Ų38.747%0.46726%0.259SS..PPolyproline II helixtrans-104165.7175-59-176.5-8.800111.4C68 P69Q61-C68 PolarHBondContact O-SG 3.24Å; Q61-C68 VanDerWaalsContact O-SG 3.38Å; Q61-P69 HydrophobicContact CB-CB 4.03Å; Q61-P69 HydrophobicContact CB-CG 4.05Å; Q61-P69 HydrophobicContact CG-CB 4.48Å; Q61-P69 PolarHBondContact N-O 2.95Å
62A87.6Confident90.3Very high88 Ų8837.8 Ų37.873%0.72726%0.255SS*.PPolyproline II helixtrans-56.9143.6177.400000111.8P69A62-P69 VanDerWaalsContact O-CD 3.23Å; A62-P69 WeakPolarHBondContact O-CD 3.47Å
63A86.9Confident90.3Very high58 Ų5841.1 Ų41.148%0.47927%0.267SS..PPolyproline II helixtrans-61138178.900000111.6
64S82.7Confident90.5Very high54 Ų5440.9 Ų40.938%0.37827%0.266SS..BIsolated β-bridgetrans-118.9167.5177.576.80000110.6S66 G67S64-S66 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact OG-N 2.84Å; S64-S66 VanDerWaalsContact OG-N 3.1Å; S64-S66 PolarHBondContact OG-OG 2.92Å; S64-G67 PolarHBondContact N-O 3.21Å; S64-G67 PolarHBondContact O-N 3.39Å; S64-G67 PolarHBondContact OG-O 2.98Å
65A79.8Confident90.4Very high122 Ų12241.2 Ų41.2100%1.00827%0.266SS*.THydrogen-bonded Turntrans-58.2-13.8170.100000113.8
66S78.4Confident90.3Very high56 Ų5641.4 Ų41.439%0.39227%0.267SS..THydrogen-bonded Turntrans-97.63176.3780000114.3R13 S64 S83R13-S66 PolarHBondContact NH2-O 2.83Å; S64-S66 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact OG-N 2.84Å; S64-S66 VanDerWaalsContact OG-N 3.1Å; S64-S66 PolarHBondContact OG-OG 2.92Å; S66-S83 PolarHBondContact O-OG 2.93Å
67G88Confident90.3Very high10 Ų1039.1 Ų39.110%0.10325%0.249CC..BIsolated β-bridgetrans111.2-178.9-171.400000112.6S64 I84S64-G67 PolarHBondContact N-O 3.21Å; S64-G67 PolarHBondContact O-N 3.39Å; S64-G67 PolarHBondContact OG-O 2.98Å; G67-I84 WeakPolarHBondContact CA-O 3.26Å
68C92.7Very high90.3Very high1 Ų138.6 Ų38.61%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-91.1116.9177.6-175.10000110K60 Q61 I84 C90K60-C68 VanDerWaalsContact CE-SG 3.59Å; Q61-C68 PolarHBondContact O-SG 3.24Å; Q61-C68 VanDerWaalsContact O-SG 3.38Å; C68-I84 PolarHBondContact N-O 3.24Å; C68-I84 PolarHBondContact O-N 3.48Å; C68-C90 HydrophobicContact CB-CB 3.78Å; C68-C90 PolarHBondContact SG-SG 2.88Å
69P92.8Very high90.1Very high26 Ų2639.7 Ų39.717%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-74.6136.6-179.5-1025.9000111.8Q61 A62 F82Q61-P69 HydrophobicContact CB-CB 4.03Å; Q61-P69 HydrophobicContact CB-CG 4.05Å; Q61-P69 HydrophobicContact CG-CB 4.48Å; Q61-P69 PolarHBondContact N-O 2.95Å; A62-P69 VanDerWaalsContact O-CD 3.23Å; A62-P69 WeakPolarHBondContact O-CD 3.47Å; P69-F82 CarbonylContact C-O 3.45Å; P69-F82 WeakPolarHBondContact CA-O 3.49Å
70L94.3Very high90Very high1 Ų137.5 Ų37.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-127.9116.6175.6-173.973.3000108.7V58 K60 F82 I84 V93 H94 L97V58-L70 HydrophobicContact CG1-CD1 3.71Å; V58-L70 HydrophobicContact CG1-CG 4.24Å; K60-L70 HydrophobicContact CB-CD1 4.21Å; L70-F82 HydrophobicContact CB-CB 4.38Å; L70-F82 PolarHBondContact N-O 2.96Å; L70-F82 PolarHBondContact O-N 3Å; L70-I84 HydrophobicContact CB-CD1 4.37Å; L70-I84 HydrophobicContact CD2-CD1 3.91Å; L70-V93 HydrophobicContact CD2-CG1 3.56Å; L70-H94 HydrophobicContact CD1-CB 3.91Å; L70-L97 HydrophobicContact CD2-CD1 4.18Å
71L93.5Very high90Very high8 Ų837.4 Ų37.44%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-102.3123.6179.9177.653.7000109.8V58 D59 I79 L80 H81V58-L71 CarbonylContact C-O 3.55Å; V58-L71 WeakPolarHBondContact CA-O 3.41Å; D59-L71 HydrophobicContact CB-CB 4.27Å; D59-L71 PolarHBondContact N-O 2.96Å; D59-L71 PolarHBondContact O-N 3.35Å; L71-I79 HydrophobicContact CD1-CG2 3.41Å; L71-I79 VanDerWaalsContact CD1-CG2 3.41Å; L71-L80 WeakPolarHBondContact CA-O 3.26Å; L71-H81 VanDerWaalsContact CD1-CE1 3.42Å; L71-H81 WeakPolarHBondContact CD1-CE1 3.41Å
72I94.5Very high90.1Very high1 Ų132.8 Ų32.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-111.8118.2175-54.5-177.6000108V55 V58 I79 L80 F82 L97V55-I72 HydrophobicContact CB-CG2 4.48Å; V55-I72 HydrophobicContact CG1-CG2 3.97Å; V55-I72 HydrophobicContact CG2-CG2 3.85Å; V58-I72 HydrophobicContact CG1-CG1 4.45Å; I72-I79 WeakPolarHBondContact O-CA 3.47Å; I72-L80 HydrophobicContact CB-CB 4.42Å; I72-L80 PolarHBondContact N-O 3.48Å; I72-L80 PolarHBondContact O-N 2.97Å; I72-F82 HydrophobicContact CD1-CD2 4.08Å; I72-F82 HydrophobicContact CD1-CE2 3.93Å; I72-F82 HydrophobicContact CG1-CD2 4.49Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å; I72-L97 HydrophobicContact CG1-CD1 4.46Å
73R93.7Very high90.4Very high73 Ų7328.7 Ų28.728%0.27518%0.181SC..EExtended strand (participates in β ladder)trans-101.8133.6171-66-173.2170.191.7-5.6109.8C56 S57 D59 I79 E291C56-R73 WeakPolarHBondContact CA-O 3.47Å; C56-R73 WeakPolarHBondContact CB-O 3.3Å; C56-R73 PolarHBondContact N-O 3.21Å; S57-R73 PolarHBondContact N-O 2.93Å; S57-R73 PolarHBondContact O-N 3.37Å; D59-R73 IonicContact OD2-NH1 3.73Å; D59-R73 PolarHBondContact OD2-NH1 3.49Å; R73-I79 HydrophobicContact CG-CG1 4.42Å; R73-I79 HydrophobicContact CG-CG2 4.5Å; R73-E291 IonicContact CZ-OE1 2.8Å; R73-E291 IonicContact CZ-OE2 3.39Å; R73-E291 IonicContact NE-OE1 3.42Å; R73-E291 PolarHBondContact NE-OE1 2.9Å; R73-E291 IonicContact NE-OE2 3.06Å; R73-E291 IonicContact NH2-OE1 2.73Å; R73-E291 IonicContact NH2-OE2 2.7Å; R73-E291 PolarHBondContact NH2-OE2 3.41Å
74C94.1Very high90.8Very high8 Ų826 Ų265%0.05416%0.158CC..EExtended strand (participates in β ladder)trans-112.7148.2-178.4-55.80000111.8L54 N76 F77 Q78L54-C74 CarbonylContact O-C 3.51Å; L54-C74 WeakPolarHBondContact O-CA 3.26Å; L54-C74 WeakPolarHBondContact O-CB 3.42Å; C74-N76 WeakPolarHBondContact CB-OD1 3.37Å; C74-N76 PolarHBondContact O-N 2.87Å; C74-N76 VanDerWaalsContact O-N 3.11Å; C74-F77 WeakPolarHBondContact O-CA 3.4Å; C74-F77 PolarHBondContact O-N 2.88Å; C74-Q78 HydrophobicContact CB-CB 4Å; C74-Q78 VanDerWaalsContact CB-O 3.29Å; C74-Q78 WeakPolarHBondContact CB-O 3.27Å; C74-Q78 PolarHBondContact N-O 3.11Å
75K92.4Very high91.2Very high21 Ų2126.5 Ų26.59%0.09116%0.161CC..THydrogen-bonded Turntrans-61-17.3177.2-59.1172.6-169.5168.60113.5S53 L54 C56 F77 N385 Y431S53-K75 WeakPolarHBondContact O-CE 3.24Å; S53-K75 PolarHBondContact O-NZ 3.03Å; L54-K75 WeakPolarHBondContact O-CG 3.46Å; L54-K75 PolarHBondContact O-N 2.84Å; C56-K75 HydrophobicContact CB-CG 3.9Å; K75-F77 VanDerWaalsContact C-N 3.29Å; K75-N385 PolarHBondContact NZ-O 2.67Å; K75-Y431 HydrophobicContact CB-CD1 3.75Å; K75-Y431 HydrophobicContact CB-CE1 4.46Å; K75-Y431 HydrophobicContact CB-CG 3.82Å; K75-Y431 HydrophobicContact CD-CD1 3.9Å; K75-Y431 HydrophobicContact CD-CG 4.49Å; K75-Y431 HydrophobicContact CG-CD1 4.31Å
76N91.4Very high91.8Very high8 Ų828.2 Ų28.24%0.04314%0.141CC..THydrogen-bonded Turntrans-9114.6173.672.6-12.5000113.3L54 C74 Q78 F509L54-N76 HydrophobicContact CD2-CB 4.35Å; C74-N76 WeakPolarHBondContact CB-OD1 3.37Å; C74-N76 PolarHBondContact O-N 2.87Å; C74-N76 VanDerWaalsContact O-N 3.11Å; N76-Q78 PolarHBondContact O-N 3.29Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.46Å; N76-Q78 PolarHBondContact OD1-N 3.22Å; N76-Q78 VanDerWaalsContact OD1-N 3.07Å; N76-F509 WeakPolarHBondContact O-CE2 3.19Å
77F92.1Very high92.4Very high23 Ų2330.4 Ų30.410%0.10115%0.145CC..SBendtrans66.910.4-176.1-37.9-57.7000115.3C74 K75 L287 H427 L505 Y506C74-F77 WeakPolarHBondContact O-CA 3.4Å; C74-F77 PolarHBondContact O-N 2.88Å; K75-F77 VanDerWaalsContact C-N 3.29Å; F77-L287 HydrophobicContact CB-CD2 4.47Å; F77-L287 HydrophobicContact CD1-CD1 3.93Å; F77-L287 HydrophobicContact CD1-CD2 3.52Å; F77-L287 HydrophobicContact CD1-CG 4.39Å; F77-L287 HydrophobicContact CE1-CD1 4.04Å; F77-L287 HydrophobicContact CE1-CD2 4.06Å; F77-L287 HydrophobicContact CG-CD2 4.09Å; F77-H427 AromaticContact CE2-CE1 3.34Å; F77-H427 WeakPolarHBondContact CE2-CE1 3.4Å; F77-H427 AromaticContact CE2-NE2 3.34Å; F77-H427 VanDerWaalsContact CE2-NE2 3.34Å; F77-H427 WeakPolarHBondContact CE2-NE2 3.39Å; F77-H427 AromaticContact CZ-CE1 3.75Å; F77-H427 AromaticContact CZ-NE2 3.5Å; F77-H427 WeakPolarHBondContact CZ-NE2 3.43Å; F77-L505 HydrophobicContact CD2-CD1 4.16Å; F77-L505 HydrophobicContact CD2-CG 4Å; F77-L505 HydrophobicContact CE2-CD1 3.96Å; F77-L505 HydrophobicContact CE2-CD2 3.96Å; F77-L505 HydrophobicContact CE2-CG 3.72Å; F77-Y506 HydrophobicContact CD1-CD1 4.37Å; F77-Y506 AromaticContact CD2-CD1 3.62Å; F77-Y506 HydrophobicContact CD2-CD1 3.62Å; F77-Y506 AromaticContact CD2-CE1 3.97Å; F77-Y506 HydrophobicContact CD2-CE1 3.97Å; F77-Y506 HydrophobicContact CE1-CD1 4.42Å; F77-Y506 HydrophobicContact CE1-CE1 4.22Å; F77-Y506 AromaticContact CE2-CD1 3.67Å; F77-Y506 HydrophobicContact CE2-CD1 3.67Å; F77-Y506 AromaticContact CE2-CE1 3.5Å; F77-Y506 HydrophobicContact CE2-CE1 3.5Å; F77-Y506 VanDerWaalsContact CE2-CE1 3.5Å; F77-Y506 HydrophobicContact CG-CD1 4Å; F77-Y506 HydrophobicContact CZ-CD1 4.1Å; F77-Y506 AromaticContact CZ-CE1 3.66Å; F77-Y506 HydrophobicContact CZ-CE1 3.66Å
78Q90.8Very high92.6Very high23 Ų2335.7 Ų35.711%0.10717%0.167CC..  trans-73.2131.8169.2-163.9174.65.600110.8C74 N76 L80 F509C74-Q78 HydrophobicContact CB-CB 4Å; C74-Q78 VanDerWaalsContact CB-O 3.29Å; C74-Q78 WeakPolarHBondContact CB-O 3.27Å; C74-Q78 PolarHBondContact N-O 3.11Å; N76-Q78 PolarHBondContact O-N 3.29Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.46Å; N76-Q78 PolarHBondContact OD1-N 3.22Å; N76-Q78 VanDerWaalsContact OD1-N 3.07Å; Q78-L80 HydrophobicContact CG-CD2 4.39Å; Q78-L80 HydrophobicContact CG-CG 4.44Å; Q78-F509 HydrophobicContact CB-CD1 4.48Å; Q78-F509 HydrophobicContact CB-CD2 3.61Å; Q78-F509 HydrophobicContact CB-CE1 4.39Å; Q78-F509 HydrophobicContact CB-CE2 3.48Å; Q78-F509 VanDerWaalsContact CB-CE2 3.48Å; Q78-F509 HydrophobicContact CB-CG 4.11Å; Q78-F509 HydrophobicContact CB-CZ 3.89Å; Q78-F509 HydrophobicContact CG-CB 4.43Å; Q78-F509 HydrophobicContact CG-CD1 3.98Å; Q78-F509 HydrophobicContact CG-CD2 3.89Å; Q78-F509 HydrophobicContact CG-CE1 4.13Å; Q78-F509 HydrophobicContact CG-CE2 4.04Å; Q78-F509 HydrophobicContact CG-CG 3.84Å; Q78-F509 HydrophobicContact CG-CZ 4.14Å
79I90.7Very high92.7Very high38 Ų3836.4 Ų36.420%0.19517%0.171CC..EExtended strand (participates in β ladder)trans-123.3127.1176.3-56.7175.8000108.5L71 I72 R73 E291L71-I79 HydrophobicContact CD1-CG2 3.41Å; L71-I79 VanDerWaalsContact CD1-CG2 3.41Å; I72-I79 WeakPolarHBondContact O-CA 3.47Å; R73-I79 HydrophobicContact CG-CG1 4.42Å; R73-I79 HydrophobicContact CG-CG2 4.5Å; I79-E291 HydrophobicContact CD1-CG 3.43Å; I79-E291 VanDerWaalsContact CD1-CG 3.43Å; I79-E291 VanDerWaalsContact CD1-OE1 3.28Å; I79-E291 WeakPolarHBondContact CD1-OE1 3.48Å
80L91.6Very high92.8Very high14 Ų1435.1 Ų35.17%0.07316%0.162CC..EExtended strand (participates in β ladder)trans-121124.3179.4-62.7-179.3000110.7L14 T48 V50 L71 I72 Q78 F82L14-L80 HydrophobicContact CD1-CB 4.38Å; L14-L80 HydrophobicContact CD1-CD2 4.06Å; T48-L80 HydrophobicContact CG2-CD1 4.41Å; T48-L80 HydrophobicContact CG2-CD2 4.39Å; V50-L80 HydrophobicContact CG2-CD1 3.48Å; V50-L80 VanDerWaalsContact CG2-CD1 3.48Å; L71-L80 WeakPolarHBondContact CA-O 3.26Å; I72-L80 HydrophobicContact CB-CB 4.42Å; I72-L80 PolarHBondContact N-O 3.48Å; I72-L80 PolarHBondContact O-N 2.97Å; Q78-L80 HydrophobicContact CG-CD2 4.39Å; Q78-L80 HydrophobicContact CG-CG 4.44Å; L80-F82 HydrophobicContact CB-CD2 4.32Å; L80-F82 HydrophobicContact CB-CE2 3.81Å; L80-F82 HydrophobicContact CB-CZ 4.33Å; L80-F82 HydrophobicContact CD1-CE2 3.89Å; L80-F82 HydrophobicContact CD1-CZ 3.96Å
81H91.8Very high92.7Very high52 Ų5237.8 Ų37.824%0.24118%0.175CC..EExtended strand (participates in β ladder)trans-103.5101.2175-67.7-99.1000109.4L15 L71L15-H81 HydrophobicContact CB-CB 3.98Å; L15-H81 PolarHBondContact N-O 3.37Å; L71-H81 VanDerWaalsContact CD1-CE1 3.42Å; L71-H81 WeakPolarHBondContact CD1-CE1 3.41Å
82F93.1Very high92.8Very high4 Ų438.8 Ų38.82%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-93.1147.1170.8-65.9-69.8000110.6V12 R13 L14 L28 F37 P69 L70 I72 L80V12-F82 HydrophobicContact CG1-CB 4.05Å; V12-F82 HydrophobicContact CG1-CD1 3.65Å; V12-F82 HydrophobicContact CG1-CG 4.19Å; R13-F82 CarbonylContact O-C 3.57Å; R13-F82 VanDerWaalsContact O-CA 3.32Å; R13-F82 WeakPolarHBondContact O-CA 3.48Å; L14-F82 HydrophobicContact CB-CD1 4.13Å; L14-F82 HydrophobicContact CB-CE1 3.99Å; L14-F82 HydrophobicContact CD1-CD1 4.08Å; L14-F82 HydrophobicContact CD1-CE1 3.8Å; L14-F82 HydrophobicContact CD1-CZ 4.21Å; L14-F82 HydrophobicContact CG-CE1 4.32Å; L28-F82 HydrophobicContact CD1-CZ 4.27Å; F37-F82 HydrophobicContact CB-CE1 4Å; F37-F82 HydrophobicContact CB-CZ 4.14Å; F37-F82 HydrophobicContact CD2-CD1 4.36Å; F37-F82 AromaticContact CD2-CE1 3.67Å; F37-F82 HydrophobicContact CD2-CE1 3.67Å; F37-F82 HydrophobicContact CE2-CE1 4.28Å; F37-F82 AromaticContact CG-CE1 3.84Å; F37-F82 HydrophobicContact CG-CE1 3.84Å; F37-F82 HydrophobicContact CG-CZ 4.45Å; P69-F82 CarbonylContact C-O 3.45Å; P69-F82 WeakPolarHBondContact CA-O 3.49Å; L70-F82 HydrophobicContact CB-CB 4.38Å; L70-F82 PolarHBondContact N-O 2.96Å; L70-F82 PolarHBondContact O-N 3Å; I72-F82 HydrophobicContact CD1-CD2 4.08Å; I72-F82 HydrophobicContact CD1-CE2 3.93Å; I72-F82 HydrophobicContact CG1-CD2 4.49Å; L80-F82 HydrophobicContact CB-CD2 4.32Å; L80-F82 HydrophobicContact CB-CE2 3.81Å; L80-F82 HydrophobicContact CB-CZ 4.33Å; L80-F82 HydrophobicContact CD1-CE2 3.89Å; L80-F82 HydrophobicContact CD1-CZ 3.96Å
83S93.7Very high92.8Very high2 Ų238.7 Ų38.71%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-119.1115.9160.6-176.10000108.4R13 S66R13-S83 PolarHBondContact N-O 3.34Å; R13-S83 PolarHBondContact O-N 2.95Å; S66-S83 PolarHBondContact O-OG 2.93Å
84I94.1Very high92.9Very high0 Ų036.7 Ų36.70%017%0.173CC..EExtended strand (participates in β ladder)trans-97.8129.3-176.2-67.5173.2000108.6V9 V12 G67 C68 L70 R86 D89 C90 V93V9-I84 HydrophobicContact CG1-CG2 3.96Å; V12-I84 HydrophobicContact CG1-CG1 4.12Å; V12-I84 HydrophobicContact CG2-CG1 4.22Å; G67-I84 WeakPolarHBondContact CA-O 3.26Å; C68-I84 PolarHBondContact N-O 3.24Å; C68-I84 PolarHBondContact O-N 3.48Å; L70-I84 HydrophobicContact CB-CD1 4.37Å; L70-I84 HydrophobicContact CD2-CD1 3.91Å; I84-R86 PolarHBondContact O-N 2.83Å; I84-D89 HydrophobicContact CG2-CB 3.78Å; I84-C90 HydrophobicContact CB-CB 3.92Å; I84-C90 HydrophobicContact CD1-CB 4.14Å; I84-C90 HydrophobicContact CG2-CB 3.94Å; I84-V93 HydrophobicContact CD1-CB 4.17Å; I84-V93 HydrophobicContact CD1-CG1 4.09Å; I84-V93 HydrophobicContact CD1-CG2 4.32Å
85P92.2Very high92.9Very high66 Ų6638.7 Ų38.743%0.42918%0.183SC..SBendtrans-60.6-40-171.6-27.635.2000115.3N11N11-P85 HydrophobicContact CB-CG 4.17Å; N11-P85 WeakPolarHBondContact O-CG 3.4Å
86R92.5Very high93Very high158 Ų15837.7 Ų37.760%0.59618%0.179SC*.SBendtrans-106.1134-177.9-62.9-175.1-66.4-176.13.5110.2I84 Q88 D89 C90I84-R86 PolarHBondContact O-N 2.83Å; R86-Q88 VanDerWaalsContact C-N 3.32Å; R86-Q88 PolarHBondContact O-N 2.92Å; R86-D89 HydrophobicContact CB-CB 4.15Å; R86-D89 IonicContact CZ-OD1 3.21Å; R86-D89 VanDerWaalsContact CZ-OD1 3.27Å; R86-D89 IonicContact CZ-OD2 3.34Å; R86-D89 VanDerWaalsContact NE-CG 3.27Å; R86-D89 IonicContact NE-OD1 3.67Å; R86-D89 PolarHBondContact NE-OD1 3.4Å; R86-D89 VanDerWaalsContact NE-OD1 3.07Å; R86-D89 IonicContact NE-OD2 2.87Å; R86-D89 PolarHBondContact NE-OD2 2.95Å; R86-D89 VanDerWaalsContact NH2-CG 3.29Å; R86-D89 IonicContact NH2-OD1 3.36Å; R86-D89 PolarHBondContact NH2-OD1 2.95Å; R86-D89 VanDerWaalsContact NH2-OD1 3.08Å; R86-D89 IonicContact NH2-OD2 2.68Å; R86-D89 PolarHBondContact NH2-OD2 3.07Å; R86-D89 PolarHBondContact O-N 3.24Å; R86-C90 PolarHBondContact O-N 2.74Å; R86-C90 VanDerWaalsContact O-N 3.1Å
87E91.4Very high93.1Very high102 Ų10237.4 Ų37.448%0.47718%0.177SC..Hα-helixtrans-64.3-37.2179.7-179.4168.8-171.800112.6K60 C90 Q91K60-E87 IonicContact NZ-OE1 2.75Å; K60-E87 PolarHBondContact NZ-OE1 3.14Å; E87-C90 WeakPolarHBondContact O-CB 3.37Å; E87-C90 PolarHBondContact O-N 2.7Å; E87-Q91 PolarHBondContact O-N 3.34Å
88Q92.4Very high93.1Very high121 Ų12140.3 Ų40.357%0.56519%0.191SC*.Hα-helixtrans-61.4-48.5176.7-175.259.640.500111.3R86 C90 Q91 D92R86-Q88 VanDerWaalsContact C-N 3.32Å; R86-Q88 PolarHBondContact O-N 2.92Å; Q88-C90 VanDerWaalsContact C-N 3.25Å; Q88-C90 PolarHBondContact O-N 3.2Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 3.05Å; Q88-Q91 VanDerWaalsContact O-N 3.08Å; Q88-D92 PolarHBondContact NE2-OD2 3.03Å; Q88-D92 PolarHBondContact O-N 2.84Å
89D94Very high93.1Very high15 Ų1542.4 Ų42.48%0.0820%0.198CC..Hα-helixtrans-56.2-42.3174.9-62.112.5000111.4L6 V9 I84 R86 D92 V93L6-D89 HydrophobicContact CD2-CB 3.56Å; V9-D89 HydrophobicContact CG1-CB 4.16Å; V9-D89 HydrophobicContact CG2-CB 4.47Å; I84-D89 HydrophobicContact CG2-CB 3.78Å; R86-D89 HydrophobicContact CB-CB 4.15Å; R86-D89 IonicContact CZ-OD1 3.21Å; R86-D89 VanDerWaalsContact CZ-OD1 3.27Å; R86-D89 IonicContact CZ-OD2 3.34Å; R86-D89 VanDerWaalsContact NE-CG 3.27Å; R86-D89 IonicContact NE-OD1 3.67Å; R86-D89 PolarHBondContact NE-OD1 3.4Å; R86-D89 VanDerWaalsContact NE-OD1 3.07Å; R86-D89 IonicContact NE-OD2 2.87Å; R86-D89 PolarHBondContact NE-OD2 2.95Å; R86-D89 VanDerWaalsContact NH2-CG 3.29Å; R86-D89 IonicContact NH2-OD1 3.36Å; R86-D89 PolarHBondContact NH2-OD1 2.95Å; R86-D89 VanDerWaalsContact NH2-OD1 3.08Å; R86-D89 IonicContact NH2-OD2 2.68Å; R86-D89 PolarHBondContact NH2-OD2 3.07Å; R86-D89 PolarHBondContact O-N 3.24Å; D89-D92 PolarHBondContact O-N 3.5Å; D89-V93 WeakPolarHBondContact O-CB 3.42Å; D89-V93 VanDerWaalsContact O-CG2 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.3Å; D89-V93 PolarHBondContact O-N 3Å
90C93.8Very high93.1Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-63.8-41.6177.1-1690000111.9C68 I84 R86 E87 Q88 H94C68-C90 HydrophobicContact CB-CB 3.78Å; C68-C90 PolarHBondContact SG-SG 2.88Å; I84-C90 HydrophobicContact CB-CB 3.92Å; I84-C90 HydrophobicContact CD1-CB 4.14Å; I84-C90 HydrophobicContact CG2-CB 3.94Å; R86-C90 PolarHBondContact O-N 2.74Å; R86-C90 VanDerWaalsContact O-N 3.1Å; E87-C90 WeakPolarHBondContact O-CB 3.37Å; E87-C90 PolarHBondContact O-N 2.7Å; Q88-C90 VanDerWaalsContact C-N 3.25Å; Q88-C90 PolarHBondContact O-N 3.2Å; C90-H94 WeakPolarHBondContact O-CB 3.06Å; C90-H94 PolarHBondContact O-N 3.16Å
91Q94Very high93.1Very high57 Ų5742.1 Ų42.127%0.26620%0.198SC..Hα-helixtrans-63-44176.3-170.163.239.600111.7E87 Q88 H94 L95E87-Q91 PolarHBondContact O-N 3.34Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 3.05Å; Q88-Q91 VanDerWaalsContact O-N 3.08Å; Q91-H94 PolarHBondContact O-N 2.64Å; Q91-L95 HydrophobicContact CG-CD1 4.09Å; Q91-L95 WeakPolarHBondContact O-CB 3.19Å; Q91-L95 VanDerWaalsContact O-CG 3.29Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.36Å
92D94.4Very high93Very high28 Ų2844.6 Ų44.615%0.1521%0.21CC..Hα-helixtrans-72.4-35.1-179-75.7-41.1000112.5R5 L6 Q88 D89 S96R5-D92 HydrophobicContact CB-CB 3.78Å; R5-D92 WeakPolarHBondContact CD-OD1 3.38Å; R5-D92 IonicContact NH1-OD1 2.94Å; R5-D92 PolarHBondContact NH1-OD1 3.43Å; L6-D92 HydrophobicContact CB-CB 4.13Å; Q88-D92 PolarHBondContact NE2-OD2 3.03Å; Q88-D92 PolarHBondContact O-N 2.84Å; D89-D92 PolarHBondContact O-N 3.5Å; D92-S96 WeakPolarHBondContact O-CB 3.29Å; D92-S96 PolarHBondContact O-N 2.86Å; D92-S96 PolarHBondContact O-OG 2.68Å
93V94.8Very high92.8Very high0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-63.6-49.4168.6166.70000111V9 L28 L30 L70 I84 D89 L95 S96 L97V9-V93 HydrophobicContact CG2-CG2 3.6Å; L28-V93 HydrophobicContact CD2-CG1 4.13Å; L30-V93 HydrophobicContact CD1-CB 4.4Å; L30-V93 HydrophobicContact CD1-CG1 4.24Å; L30-V93 HydrophobicContact CD1-CG2 4.13Å; L70-V93 HydrophobicContact CD2-CG1 3.56Å; I84-V93 HydrophobicContact CD1-CB 4.17Å; I84-V93 HydrophobicContact CD1-CG1 4.09Å; I84-V93 HydrophobicContact CD1-CG2 4.32Å; D89-V93 WeakPolarHBondContact O-CB 3.42Å; D89-V93 VanDerWaalsContact O-CG2 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.3Å; D89-V93 PolarHBondContact O-N 3Å; V93-L95 PolarHBondContact O-N 3.17Å; V93-S96 PolarHBondContact O-N 3.25Å; V93-L97 HydrophobicContact CG1-CD1 3.73Å; V93-L97 HydrophobicContact CG1-CG 4.33Å; V93-L97 WeakPolarHBondContact O-CB 3.44Å; V93-L97 WeakPolarHBondContact O-CG 3.38Å; V93-L97 PolarHBondContact O-N 3.21Å
94H94.8Very high92.7Very high30 Ų3051.2 Ų51.214%0.13924%0.242CC..Hα-helixtrans-56.7-49.8179.1169.373.2000111.8V58 L70 C90 Q91 S96 L97 Q98V58-H94 PolarHBondContact O-CE1 2.89Å; V58-H94 PolarHBondContact O-ND1 3.21Å; L70-H94 HydrophobicContact CD1-CB 3.91Å; C90-H94 WeakPolarHBondContact O-CB 3.06Å; C90-H94 PolarHBondContact O-N 3.16Å; Q91-H94 PolarHBondContact O-N 2.64Å; H94-S96 PolarHBondContact O-N 2.76Å; H94-L97 PolarHBondContact O-N 2.94Å; H94-Q98 WeakPolarHBondContact O-CB 3.19Å; H94-Q98 PolarHBondContact O-N 3.38Å
95L94.3Very high92.5Very high50 Ų5059.5 Ų59.526%0.26227%0.273SS..Hα-helixtrans-66.4-34.6178.9-69172.7000112.8R5 Q91 V93 R99R5-L95 VanDerWaalsContact NH1-CD1 3.34Å; Q91-L95 HydrophobicContact CG-CD1 4.09Å; Q91-L95 WeakPolarHBondContact O-CB 3.19Å; Q91-L95 VanDerWaalsContact O-CG 3.29Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.36Å; V93-L95 PolarHBondContact O-N 3.17Å; L95-R99 PolarHBondContact O-N 3.31Å
96S94.4Very high92.3Very high1 Ų157.7 Ų57.71%0.00726%0.258CS..Hα-helixtrans-64.5-49.6173.9-57.30000110.7R5 D92 V93 H94 R99 L100R5-S96 PolarHBondContact N-OG 2.97Å; D92-S96 WeakPolarHBondContact O-CB 3.29Å; D92-S96 PolarHBondContact O-N 2.86Å; D92-S96 PolarHBondContact O-OG 2.68Å; V93-S96 PolarHBondContact O-N 3.25Å; H94-S96 PolarHBondContact O-N 2.76Å; S96-R99 PolarHBondContact O-N 2.76Å; S96-L100 WeakPolarHBondContact O-CB 3.49Å; S96-L100 WeakPolarHBondContact O-CD1 3.16Å; S96-L100 WeakPolarHBondContact O-CG 3.44Å; S96-L100 PolarHBondContact O-N 2.88Å
97L93.7Very high92.1Very high1 Ų155.3 Ų55.31%0.00525%0.253CS..Hα-helixtrans-63.9-41.9-179.8-70.7172.6000112.4L30 S35 V58 L70 I72 V93 H94 R99 L100 S101L30-L97 HydrophobicContact CD2-CD2 3.79Å; L30-L97 HydrophobicContact CD2-CG 4.28Å; S35-L97 WeakPolarHBondContact OG-CD2 3.46Å; V58-L97 HydrophobicContact CG1-CB 4.29Å; V58-L97 HydrophobicContact CG1-CD1 4.16Å; V58-L97 HydrophobicContact CG2-CB 4Å; L70-L97 HydrophobicContact CD2-CD1 4.18Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å; I72-L97 HydrophobicContact CG1-CD1 4.46Å; V93-L97 HydrophobicContact CG1-CD1 3.73Å; V93-L97 HydrophobicContact CG1-CG 4.33Å; V93-L97 WeakPolarHBondContact O-CB 3.44Å; V93-L97 WeakPolarHBondContact O-CG 3.38Å; V93-L97 PolarHBondContact O-N 3.21Å; H94-L97 PolarHBondContact O-N 2.94Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.6Å; L97-L100 PolarHBondContact O-N 2.78Å; L97-S101 WeakPolarHBondContact O-CB 3.12Å; L97-S101 PolarHBondContact O-N 3.34Å; L97-S101 PolarHBondContact O-OG 2.87Å; L97-S101 VanDerWaalsContact O-OG 3.05Å
98Q92.3Very high92Very high85 Ų8554.1 Ų54.140%0.39725%0.248SC..Hα-helixtrans-59.8-37.2-179.4-172.8-17910.100112.6H94 S101 Q102H94-Q98 WeakPolarHBondContact O-CB 3.19Å; H94-Q98 PolarHBondContact O-N 3.38Å; Q98-S101 PolarHBondContact O-OG 3.07Å; Q98-Q102 WeakPolarHBondContact O-CG 3.33Å
99R91.3Very high91.9Very high66 Ų6648.5 Ų48.525%0.24922%0.222CC..Hα-helixtrans-76.2-43172.7172.155.3-177.21241.9111.9H3 L95 S96 L97 S101 Q102 E108H3-R99 HydrophobicContact CB-CG 4.1Å; H3-R99 PolarHBondContact NE2-NE 3.21Å; H3-R99 PolarHBondContact NE2-NH2 3.29Å; L95-R99 PolarHBondContact O-N 3.31Å; S96-R99 PolarHBondContact O-N 2.76Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.6Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 2.93Å; R99-Q102 PolarHBondContact NH1-O 2.78Å; R99-Q102 CarbonylContact O-C 3.37Å; R99-Q102 PolarHBondContact O-N 2.93Å; R99-E108 IonicContact CZ-OE1 2.66Å; R99-E108 IonicContact CZ-OE2 3.79Å; R99-E108 IonicContact NH1-OE1 2.95Å; R99-E108 IonicContact NH1-OE2 3.17Å; R99-E108 PolarHBondContact NH1-OE2 3.49Å; R99-E108 IonicContact NH2-OE1 2.89Å; R99-E108 PolarHBondContact NH2-OE1 2.9Å; R99-E108 IonicContact NH2-OE2 3.97Å; R99-E108 PolarHBondContact NH2-OE2 2.93Å
100L90.7Very high91.8Very high34 Ų3449.6 Ų49.618%0.17823%0.225CC..Hα-helixtrans-69.9-25.4-175.5-67.7168000113.3H3 I4 H52 S96 L97H3-L100 HydrophobicContact CB-CD2 4.14Å; I4-L100 HydrophobicContact CG1-CD1 3.99Å; H52-L100 HydrophobicContact CB-CB 4.18Å; H52-L100 WeakPolarHBondContact CB-O 3.46Å; S96-L100 WeakPolarHBondContact O-CB 3.49Å; S96-L100 WeakPolarHBondContact O-CD1 3.16Å; S96-L100 WeakPolarHBondContact O-CG 3.44Å; S96-L100 PolarHBondContact O-N 2.88Å; L97-L100 PolarHBondContact O-N 2.78Å
101S91.4Very high91.7Very high13 Ų1349.6 Ų49.69%0.09123%0.225CC..THydrogen-bonded Turntrans-84.5-7.6173.567.40000114.4H52 L97 Q98 R99 P103H52-S101 WeakPolarHBondContact O-CA 3.24Å; H52-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 WeakPolarHBondContact O-CB 3.12Å; L97-S101 PolarHBondContact O-N 3.34Å; L97-S101 PolarHBondContact O-OG 2.87Å; L97-S101 VanDerWaalsContact O-OG 3.05Å; Q98-S101 PolarHBondContact O-OG 3.07Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 2.93Å; S101-P103 VanDerWaalsContact O-CD 3.23Å; S101-P103 WeakPolarHBondContact O-CD 3.5Å
102Q89.4Confident91.4Very high103 Ų10348.4 Ų48.448%0.48122%0.219SC..  trans-118.872.7-179.4-65.1-171.3-500111.2Q98 R99Q98-Q102 WeakPolarHBondContact O-CG 3.33Å; R99-Q102 PolarHBondContact NH1-O 2.78Å; R99-Q102 CarbonylContact O-C 3.37Å; R99-Q102 PolarHBondContact O-N 2.93Å
103P90.3Very high91.1Very high12 Ų1250.5 Ų50.58%0.07824%0.236CC..  trans-65.8136.5171.628.8-34.3000110.4S101 E108 L109 H386 L387 A388S101-P103 VanDerWaalsContact O-CD 3.23Å; S101-P103 WeakPolarHBondContact O-CD 3.5Å; P103-E108 VanDerWaalsContact CA-OE2 3.23Å; P103-E108 WeakPolarHBondContact CA-OE2 3.45Å; P103-E108 HydrophobicContact CB-CB 3.75Å; P103-L109 HydrophobicContact CB-CD2 4.07Å; P103-L109 HydrophobicContact CG-CD2 3.65Å; P103-H386 VanDerWaalsContact CG-O 3.27Å; P103-H386 WeakPolarHBondContact CG-O 3.31Å; P103-L387 HydrophobicContact CB-CD2 4.07Å; P103-L387 HydrophobicContact CG-CD2 4.16Å; P103-L387 WeakPolarHBondContact O-CA 3.49Å; P103-A388 PolarHBondContact O-N 3.25Å
104Q89.9Confident90.7Very high134 Ų13452.9 Ų52.963%0.62625%0.245SC*.  trans-101.7-19.8-178.6-66-174.1-2.600113E108 A388Q104-E108 PolarHBondContact N-OE2 3.13Å; Q104-A388 HydrophobicContact CG-CB 4.46Å
105R89.7Confident90.1Very high174 Ų17459.9 Ų59.966%0.65728%0.275SS*.SBendtrans-129152.6-178.1-61.8-178.9178.8170-0110E107 E108 L387R105-E107 PolarHBondContact O-N 2.9Å; R105-E108 HydrophobicContact CB-CG 4.34Å; R105-E108 WeakPolarHBondContact O-CB 3.35Å; R105-E108 PolarHBondContact O-N 3.44Å; R105-E108 VanDerWaalsContact O-N 3.09Å; R105-L387 WeakPolarHBondContact O-CD2 3.14Å
106Y89.2Confident89.5Confident27 Ų2759.1 Ų59.111%0.10627%0.273CS..G310 helixtrans-58.4-38.4179.3-77.1-61.4000111.9E108 L109 F112 T381 L387 I439 E445 L449Y106-E108 PolarHBondContact O-N 3.11Å; Y106-E108 VanDerWaalsContact O-N 3.15Å; Y106-L109 HydrophobicContact CD1-CD1 3.76Å; Y106-L109 HydrophobicContact CE1-CD1 4.43Å; Y106-L109 VanDerWaalsContact O-CB 3.23Å; Y106-L109 WeakPolarHBondContact O-CB 3.34Å; Y106-L109 VanDerWaalsContact O-CG 3.3Å; Y106-L109 WeakPolarHBondContact O-CG 3.37Å; Y106-L109 PolarHBondContact O-N 2.78Å; Y106-F112 WeakPolarHBondContact O-CD2 3.45Å; Y106-F112 WeakPolarHBondContact O-CE2 3.32Å; Y106-T381 HydrophobicContact CE1-CG2 4.08Å; Y106-T381 PolarHBondContact OH-OG1 3.29Å; Y106-L387 HydrophobicContact CD1-CD1 3.75Å; Y106-L387 HydrophobicContact CD1-CG 4.34Å; Y106-L387 HydrophobicContact CD2-CD1 4.19Å; Y106-L387 HydrophobicContact CE1-CD1 3.56Å; Y106-L387 HydrophobicContact CE1-CG 4.19Å; Y106-L387 HydrophobicContact CE2-CD1 4.05Å; Y106-L387 HydrophobicContact CG-CD1 4.06Å; Y106-I439 HydrophobicContact CD1-CG2 3.34Å; Y106-I439 HydrophobicContact CE1-CG2 3.49Å; Y106-I439 VanDerWaalsContact CE1-CG2 3.49Å; Y106-I439 HydrophobicContact CG-CG2 4.33Å; Y106-E445 VanDerWaalsContact CE2-OE1 3.26Å; Y106-E445 WeakPolarHBondContact CE2-OE1 3.42Å; Y106-E445 VanDerWaalsContact CZ-OE1 3.27Å; Y106-E445 PolarHBondContact OH-OE1 2.84Å; Y106-L449 HydrophobicContact CD2-CD1 3.68Å; Y106-L449 HydrophobicContact CD2-CD2 4.21Å; Y106-L449 HydrophobicContact CE2-CD1 3.79Å; Y106-L449 HydrophobicContact CG-CD1 4.13Å
107E88.2Confident88.9Confident108 Ų10867.5 Ų67.551%0.50532%0.318SS..G310 helixtrans-64.6-17.8179.9-60.970-152.600113.9R105 L109R105-E107 PolarHBondContact O-N 2.9Å; E107-L109 VanDerWaalsContact C-N 3.3Å
108E88.9Confident88.3Confident78 Ų7869.1 Ų69.136%0.36433%0.328SS..G310 helixtrans-79.4-11.7173.7-61.3-174.916600112.5R99 P103 Q104 R105 Y106R99-E108 IonicContact CZ-OE1 2.66Å; R99-E108 IonicContact CZ-OE2 3.79Å; R99-E108 IonicContact NH1-OE1 2.95Å; R99-E108 IonicContact NH1-OE2 3.17Å; R99-E108 PolarHBondContact NH1-OE2 3.49Å; R99-E108 IonicContact NH2-OE1 2.89Å; R99-E108 PolarHBondContact NH2-OE1 2.9Å; R99-E108 IonicContact NH2-OE2 3.97Å; R99-E108 PolarHBondContact NH2-OE2 2.93Å; P103-E108 VanDerWaalsContact CA-OE2 3.23Å; P103-E108 WeakPolarHBondContact CA-OE2 3.45Å; P103-E108 HydrophobicContact CB-CB 3.75Å; Q104-E108 PolarHBondContact N-OE2 3.13Å; R105-E108 HydrophobicContact CB-CG 4.34Å; R105-E108 WeakPolarHBondContact O-CB 3.35Å; R105-E108 PolarHBondContact O-N 3.44Å; R105-E108 VanDerWaalsContact O-N 3.09Å; Y106-E108 PolarHBondContact O-N 3.11Å; Y106-E108 VanDerWaalsContact O-N 3.15Å
109L91.1Very high88Confident3 Ų369.4 Ų69.42%0.01633%0.332CS..SBendtrans-71.8148.6-179.4-62.2178.9000112.6P103 Y106 E107 C111 F112 H386 L387 C433 I439P103-L109 HydrophobicContact CB-CD2 4.07Å; P103-L109 HydrophobicContact CG-CD2 3.65Å; Y106-L109 HydrophobicContact CD1-CD1 3.76Å; Y106-L109 HydrophobicContact CE1-CD1 4.43Å; Y106-L109 VanDerWaalsContact O-CB 3.23Å; Y106-L109 WeakPolarHBondContact O-CB 3.34Å; Y106-L109 VanDerWaalsContact O-CG 3.3Å; Y106-L109 WeakPolarHBondContact O-CG 3.37Å; Y106-L109 PolarHBondContact O-N 2.78Å; E107-L109 VanDerWaalsContact C-N 3.3Å; L109-C111 VanDerWaalsContact C-N 3.26Å; L109-C111 PolarHBondContact O-N 3.25Å; L109-F112 HydrophobicContact CB-CD2 4.1Å; L109-F112 HydrophobicContact CB-CE2 4.35Å; L109-F112 PolarHBondContact O-N 3.14Å; L109-F112 VanDerWaalsContact O-N 3.16Å; L109-H386 WeakPolarHBondContact CD2-O 3.31Å; L109-L387 HydrophobicContact CD1-CD2 4.36Å; L109-L387 HydrophobicContact CD2-CD2 3.91Å; L109-L387 HydrophobicContact CG-CD2 4.1Å; L109-C433 HydrophobicContact CB-CB 4.49Å; L109-C433 HydrophobicContact CD2-CB 4.32Å; L109-I439 HydrophobicContact CD1-CD1 3.78Å; L109-I439 HydrophobicContact CD1-CG1 4.34Å; L109-I439 HydrophobicContact CD1-CG2 3.93Å
110Y90.9Very high87.6Confident38 Ų3872.1 Ų72.115%0.14935%0.348CS..Hα-helixtrans-57.8-36.2-175.1179.7-134.9000113.3T33 H34 L51 F112 S113 Y114 Q434T33-Y110 HydrophobicContact CG2-CD2 3.58Å; T33-Y110 HydrophobicContact CG2-CE2 3.95Å; H34-Y110 AromaticContact CE1-CZ 3.76Å; L51-Y110 HydrophobicContact CD1-CE1 4.49Å; L51-Y110 HydrophobicContact CD2-CD1 3.36Å; L51-Y110 HydrophobicContact CD2-CD2 4.43Å; L51-Y110 HydrophobicContact CD2-CE1 3.44Å; L51-Y110 VanDerWaalsContact CD2-CE1 3.44Å; L51-Y110 HydrophobicContact CD2-CG 3.91Å; Y110-F112 PolarHBondContact O-N 2.82Å; Y110-F112 VanDerWaalsContact O-N 3.12Å; Y110-S113 CarbonylContact O-C 3.49Å; Y110-S113 WeakPolarHBondContact O-CA 3.36Å; Y110-S113 PolarHBondContact O-N 2.6Å; Y110-Y114 HydrophobicContact CE1-CD2 4.36Å; Y110-Y114 AromaticContact CZ-CD2 3.93Å; Y110-Y114 WeakPolarHBondContact O-CB 3.15Å; Y110-Y114 PolarHBondContact O-N 2.73Å; Y110-Q434 HydrophobicContact CD1-CB 3.79Å; Y110-Q434 HydrophobicContact CD1-CG 4.01Å; Y110-Q434 HydrophobicContact CE1-CB 3.94Å; Y110-Q434 HydrophobicContact CE1-CG 3.66Å
111C91.1Very high87.4Confident0 Ų075.4 Ų75.40%036%0.362CS..Hα-helixtrans-57.3-25.9179.455.30000115L109 C433 Q434 T457L109-C111 VanDerWaalsContact C-N 3.26Å; L109-C111 PolarHBondContact O-N 3.25Å; C111-C433 WeakPolarHBondContact CA-O 3.22Å; C111-C433 WeakPolarHBondContact CB-O 3.48Å; C111-C433 PolarHBondContact N-O 3.1Å; C111-Q434 WeakPolarHBondContact CA-O 3.44Å; C111-Q434 WeakPolarHBondContact CB-O 3.46Å; C111-T457 HydrophobicContact CB-CG2 3.99Å; C111-T457 WeakPolarHBondContact O-CG2 3.2Å
112F88.9Confident87.2Confident31 Ų3178.5 Ų78.514%0.13638%0.375CS..Hα-helixtrans-85.6-18175-62.4-79.9000113.4Y106 L109 Y110 V453 K456 T457Y106-F112 WeakPolarHBondContact O-CD2 3.45Å; Y106-F112 WeakPolarHBondContact O-CE2 3.32Å; L109-F112 HydrophobicContact CB-CD2 4.1Å; L109-F112 HydrophobicContact CB-CE2 4.35Å; L109-F112 PolarHBondContact O-N 3.14Å; L109-F112 VanDerWaalsContact O-N 3.16Å; Y110-F112 PolarHBondContact O-N 2.82Å; Y110-F112 VanDerWaalsContact O-N 3.12Å; F112-V453 HydrophobicContact CE1-CG2 4.44Å; F112-V453 HydrophobicContact CZ-CG2 4.05Å; F112-K456 HydrophobicContact CD1-CB 4.32Å; F112-T457 HydrophobicContact CD1-CG2 3.51Å; F112-T457 HydrophobicContact CD2-CG2 4.41Å; F112-T457 HydrophobicContact CE1-CG2 3.48Å; F112-T457 VanDerWaalsContact CE1-CG2 3.48Å; F112-T457 HydrophobicContact CE2-CG2 4.39Å; F112-T457 HydrophobicContact CG-CG2 4.01Å; F112-T457 HydrophobicContact CZ-CG2 3.97Å
113S87.4Confident87.1Confident73 Ų7375.5 Ų75.551%0.5136%0.359SS..Hα-helixtrans-96.7-17.3173.2-650000112.8Y110 K115Y110-S113 CarbonylContact O-C 3.49Å; Y110-S113 WeakPolarHBondContact O-CA 3.36Å; Y110-S113 PolarHBondContact O-N 2.6Å; S113-K115 PolarHBondContact O-N 2.83Å
114Y87.8Confident86.9Confident49 Ų4981.4 Ų81.419%0.19238%0.38CS..  trans-73.3112.1179179.9-121.2000110.4Y110 P116 Q434 F435Y110-Y114 HydrophobicContact CE1-CD2 4.36Å; Y110-Y114 AromaticContact CZ-CD2 3.93Å; Y110-Y114 WeakPolarHBondContact O-CB 3.15Å; Y110-Y114 PolarHBondContact O-N 2.73Å; Y114-P116 HydrophobicContact CD1-CG 4.36Å; Y114-P116 HydrophobicContact CE1-CB 4.37Å; Y114-P116 HydrophobicContact CE1-CG 3.82Å; Y114-P116 WeakPolarHBondContact O-CD 3.2Å; Y114-Q434 HydrophobicContact CD1-CG 4.02Å; Y114-Q434 HydrophobicContact CD2-CG 4.32Å; Y114-Q434 HydrophobicContact CE1-CG 4.17Å; Y114-Q434 HydrophobicContact CE2-CG 4.47Å; Y114-Q434 HydrophobicContact CG-CG 4.11Å; Y114-F435 HydrophobicContact CE1-CE1 4.12Å
115K81.5Confident86.8Confident178 Ų17882.3 Ų82.377%0.77438%0.378SS*.  trans-121.383.2179.8-65.2-174-178-176.30110.5S113S113-K115 PolarHBondContact O-N 2.83Å
116P81.4Confident86.7Confident34 Ų3475 Ų7522%0.22135%0.351CS..  trans-64.5155.516132.1-35.1000109.4Y114 V118 H458Y114-P116 HydrophobicContact CD1-CG 4.36Å; Y114-P116 HydrophobicContact CE1-CB 4.37Å; Y114-P116 HydrophobicContact CE1-CG 3.82Å; Y114-P116 WeakPolarHBondContact O-CD 3.2Å; P116-V118 HydrophobicContact CB-CG2 4.07Å; P116-V118 HydrophobicContact CG-CB 4.42Å; P116-V118 HydrophobicContact CG-CG2 4.2Å; P116-V118 PolarHBondContact O-N 3.39Å; P116-H458 WeakPolarHBondContact CD-NE2 3.26Å; P116-H458 VanDerWaalsContact CG-CE1 3.45Å; P116-H458 WeakPolarHBondContact CG-CE1 3.18Å
117N81.1Confident86.7Confident176 Ų17675.7 Ų75.794%0.94135%0.354SS*.SBendtrans-76.763.1179.7-69.9-18.3000111.2
118V81.6Confident86.8Confident35 Ų3574 Ų7421%0.21236%0.358CS..  trans-124.5126.6-173.7171.70000109P116 E122 R123P116-V118 HydrophobicContact CB-CG2 4.07Å; P116-V118 HydrophobicContact CG-CB 4.42Å; P116-V118 HydrophobicContact CG-CG2 4.2Å; P116-V118 PolarHBondContact O-N 3.39Å; V118-E122 HydrophobicContact CG1-CB 3.84Å; V118-E122 HydrophobicContact CG1-CG 3.79Å; V118-R123 HydrophobicContact CG1-CB 4.4Å; V118-R123 PolarHBondContact O-NH2 2.96Å
119D85.5Confident86.9Confident91 Ų9172.2 Ų72.249%0.48735%0.35SS..  trans-70.5173-177.877.144.5000112.9E121 E122 R123D119-E121 WeakPolarHBondContact OD1-CA 3.18Å; D119-E121 PolarHBondContact OD1-N 3.48Å; D119-E122 WeakPolarHBondContact OD1-CB 3.48Å; D119-E122 PolarHBondContact OD1-N 2.9Å; D119-R123 VanDerWaalsContact O-CB 3.27Å; D119-R123 WeakPolarHBondContact O-CB 3.47Å; D119-R123 PolarHBondContact O-N 3.29Å; D119-R123 VanDerWaalsContact O-N 3.09Å
120E84.4Confident86.9Confident123 Ų12373.2 Ų73.258%0.57536%0.356SS*.Hα-helixtrans-71.6-28-177.1-64.2-166.317300113.7R124E120-R124 WeakPolarHBondContact O-CD 3.41Å; E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 2.97Å
121E85.6Confident86.9Confident104 Ų10475.3 Ų75.349%0.48637%0.37SS..Hα-helixtrans-84.2-35.7-178-69.6-57.9133.300112D119 R124 R125D119-E121 WeakPolarHBondContact OD1-CA 3.18Å; D119-E121 PolarHBondContact OD1-N 3.48Å; E121-R124 PolarHBondContact O-N 2.89Å; E121-R124 WeakPolarHBondContact OE1-CD 3.38Å; E121-R124 IonicContact OE1-CZ 3.62Å; E121-R124 IonicContact OE1-NE 2.81Å; E121-R124 IonicContact OE1-NH1 3.59Å; E121-R124 PolarHBondContact OE1-NH1 2.81Å; E121-R125 WeakPolarHBondContact O-CG 3.17Å; E121-R125 PolarHBondContact O-N 2.97Å; E121-R125 PolarHBondContact O-NE 3.27Å
122E86.8Confident87Confident77 Ų7777.2 Ų77.236%0.3638%0.379SS..Hα-helixtrans-60.5-48.6164.7-169.8168.1-146.600111V118 D119 R124 R125 D126V118-E122 HydrophobicContact CG1-CB 3.84Å; V118-E122 HydrophobicContact CG1-CG 3.79Å; D119-E122 WeakPolarHBondContact OD1-CB 3.48Å; D119-E122 PolarHBondContact OD1-N 2.9Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 2.89Å; E122-R125 VanDerWaalsContact CA-NH2 3.34Å; E122-R125 CarbonylContact O-C 3.52Å; E122-R125 WeakPolarHBondContact O-CA 3.35Å; E122-R125 WeakPolarHBondContact O-CB 3.38Å; E122-R125 PolarHBondContact O-N 3.47Å; E122-D126 VanDerWaalsContact O-CG 3.31Å; E122-D126 PolarHBondContact O-N 2.8Å
123R87.3Confident87.2Confident40 Ų4080.7 Ų80.715%0.15140%0.395CS..Hα-helixtrans-58.3-39.1175.2-169.7-176.2-46.8164.47.7113V118 D119 D126 W127 E455 H458V118-R123 HydrophobicContact CG1-CB 4.4Å; V118-R123 PolarHBondContact O-NH2 2.96Å; D119-R123 VanDerWaalsContact O-CB 3.27Å; D119-R123 WeakPolarHBondContact O-CB 3.47Å; D119-R123 PolarHBondContact O-N 3.29Å; D119-R123 VanDerWaalsContact O-N 3.09Å; R123-D126 PolarHBondContact O-N 3.2Å; R123-W127 PolarHBondContact O-N 3.12Å; R123-E455 PolarHBondContact NH1-O 2.95Å; R123-H458 PolarHBondContact NE-CE1 3.25Å
124R86.5Confident87.5Confident136 Ų13679.8 Ų79.851%0.51339%0.392SS..Hα-helixtrans-63.4-40.7173.4-76.6165.3-173.9-174.23.7111.8E120 E121 E122 A128E120-R124 WeakPolarHBondContact O-CD 3.41Å; E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 2.97Å; E121-R124 PolarHBondContact O-N 2.89Å; E121-R124 WeakPolarHBondContact OE1-CD 3.38Å; E121-R124 IonicContact OE1-CZ 3.62Å; E121-R124 IonicContact OE1-NE 2.81Å; E121-R124 IonicContact OE1-NH1 3.59Å; E121-R124 PolarHBondContact OE1-NH1 2.81Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 2.89Å; R124-A128 PolarHBondContact O-N 2.88Å
125R87.4Confident87.9Confident154 Ų15477.5 Ų77.558%0.58138%0.383SS*.Hα-helixtrans-67-39174.8-71.3176.9-69.6147.7-1112.3E121 E122 W127 A128 F129E121-R125 WeakPolarHBondContact O-CG 3.17Å; E121-R125 PolarHBondContact O-N 2.97Å; E121-R125 PolarHBondContact O-NE 3.27Å; E122-R125 VanDerWaalsContact CA-NH2 3.34Å; E122-R125 CarbonylContact O-C 3.52Å; E122-R125 WeakPolarHBondContact O-CA 3.35Å; E122-R125 WeakPolarHBondContact O-CB 3.38Å; E122-R125 PolarHBondContact O-N 3.47Å; R125-W127 VanDerWaalsContact C-N 3.33Å; R125-W127 PolarHBondContact O-N 3.27Å; R125-A128 CarbonylContact O-C 3.55Å; R125-A128 WeakPolarHBondContact O-CA 3.39Å; R125-A128 PolarHBondContact O-N 2.8Å; R125-F129 PolarHBondContact O-N 3.15Å; R125-F129 VanDerWaalsContact O-N 3.09Å
126D88.8Confident88.6Confident19 Ų1970.1 Ų70.110%0.10235%0.35CS..Hα-helixtrans-59.9-40.4176.3-68.5-24.7000112.6E122 R123 A128 F129 S459 S462E122-D126 VanDerWaalsContact O-CG 3.31Å; E122-D126 PolarHBondContact O-N 2.8Å; R123-D126 PolarHBondContact O-N 3.2Å; D126-A128 VanDerWaalsContact C-N 3.33Å; D126-F129 WeakPolarHBondContact O-CB 3.3Å; D126-F129 PolarHBondContact O-N 2.94Å; D126-S459 WeakPolarHBondContact O-CB 3.49Å; D126-S459 PolarHBondContact O-OG 3.25Å; D126-S462 WeakPolarHBondContact OD1-CB 3.21Å; D126-S462 PolarHBondContact OD1-OG 3.48Å
127W88.8Confident89.3Confident43 Ų4372 Ų7216%0.16336%0.364CS..Hα-helixtrans-71.6-27.3174.4-78114.2000113R123 R125 N437 V453 H454 T457 H458R123-W127 PolarHBondContact O-N 3.12Å; R125-W127 VanDerWaalsContact C-N 3.33Å; R125-W127 PolarHBondContact O-N 3.27Å; W127-N437 WeakPolarHBondContact CZ3-ND2 3.37Å; W127-V453 HydrophobicContact CH2-CG1 4.39Å; W127-V453 HydrophobicContact CZ2-CG1 4.39Å; W127-H454 PolarHBondContact NE1-O 3.24Å; W127-T457 WeakPolarHBondContact CZ2-OG1 3.24Å; W127-T457 PolarHBondContact NE1-O 2.89Å; W127-H458 VanDerWaalsContact CZ2-C 3.46Å; W127-H458 WeakPolarHBondContact CZ2-O 3.46Å
128A89.5Confident90.1Very high72 Ų7266.7 Ų66.760%0.59533%0.331SS*.THydrogen-bonded Turntrans-86.2-1176.300000114.2R124 R125 D126 V130R124-A128 PolarHBondContact O-N 2.88Å; R125-A128 CarbonylContact O-C 3.55Å; R125-A128 WeakPolarHBondContact O-CA 3.39Å; R125-A128 PolarHBondContact O-N 2.8Å; D126-A128 VanDerWaalsContact C-N 3.33Å; A128-V130 VanDerWaalsContact C-N 3.32Å; A128-V130 PolarHBondContact O-N 2.93Å
129F90.8Very high90.7Very high41 Ų4165.2 Ų65.218%0.1832%0.322CS..SBendtrans-62.1-34.7-175.5175.9-100.4000114.1R125 D126 K363 M366 W461 W465R125-F129 PolarHBondContact O-N 3.15Å; R125-F129 VanDerWaalsContact O-N 3.09Å; D126-F129 WeakPolarHBondContact O-CB 3.3Å; D126-F129 PolarHBondContact O-N 2.94Å; F129-K363 HydrophobicContact CE1-CD 4.45Å; F129-K363 HydrophobicContact CE1-CG 4.47Å; F129-K363 HydrophobicContact CZ-CD 4.09Å; F129-K363 HydrophobicContact CZ-CG 4.48Å; F129-K363 PolarHBondContact O-NZ 3.29Å; F129-K363 VanDerWaalsContact O-NZ 3.12Å; F129-M366 HydrophobicContact CE1-SD 3.98Å; F129-W461 HydrophobicContact CD1-CB 3.86Å; F129-W461 HydrophobicContact CE1-CB 4.33Å; F129-W465 HydrophobicContact CE1-CB 4.3Å; F129-W465 HydrophobicContact CE1-CD2 4.42Å; F129-W465 HydrophobicContact CE1-CE3 4.47Å; F129-W465 HydrophobicContact CE1-CG 4.35Å; F129-W465 HydrophobicContact CE2-CB 4.31Å; F129-W465 AromaticContact CE2-CD1 3.75Å; F129-W465 AromaticContact CE2-CD2 3.94Å; F129-W465 HydrophobicContact CE2-CD2 3.94Å; F129-W465 AromaticContact CE2-CG 3.74Å; F129-W465 HydrophobicContact CE2-CG 3.74Å; F129-W465 AromaticContact CE2-NE1 3.94Å; F129-W465 HydrophobicContact CZ-CB 3.89Å; F129-W465 AromaticContact CZ-CD1 3.98Å; F129-W465 AromaticContact CZ-CD2 3.43Å; F129-W465 HydrophobicContact CZ-CD2 3.43Å; F129-W465 VanDerWaalsContact CZ-CD2 3.43Å; F129-W465 AromaticContact CZ-CE2 3.92Å; F129-W465 AromaticContact CZ-CE3 3.74Å; F129-W465 HydrophobicContact CZ-CE3 3.74Å; F129-W465 AromaticContact CZ-CG 3.49Å; F129-W465 HydrophobicContact CZ-CG 3.49Å; F129-W465 VanDerWaalsContact CZ-CG 3.49Å; F129-W465 HydrophobicContact CZ-CZ3 4.45Å
130V92.4Very high91.3Very high23 Ų2362.6 Ų62.614%0.13932%0.317CS..SBendtrans-100.6108.3174.8178.40000109.2A128 L132 M366 V367 E370 W461A128-V130 VanDerWaalsContact C-N 3.32Å; A128-V130 PolarHBondContact O-N 2.93Å; V130-L132 HydrophobicContact CG1-CD2 4.13Å; V130-M366 HydrophobicContact CG2-CB 4.33Å; V130-V367 HydrophobicContact CG1-CB 4.39Å; V130-V367 HydrophobicContact CG1-CG2 3.84Å; V130-E370 HydrophobicContact CB-CG 4.46Å; V130-E370 HydrophobicContact CG1-CB 3.94Å; V130-E370 HydrophobicContact CG1-CG 4.06Å; V130-W461 HydrophobicContact CG2-CB 4.26Å; V130-W461 HydrophobicContact CG2-CG 4Å
131D90.8Very high91.8Very high83 Ų8357 Ų5744%0.44429%0.29SS..  trans-101.2114.6170.7178.524.6000110.8K133 A134D131-K133 VanDerWaalsContact C-N 3.3Å; D131-K133 WeakPolarHBondContact OD1-CB 3.42Å; D131-K133 PolarHBondContact OD1-N 2.98Å; D131-A134 HydrophobicContact CB-CB 4.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.44Å; D131-A134 PolarHBondContact OD2-N 3.19Å
132L92.7Very high92.4Very high39 Ų3956.4 Ų56.420%0.20430%0.295CS..Hα-helixtrans-71.7-24.5175.6-59.5-176.7000112.3V130 D135 F136 V367 E370 K371V130-L132 HydrophobicContact CG1-CD2 4.13Å; L132-D135 PolarHBondContact O-N 2.84Å; L132-F136 VanDerWaalsContact O-CD2 3.26Å; L132-F136 WeakPolarHBondContact O-CD2 3.18Å; L132-F136 PolarHBondContact O-N 2.95Å; L132-V367 HydrophobicContact CD2-CG1 4.42Å; L132-E370 HydrophobicContact CD2-CB 4.07Å; L132-K371 HydrophobicContact CD2-CB 3.99Å
133K92.9Very high92.8Very high105 Ų10555 Ų5546%0.45729%0.29SS..Hα-helixtrans-69.2-43.6177.7-60.4-171176.1-164.70110.6D131 D135 F136 S137 E164D131-K133 VanDerWaalsContact C-N 3.3Å; D131-K133 WeakPolarHBondContact OD1-CB 3.42Å; D131-K133 PolarHBondContact OD1-N 2.98Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 2.83Å; K133-F136 PolarHBondContact O-N 2.71Å; K133-S137 WeakPolarHBondContact O-CB 3.44Å; K133-S137 PolarHBondContact O-N 3.11Å; K133-S137 PolarHBondContact O-OG 2.96Å; K133-E164 WeakPolarHBondContact CE-OE1 3.32Å; K133-E164 WeakPolarHBondContact CE-OE2 3.25Å; K133-E164 VanDerWaalsContact NZ-CD 3.32Å; K133-E164 IonicContact NZ-OE1 2.74Å; K133-E164 PolarHBondContact NZ-OE1 3.13Å; K133-E164 IonicContact NZ-OE2 3.08Å; K133-E164 PolarHBondContact NZ-OE2 3.06Å
134A94.8Very high93.2Very high54 Ų5457 Ų5745%0.44632%0.316SS..Hα-helixtrans-54.9-36.7172.500000113.5D131 S137 R138D131-A134 HydrophobicContact CB-CB 4.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.44Å; D131-A134 PolarHBondContact OD2-N 3.19Å; A134-S137 PolarHBondContact O-N 3.31Å; A134-R138 WeakPolarHBondContact O-CB 3.4Å; A134-R138 PolarHBondContact O-N 2.61Å
135D95.9Very high93.7Very high1 Ų153.8 Ų53.81%0.00531%0.307CS..Hα-helixtrans-70.1-44.7178-173.841000112.6L132 K133 S137 R138 M139 Y358 Y359 V367 K371L132-D135 PolarHBondContact O-N 2.84Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 2.83Å; D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.34Å; D135-R138 WeakPolarHBondContact O-CB 3.48Å; D135-R138 PolarHBondContact O-N 3.44Å; D135-R138 IonicContact OD1-CZ 3.71Å; D135-R138 VanDerWaalsContact OD1-CZ 3.3Å; D135-R138 IonicContact OD1-NE 2.6Å; D135-R138 PolarHBondContact OD1-NE 2.99Å; D135-R138 IonicContact OD1-NH2 3.31Å; D135-R138 PolarHBondContact OD1-NH2 2.78Å; D135-M139 PolarHBondContact O-N 3.39Å; D135-M139 VanDerWaalsContact O-N 3.15Å; D135-M139 WeakPolarHBondContact OD2-CE 3.45Å; D135-Y358 WeakPolarHBondContact OD1-CE1 3.25Å; D135-Y359 PolarHBondContact OD2-OH 2.98Å; D135-V367 HydrophobicContact CB-CG1 3.69Å; D135-K371 WeakPolarHBondContact OD2-CE 3.32Å
136F96.3Very high94.2Very high22 Ų2246.5 Ų46.510%0.09628%0.279CS..Hα-helixtrans-62.9-39171.6-72.4-68.4000111.5L132 K133 R138 M139 G140 L141 F166 K371L132-F136 VanDerWaalsContact O-CD2 3.26Å; L132-F136 WeakPolarHBondContact O-CD2 3.18Å; L132-F136 PolarHBondContact O-N 2.95Å; K133-F136 PolarHBondContact O-N 2.71Å; F136-R138 PolarHBondContact O-N 3.28Å; F136-M139 CarbonylContact O-C 3.47Å; F136-M139 WeakPolarHBondContact O-CB 3.42Å; F136-M139 PolarHBondContact O-N 2.7Å; F136-G140 PolarHBondContact O-N 2.83Å; F136-L141 HydrophobicContact CB-CB 4.27Å; F136-L141 HydrophobicContact CB-CD1 4.36Å; F136-L141 HydrophobicContact CD1-CD1 3.73Å; F136-L141 WeakPolarHBondContact O-CB 3.22Å; F136-L141 PolarHBondContact O-N 2.9Å; F136-F166 HydrophobicContact CB-CD2 4.3Å; F136-F166 HydrophobicContact CB-CE2 3.58Å; F136-F166 HydrophobicContact CB-CZ 3.94Å; F136-F166 AromaticContact CD1-CD2 3.68Å; F136-F166 HydrophobicContact CD1-CD2 3.68Å; F136-F166 AromaticContact CD1-CE2 3.86Å; F136-F166 HydrophobicContact CD1-CE2 3.86Å; F136-F166 HydrophobicContact CD1-CG 4.41Å; F136-F166 AromaticContact CD2-CD2 3.9Å; F136-F166 HydrophobicContact CD2-CD2 3.9Å; F136-F166 AromaticContact CD2-CE2 3.59Å; F136-F166 HydrophobicContact CD2-CE2 3.59Å; F136-F166 AromaticContact CE1-CD2 3.86Å; F136-F166 HydrophobicContact CE1-CD2 3.86Å; F136-F166 HydrophobicContact CE1-CE2 4.42Å; F136-F166 HydrophobicContact CE2-CD2 4.08Å; F136-F166 HydrophobicContact CE2-CE2 4.19Å; F136-F166 AromaticContact CG-CD2 3.7Å; F136-F166 HydrophobicContact CG-CD2 3.7Å; F136-F166 AromaticContact CG-CE2 3.4Å; F136-F166 HydrophobicContact CG-CE2 3.4Å; F136-F166 VanDerWaalsContact CG-CE2 3.4Å; F136-F166 HydrophobicContact CG-CZ 4.24Å; F136-F166 HydrophobicContact CZ-CD2 4.05Å; F136-K371 HydrophobicContact CE1-CD 4.48Å; F136-K371 HydrophobicContact CE2-CD 4.18Å; F136-K371 HydrophobicContact CZ-CD 3.93Å
137S96.5Very high94.5Very high73 Ų7348.5 Ų48.551%0.5129%0.287SS..Hα-helixtrans-63.3-36.9174.1-61.10000113.1K133 A134 D135 M139 G140 L141K133-S137 WeakPolarHBondContact O-CB 3.44Å; K133-S137 PolarHBondContact O-N 3.11Å; K133-S137 PolarHBondContact O-OG 2.96Å; A134-S137 PolarHBondContact O-N 3.31Å; D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.34Å; S137-M139 VanDerWaalsContact C-N 3.29Å; S137-M139 PolarHBondContact O-N 3.24Å; S137-G140 WeakPolarHBondContact O-CA 3.49Å; S137-G140 PolarHBondContact O-N 2.99Å; S137-L141 WeakPolarHBondContact CA-O 3.18Å
138R96Very high94.9Very high65 Ų6549.8 Ų49.825%0.24530%0.296CS..Hα-helixtrans-62.7-34.4173.6179.3-16567.882.3-0.1112.4A134 D135 F136 G140 K196 D356 Y358A134-R138 WeakPolarHBondContact O-CB 3.4Å; A134-R138 PolarHBondContact O-N 2.61Å; D135-R138 WeakPolarHBondContact O-CB 3.48Å; D135-R138 PolarHBondContact O-N 3.44Å; D135-R138 IonicContact OD1-CZ 3.71Å; D135-R138 VanDerWaalsContact OD1-CZ 3.3Å; D135-R138 IonicContact OD1-NE 2.6Å; D135-R138 PolarHBondContact OD1-NE 2.99Å; D135-R138 IonicContact OD1-NH2 3.31Å; D135-R138 PolarHBondContact OD1-NH2 2.78Å; F136-R138 PolarHBondContact O-N 3.28Å; R138-G140 PolarHBondContact O-N 2.9Å; R138-K196 PolarHBondContact O-NZ 2.84Å; R138-D356 IonicContact CZ-OD2 2.78Å; R138-D356 IonicContact NH1-OD1 3.52Å; R138-D356 PolarHBondContact NH1-OD1 2.6Å; R138-D356 IonicContact NH1-OD2 3.59Å; R138-D356 PolarHBondContact NH1-OD2 3.42Å; R138-D356 IonicContact NH2-OD2 3.54Å; R138-D356 PolarHBondContact NH2-OD2 2.67Å; R138-Y358 VanDerWaalsContact NE-CD1 3.31Å
139M96Very high95.1Very high5 Ų546.7 Ų46.73%0.02527%0.271CS..THydrogen-bonded Turntrans-74.4-5.2170.3-63-179.4-131.400113.3D135 F136 S137 L141 Y193 Y194 Y359D135-M139 PolarHBondContact O-N 3.39Å; D135-M139 VanDerWaalsContact O-N 3.15Å; D135-M139 WeakPolarHBondContact OD2-CE 3.45Å; F136-M139 CarbonylContact O-C 3.47Å; F136-M139 WeakPolarHBondContact O-CB 3.42Å; F136-M139 PolarHBondContact O-N 2.7Å; S137-M139 VanDerWaalsContact C-N 3.29Å; S137-M139 PolarHBondContact O-N 3.24Å; M139-L141 HydrophobicContact CB-CD1 4.04Å; M139-L141 HydrophobicContact CB-CG 4.41Å; M139-Y193 HydrophobicContact CE-CD2 4.33Å; M139-Y193 HydrophobicContact SD-CD2 3.77Å; M139-Y193 HydrophobicContact SD-CE2 4.26Å; M139-Y193 HydrophobicContact SD-CG 4.5Å; M139-Y194 PolarHBondContact SD-N 3.02Å; M139-Y359 WeakPolarHBondContact CE-OH 3.29Å
140G96.3Very high95.1Very high36 Ų3649.3 Ų49.337%0.37129%0.292SS..THydrogen-bonded Turntrans79.142.3-178.300000113.2F136 S137 R138 N143F136-G140 PolarHBondContact O-N 2.83Å; S137-G140 WeakPolarHBondContact O-CA 3.49Å; S137-G140 PolarHBondContact O-N 2.99Å; R138-G140 PolarHBondContact O-N 2.9Å; G140-N143 WeakPolarHBondContact O-CB 3.45Å; G140-N143 PolarHBondContact O-ND2 3.21Å
141L96.5Very high95.2Very high5 Ų549.9 Ų49.93%0.02630%0.295CS..  trans-121.8144.9178.3-60.1161.4000111.2F136 S137 M139 N143 W146 F166 L191 Y194F136-L141 HydrophobicContact CB-CB 4.27Å; F136-L141 HydrophobicContact CB-CD1 4.36Å; F136-L141 HydrophobicContact CD1-CD1 3.73Å; F136-L141 WeakPolarHBondContact O-CB 3.22Å; F136-L141 PolarHBondContact O-N 2.9Å; S137-L141 WeakPolarHBondContact CA-O 3.18Å; M139-L141 HydrophobicContact CB-CD1 4.04Å; M139-L141 HydrophobicContact CB-CG 4.41Å; L141-N143 WeakPolarHBondContact CD2-ND2 3.21Å; L141-W146 HydrophobicContact CD2-CB 3.43Å; L141-W146 VanDerWaalsContact CD2-CB 3.43Å; L141-W146 HydrophobicContact CD2-CG 3.94Å; L141-F166 HydrophobicContact CB-CD1 4.24Å; L141-F166 HydrophobicContact CB-CE1 3.81Å; L141-F166 HydrophobicContact CB-CZ 4.17Å; L141-L191 HydrophobicContact CD1-CD2 3.57Å; L141-L191 HydrophobicContact CD2-CD2 4.18Å; L141-Y194 HydrophobicContact CD1-CG 4.47Å; L141-Y194 HydrophobicContact CD2-CD1 4.05Å; L141-Y194 HydrophobicContact CD2-CG 4.21Å; L141-Y194 HydrophobicContact CG-CD1 4.26Å
142P96.6Very high95.4Very high91 Ų9146 Ų4659%0.59127%0.274SS*.SBendcis-67.6159.7-4.730-36.1000113W146 F166P142-W146 WeakPolarHBondContact CA-O 3.5Å; P142-W146 WeakPolarHBondContact CB-O 3.13Å; P142-F166 HydrophobicContact CB-CE1 4.07Å
143N96.1Very high95.5Very high47 Ų4749.8 Ų49.825%0.25129%0.291SS..BIsolated β-bridgetrans-148.5-175.1175.464.142.6000110.9G140 L141 Q145 W146 Y194G140-N143 WeakPolarHBondContact O-CB 3.45Å; G140-N143 PolarHBondContact O-ND2 3.21Å; L141-N143 WeakPolarHBondContact CD2-ND2 3.21Å; N143-Q145 PolarHBondContact O-N 2.83Å; N143-Q145 PolarHBondContact OD1-N 2.82Å; N143-W146 PolarHBondContact N-O 2.74Å; N143-W146 PolarHBondContact O-N 2.75Å; N143-W146 VanDerWaalsContact O-O 3.11Å; N143-W146 PolarHBondContact OD1-N 3.12Å; N143-W146 VanDerWaalsContact OD1-N 3.11Å; N143-Y194 WeakPolarHBondContact ND2-CE1 3.45Å
144A95.3Very high95.5Very high83 Ų8350.9 Ų50.969%0.68630%0.298SS*.THydrogen-bonded Turntrans-61.4-14-177.300000115.4
145Q96.8Very high95.5Very high69 Ų6949.2 Ų49.232%0.32228%0.28SS..THydrogen-bonded Turntrans-109.2-20.6179.5-59.4-57.9-25.800112.9N143 P168 D169N143-Q145 PolarHBondContact O-N 2.83Å; N143-Q145 PolarHBondContact OD1-N 2.82Å; Q145-P168 CarbonylContact O-C 3.54Å; Q145-P168 WeakPolarHBondContact O-CA 3.45Å; Q145-D169 PolarHBondContact O-N 2.59Å
146W97.9Very high95.3Very high1 Ų157 Ų570%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-139.2121.5-171.1-6993.6000111.9L141 P142 N143 V167 P168 L191 Y194 A201 C203 I226 S229L141-W146 HydrophobicContact CD2-CB 3.43Å; L141-W146 VanDerWaalsContact CD2-CB 3.43Å; L141-W146 HydrophobicContact CD2-CG 3.94Å; P142-W146 WeakPolarHBondContact CA-O 3.5Å; P142-W146 WeakPolarHBondContact CB-O 3.13Å; N143-W146 PolarHBondContact N-O 2.74Å; N143-W146 PolarHBondContact O-N 2.75Å; N143-W146 VanDerWaalsContact O-O 3.11Å; N143-W146 PolarHBondContact OD1-N 3.12Å; N143-W146 VanDerWaalsContact OD1-N 3.11Å; W146-V167 WeakPolarHBondContact CA-O 3.21Å; W146-P168 HydrophobicContact CE3-CG 4.46Å; W146-P168 HydrophobicContact CH2-CG 3.97Å; W146-P168 HydrophobicContact CZ3-CG 3.89Å; W146-L191 HydrophobicContact CD2-CD1 4.29Å; W146-L191 HydrophobicContact CD2-CD2 3.95Å; W146-L191 HydrophobicContact CE3-CB 3.98Å; W146-L191 HydrophobicContact CE3-CD1 4.14Å; W146-L191 HydrophobicContact CE3-CD2 3.79Å; W146-L191 HydrophobicContact CE3-CG 4.2Å; W146-L191 HydrophobicContact CG-CD2 4.31Å; W146-L191 HydrophobicContact CH2-CB 4.46Å; W146-L191 HydrophobicContact CH2-CD1 3.88Å; W146-L191 HydrophobicContact CZ2-CD1 3.99Å; W146-L191 HydrophobicContact CZ3-CB 3.77Å; W146-L191 HydrophobicContact CZ3-CD1 3.94Å; W146-L191 HydrophobicContact CZ3-CD2 4.33Å; W146-L191 HydrophobicContact CZ3-CG 4.24Å; W146-Y194 AromaticContact CD1-CD2 3.91Å; W146-Y194 AromaticContact CD1-CE2 3.68Å; W146-Y194 AromaticContact NE1-CD2 3.7Å; W146-Y194 AromaticContact NE1-CE2 3.53Å; W146-A201 HydrophobicContact CH2-CB 4.33Å; W146-A201 HydrophobicContact CZ2-CB 3.65Å; W146-C203 VanDerWaalsContact CH2-SG 3.53Å; W146-I226 HydrophobicContact CH2-CG1 4.18Å; W146-I226 HydrophobicContact CH2-CG2 4.44Å; W146-S229 WeakPolarHBondContact CZ2-OG 3.31Å
147K96.5Very high95.2Very high60 Ų6057.1 Ų57.126%0.26132%0.316SS..EExtended strand (participates in β ladder)trans-114.2156.2179.268.9-177.1168.3-157.10111.8F166 V167 P168 D169 A171K147-F166 WeakPolarHBondContact O-CA 3.4Å; K147-V167 HydrophobicContact CG-CG2 3.94Å; K147-V167 PolarHBondContact N-O 3.33Å; K147-V167 PolarHBondContact O-N 3.39Å; K147-P168 WeakPolarHBondContact CE-O 3.42Å; K147-D169 WeakPolarHBondContact CD-OD1 3.45Å; K147-D169 WeakPolarHBondContact CE-O 3.47Å; K147-D169 PolarHBondContact NZ-O 2.89Å; K147-A171 WeakPolarHBondContact CE-O 3.47Å; K147-A171 PolarHBondContact NZ-O 3.47Å
148L96.1Very high95.3Very high70 Ų7053.7 Ų53.737%0.36629%0.293SS..EExtended strand (participates in β ladder)trans-79.8125.1167.8-176.566000109.5E164 F166L148-E164 HydrophobicContact CD1-CB 3.93Å; L148-E164 HydrophobicContact CD1-CG 4.43Å; L148-E164 HydrophobicContact CD2-CG 4.41Å; L148-F166 HydrophobicContact CB-CD1 4.44Å; L148-F166 HydrophobicContact CB-CE1 4.04Å; L148-F166 HydrophobicContact CB-CZ 4.2Å; L148-F166 HydrophobicContact CD1-CD2 4.08Å; L148-F166 HydrophobicContact CD1-CE2 3.9Å; L148-F166 HydrophobicContact CD1-CZ 4.18Å
149S93.7Very high95.3Very high8 Ų854 Ų546%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-99.8127.3179.8-174.50000112V151 L165 L176S149-V151 PolarHBondContact O-N 2.96Å; S149-V151 WeakPolarHBondContact OG-CB 3.35Å; S149-V151 WeakPolarHBondContact OG-CG1 3.39Å; S149-V151 PolarHBondContact OG-N 3.15Å; S149-L165 PolarHBondContact N-O 3.22Å; S149-L176 WeakPolarHBondContact OG-CD1 3.49Å
150P90.9Very high95.3Very high96 Ų9654.2 Ų54.262%0.62330%0.301SS*.G310 helixtrans-79.11.2173.134.3-36000112.9N152 Q153P150-N152 PolarHBondContact O-N 3.39Å; P150-Q153 VanDerWaalsContact O-CB 3.26Å; P150-Q153 WeakPolarHBondContact O-CB 3.48Å; P150-Q153 PolarHBondContact O-N 3.25Å
151V94.1Very high95.3Very high35 Ų3552.5 Ų52.521%0.21228%0.283CS..G310 helixtrans-57-29.5-169.682.40000113.3S149 V157 L176 V177 F188S149-V151 PolarHBondContact O-N 2.96Å; S149-V151 WeakPolarHBondContact OG-CB 3.35Å; S149-V151 WeakPolarHBondContact OG-CG1 3.39Å; S149-V151 PolarHBondContact OG-N 3.15Å; V151-V157 HydrophobicContact CG1-CG2 4.49Å; V151-V157 HydrophobicContact CG2-CG2 3.96Å; V151-V157 WeakPolarHBondContact O-CG2 3.49Å; V151-L176 HydrophobicContact CB-CD1 4.22Å; V151-L176 HydrophobicContact CG1-CB 4.46Å; V151-L176 HydrophobicContact CG1-CD1 4Å; V151-L176 HydrophobicContact CG2-CB 4.48Å; V151-V177 HydrophobicContact CG2-CG2 3.91Å; V151-F188 HydrophobicContact CG1-CE1 4.22Å; V151-F188 HydrophobicContact CG1-CZ 3.93Å
152N95.8Very high95.3Very high0 Ų052.7 Ų52.70%028%0.284CS..G310 helixtrans-106.413.8178.8-154.844.5000114.4P150 Q154 Y155 V157 S158 P162 A163 L165P150-N152 PolarHBondContact O-N 3.39Å; N152-Q154 PolarHBondContact O-N 2.9Å; N152-Y155 PolarHBondContact O-N 2.96Å; N152-Y155 WeakPolarHBondContact OD1-CA 3.33Å; N152-V157 PolarHBondContact OD1-N 2.92Å; N152-S158 PolarHBondContact ND2-O 3.36Å; N152-S158 PolarHBondContact OD1-N 3.05Å; N152-S158 PolarHBondContact OD1-O 3.09Å; N152-P162 PolarHBondContact ND2-O 3.15Å; N152-A163 CarbonylContact C-O 3.55Å; N152-A163 VanDerWaalsContact C-O 3.32Å; N152-A163 WeakPolarHBondContact O-CA 3.39Å; N152-L165 HydrophobicContact CB-CD1 3.75Å
153Q93.8Very high95.2Very high120 Ų12048.4 Ų48.456%0.56126%0.257SS*.THydrogen-bonded Turntrans-56.8-30.2-173.2-168.3-178.924.600113.8P150 A163P150-Q153 VanDerWaalsContact O-CB 3.26Å; P150-Q153 WeakPolarHBondContact O-CB 3.48Å; P150-Q153 PolarHBondContact O-N 3.25Å; Q153-A163 VanDerWaalsContact CA-O 3.31Å; Q153-A163 WeakPolarHBondContact CA-O 3.17Å; Q153-A163 PolarHBondContact N-O 2.84Å
154Q93.3Very high95Very high128 Ų12849.8 Ų49.860%0.59826%0.262SS*.THydrogen-bonded Turntrans-106.215.3176.9-62.7-179.7-6.600113.3N152 K156N152-Q154 PolarHBondContact O-N 2.9Å; Q154-K156 HydrophobicContact CB-CD 4.22Å; Q154-K156 HydrophobicContact CB-CG 4.18Å; Q154-K156 PolarHBondContact O-N 3.43Å; Q154-K156 VanDerWaalsContact O-N 3.13Å; Q154-K156 VanDerWaalsContact OE1-CE 3.23Å
155Y95.1Very high95Very high18 Ų1846 Ų467%0.07123%0.23CC..SBendtrans5724.7-179.6-54.8-77.6000115.5N152 Y161 A163 Q443 R444 R447N152-Y155 PolarHBondContact O-N 2.96Å; N152-Y155 WeakPolarHBondContact OD1-CA 3.33Å; Y155-Y161 WeakPolarHBondContact CD1-O 3.48Å; Y155-Y161 WeakPolarHBondContact CE1-O 3.42Å; Y155-A163 HydrophobicContact CE1-CB 4.01Å; Y155-A163 HydrophobicContact CE2-CB 4.32Å; Y155-Q443 HydrophobicContact CE1-CB 4.38Å; Y155-Q443 PolarHBondContact OH-OE1 2.8Å; Y155-R444 HydrophobicContact CD1-CB 3.8Å; Y155-R444 HydrophobicContact CD1-CG 4.42Å; Y155-R444 HydrophobicContact CD2-CB 3.82Å; Y155-R444 HydrophobicContact CD2-CG 3.67Å; Y155-R444 HydrophobicContact CE1-CB 3.98Å; Y155-R444 HydrophobicContact CE2-CB 4Å; Y155-R444 HydrophobicContact CE2-CG 4.16Å; Y155-R444 HydrophobicContact CG-CB 3.71Å; Y155-R444 HydrophobicContact CG-CG 3.81Å; Y155-R447 WeakPolarHBondContact OH-CD 3.35Å; Y155-R447 PolarHBondContact OH-NE 3.43Å; Y155-R447 PolarHBondContact OH-NH1 3.26Å
156K92.6Very high95.1Very high165 Ų16543.5 Ų43.572%0.71722%0.218SC*.SBendtrans-79.3-22.8-178-74.7176.6170.2167.90113.8Q154Q154-K156 HydrophobicContact CB-CD 4.22Å; Q154-K156 HydrophobicContact CB-CG 4.18Å; Q154-K156 PolarHBondContact O-N 3.43Å; Q154-K156 VanDerWaalsContact O-N 3.13Å; Q154-K156 VanDerWaalsContact OE1-CE 3.23Å
157V94.3Very high95.1Very high24 Ų2443.5 Ų43.515%0.14522%0.218CC..SBendtrans-93.3-45.6-178.4173.70000110.5V151 N152 V177 S180 G186 F188V151-V157 HydrophobicContact CG1-CG2 4.49Å; V151-V157 HydrophobicContact CG2-CG2 3.96Å; V151-V157 WeakPolarHBondContact O-CG2 3.49Å; N152-V157 PolarHBondContact OD1-N 2.92Å; V157-V177 HydrophobicContact CG2-CG2 4.37Å; V157-S180 WeakPolarHBondContact CG1-OG 3.5Å; V157-G186 WeakPolarHBondContact O-CA 3.4Å; V157-F188 HydrophobicContact CG1-CD1 3.75Å; V157-F188 HydrophobicContact CG1-CE1 3.64Å
158S96.6Very high95.2Very high2 Ų240.6 Ų40.61%0.01421%0.206CC..  trans-145.2122.6166.9-173.90000110.3N152 T160 R185 G186 R187N152-S158 PolarHBondContact ND2-O 3.36Å; N152-S158 PolarHBondContact OD1-N 3.05Å; N152-S158 PolarHBondContact OD1-O 3.09Å; S158-T160 PolarHBondContact O-N 2.62Å; S158-T160 PolarHBondContact OG-OG1 2.97Å; S158-R185 PolarHBondContact OG-O 3.37Å; S158-G186 WeakPolarHBondContact CB-O 3.47Å; S158-R187 WeakPolarHBondContact OG-CG 3.42Å
159D96.1Very high95.2Very high71 Ų7141.2 Ų41.238%0.3821%0.209SC..THydrogen-bonded Turntrans-68.5-19.7177.261.6-15.1000113.7N442D159-N442 PolarHBondContact O-OD1 2.84Å
160T96.5Very high95.3Very high10 Ų1044.5 Ų44.56%0.06123%0.232CC..THydrogen-bonded Turntrans-104.30.1-177.155.50000114.5S158 R187 W341 F376 G377 N442S158-T160 PolarHBondContact O-N 2.62Å; S158-T160 PolarHBondContact OG-OG1 2.97Å; T160-R187 VanDerWaalsContact C-NH1 3.3Å; T160-R187 VanDerWaalsContact CB-NH1 3.28Å; T160-R187 PolarHBondContact O-NH1 3.26Å; T160-R187 WeakPolarHBondContact OG1-CD 3.35Å; T160-R187 PolarHBondContact OG1-NH1 2.83Å; T160-W341 HydrophobicContact CG2-CZ3 4.08Å; T160-F376 CarbonylContact O-C 3.49Å; T160-G377 WeakPolarHBondContact O-CA 3.23Å; T160-N442 HydrophobicContact CG2-CB 4.36Å
161Y97.1Very high95.6Very high0 Ų040 Ų400%020%0.203CC..SBendtrans-97.1162.8171.3-93.74000112Y155 L165 R187 F188 A190 R204 F376Y155-Y161 WeakPolarHBondContact CD1-O 3.48Å; Y155-Y161 WeakPolarHBondContact CE1-O 3.42Å; Y161-L165 HydrophobicContact CD2-CD1 3.69Å; Y161-L165 HydrophobicContact CD2-CD2 3.89Å; Y161-L165 HydrophobicContact CD2-CG 4.47Å; Y161-L165 HydrophobicContact CE2-CD2 4.34Å; Y161-L165 HydrophobicContact CG-CD1 4.39Å; Y161-L165 HydrophobicContact CG-CD2 4.3Å; Y161-R187 HydrophobicContact CD1-CB 4.41Å; Y161-R187 HydrophobicContact CD1-CG 4.03Å; Y161-R187 HydrophobicContact CE1-CB 3.86Å; Y161-R187 HydrophobicContact CE1-CG 3.91Å; Y161-R187 VanDerWaalsContact CE1-CZ 3.46Å; Y161-R187 HydrophobicContact CE2-CB 4.29Å; Y161-F188 HydrophobicContact CD2-CE1 4.44Å; Y161-F188 VanDerWaalsContact CE2-O 3.24Å; Y161-F188 WeakPolarHBondContact CE2-O 3.42Å; Y161-F188 PolarHBondContact OH-O 2.75Å; Y161-A190 HydrophobicContact CE2-CB 3.97Å; Y161-R204 PolarHBondContact OH-O 3.01Å; Y161-F376 AromaticContact CD1-CD1 3.8Å; Y161-F376 HydrophobicContact CD1-CD1 3.8Å; Y161-F376 HydrophobicContact CD1-CE1 4.3Å; Y161-F376 AromaticContact CE1-CD1 3.66Å; Y161-F376 HydrophobicContact CE1-CD1 3.66Å; Y161-F376 HydrophobicContact CE1-CE1 4.05Å
162P95.5Very high95.7Very high8 Ų840.4 Ų40.45%0.05221%0.21CC..  trans-64.4159.8170.629.4-35.5000111.2N152 E164 L165 S375 F376 Q443N152-P162 PolarHBondContact ND2-O 3.15Å; P162-E164 VanDerWaalsContact C-N 3.25Å; P162-E164 PolarHBondContact O-N 3.44Å; P162-L165 HydrophobicContact CG-CD2 3.59Å; P162-L165 HydrophobicContact CG-CG 4.17Å; P162-S375 VanDerWaalsContact CD-O 3.27Å; P162-S375 WeakPolarHBondContact CD-O 3.3Å; P162-F376 HydrophobicContact CG-CD1 4.47Å; P162-F376 HydrophobicContact CG-CE1 4.37Å; P162-Q443 VanDerWaalsContact CA-OE1 3.29Å
163A94.7Very high95.7Very high1 Ų144.3 Ų44.31%0.00824%0.235CC..SBendtrans-68.8-26.5177.800000113.3N152 Q153 Y155 R447N152-A163 CarbonylContact C-O 3.55Å; N152-A163 VanDerWaalsContact C-O 3.32Å; N152-A163 WeakPolarHBondContact O-CA 3.39Å; Q153-A163 VanDerWaalsContact CA-O 3.31Å; Q153-A163 WeakPolarHBondContact CA-O 3.17Å; Q153-A163 PolarHBondContact N-O 2.84Å; Y155-A163 HydrophobicContact CE1-CB 4.01Å; Y155-A163 HydrophobicContact CE2-CB 4.32Å; A163-R447 VanDerWaalsContact CB-NH1 3.3Å
164E92.7Very high95.8Very high77 Ų7743 Ų4336%0.3624%0.238SC..SBendtrans-116.3119.2-175.9-81.4178.8153.700107.8K133 L148 P162K133-E164 WeakPolarHBondContact CE-OE1 3.32Å; K133-E164 WeakPolarHBondContact CE-OE2 3.25Å; K133-E164 VanDerWaalsContact NZ-CD 3.32Å; K133-E164 IonicContact NZ-OE1 2.74Å; K133-E164 PolarHBondContact NZ-OE1 3.13Å; K133-E164 IonicContact NZ-OE2 3.08Å; K133-E164 PolarHBondContact NZ-OE2 3.06Å; L148-E164 HydrophobicContact CD1-CB 3.93Å; L148-E164 HydrophobicContact CD1-CG 4.43Å; L148-E164 HydrophobicContact CD2-CG 4.41Å; P162-E164 VanDerWaalsContact C-N 3.25Å; P162-E164 PolarHBondContact O-N 3.44Å
165L95.8Very high96Very high3 Ų337.8 Ų37.82%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-133.4132.6-173.3-73.1163.4000110.4S149 N152 Y161 P162 F188 A190 F376S149-L165 PolarHBondContact N-O 3.22Å; N152-L165 HydrophobicContact CB-CD1 3.75Å; Y161-L165 HydrophobicContact CD2-CD1 3.69Å; Y161-L165 HydrophobicContact CD2-CD2 3.89Å; Y161-L165 HydrophobicContact CD2-CG 4.47Å; Y161-L165 HydrophobicContact CE2-CD2 4.34Å; Y161-L165 HydrophobicContact CG-CD1 4.39Å; Y161-L165 HydrophobicContact CG-CD2 4.3Å; P162-L165 HydrophobicContact CG-CD2 3.59Å; P162-L165 HydrophobicContact CG-CG 4.17Å; L165-F188 HydrophobicContact CD1-CE1 3.9Å; L165-F188 HydrophobicContact CD1-CZ 3.57Å; L165-A190 HydrophobicContact CD2-CB 3.85Å; L165-F376 HydrophobicContact CD2-CE1 3.88Å; L165-F376 HydrophobicContact CD2-CZ 4.26Å
166F97.6Very high96.1Very high17 Ų1737 Ų378%0.07521%0.211CC..EExtended strand (participates in β ladder)trans-86.1132.9171.5-78.7-88.3000111.1F136 L141 P142 K147 L148 L191F136-F166 HydrophobicContact CB-CD2 4.3Å; F136-F166 HydrophobicContact CB-CE2 3.58Å; F136-F166 HydrophobicContact CB-CZ 3.94Å; F136-F166 AromaticContact CD1-CD2 3.68Å; F136-F166 HydrophobicContact CD1-CD2 3.68Å; F136-F166 AromaticContact CD1-CE2 3.86Å; F136-F166 HydrophobicContact CD1-CE2 3.86Å; F136-F166 HydrophobicContact CD1-CG 4.41Å; F136-F166 AromaticContact CD2-CD2 3.9Å; F136-F166 HydrophobicContact CD2-CD2 3.9Å; F136-F166 AromaticContact CD2-CE2 3.59Å; F136-F166 HydrophobicContact CD2-CE2 3.59Å; F136-F166 AromaticContact CE1-CD2 3.86Å; F136-F166 HydrophobicContact CE1-CD2 3.86Å; F136-F166 HydrophobicContact CE1-CE2 4.42Å; F136-F166 HydrophobicContact CE2-CD2 4.08Å; F136-F166 HydrophobicContact CE2-CE2 4.19Å; F136-F166 AromaticContact CG-CD2 3.7Å; F136-F166 HydrophobicContact CG-CD2 3.7Å; F136-F166 AromaticContact CG-CE2 3.4Å; F136-F166 HydrophobicContact CG-CE2 3.4Å; F136-F166 VanDerWaalsContact CG-CE2 3.4Å; F136-F166 HydrophobicContact CG-CZ 4.24Å; F136-F166 HydrophobicContact CZ-CD2 4.05Å; L141-F166 HydrophobicContact CB-CD1 4.24Å; L141-F166 HydrophobicContact CB-CE1 3.81Å; L141-F166 HydrophobicContact CB-CZ 4.17Å; P142-F166 HydrophobicContact CB-CE1 4.07Å; K147-F166 WeakPolarHBondContact O-CA 3.4Å; L148-F166 HydrophobicContact CB-CD1 4.44Å; L148-F166 HydrophobicContact CB-CE1 4.04Å; L148-F166 HydrophobicContact CB-CZ 4.2Å; L148-F166 HydrophobicContact CD1-CD2 4.08Å; L148-F166 HydrophobicContact CD1-CE2 3.9Å; L148-F166 HydrophobicContact CD1-CZ 4.18Å; F166-L191 HydrophobicContact CB-CB 3.83Å; F166-L191 HydrophobicContact CB-CD2 3.74Å; F166-L191 HydrophobicContact CB-CG 4.41Å; F166-L191 HydrophobicContact CG-CD2 4.44Å; F166-L191 WeakPolarHBondContact O-CB 3.41Å; F166-L191 PolarHBondContact O-N 3.46Å; F166-L191 VanDerWaalsContact O-N 3.08Å
167V98Very high96.4Very high0 Ų031.5 Ų31.50%019%0.191CC..EExtended strand (participates in β ladder)trans-138.3161.9-177.1-57.60000109.6W146 K147 L176 F188 M222W146-V167 WeakPolarHBondContact CA-O 3.21Å; K147-V167 HydrophobicContact CG-CG2 3.94Å; K147-V167 PolarHBondContact N-O 3.33Å; K147-V167 PolarHBondContact O-N 3.39Å; V167-L176 HydrophobicContact CB-CD2 4.17Å; V167-L176 HydrophobicContact CG1-CD1 4.37Å; V167-L176 HydrophobicContact CG1-CD2 3.98Å; V167-L176 HydrophobicContact CG2-CD1 4.21Å; V167-L176 HydrophobicContact CG2-CD2 4.42Å; V167-F188 HydrophobicContact CG1-CE2 3.82Å; V167-F188 HydrophobicContact CG1-CZ 4.49Å; V167-M222 HydrophobicContact CB-CE 4.24Å; V167-M222 HydrophobicContact CG1-CE 4.28Å
168P98.1Very high96.5Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-57.6142.6175-23.734.6000111.7Q145 W146 K147 S170 A171 A225 I226Q145-P168 CarbonylContact O-C 3.54Å; Q145-P168 WeakPolarHBondContact O-CA 3.45Å; W146-P168 HydrophobicContact CE3-CG 4.46Å; W146-P168 HydrophobicContact CH2-CG 3.97Å; W146-P168 HydrophobicContact CZ3-CG 3.89Å; K147-P168 WeakPolarHBondContact CE-O 3.42Å; P168-S170 PolarHBondContact O-N 3.25Å; P168-A171 HydrophobicContact CB-CB 4.3Å; P168-A171 WeakPolarHBondContact O-CB 3.31Å; P168-A171 PolarHBondContact O-N 2.74Å; P168-A171 VanDerWaalsContact O-N 3.07Å; P168-A225 HydrophobicContact CB-CB 3.9Å; P168-A225 HydrophobicContact CG-CB 4.02Å; P168-I226 HydrophobicContact CG-CB 4.43Å; P168-I226 HydrophobicContact CG-CG1 3.66Å
169D97.1Very high96.6Very high82 Ų8230.9 Ų30.944%0.43919%0.19SC..THydrogen-bonded Turntrans-62.9-34.9178.7-17367.8000112.1Q145 K147 A171Q145-D169 PolarHBondContact O-N 2.59Å; K147-D169 WeakPolarHBondContact CD-OD1 3.45Å; K147-D169 WeakPolarHBondContact CE-O 3.47Å; K147-D169 PolarHBondContact NZ-O 2.89Å; D169-A171 PolarHBondContact O-N 2.89Å
170S96.8Very high96.7Very high77 Ų7727.9 Ų27.954%0.53818%0.175SC..THydrogen-bonded Turntrans-66.8-17.2174.253.90000114.6P168 A172P168-S170 PolarHBondContact O-N 3.25Å; S170-A172 PolarHBondContact O-N 3.35Å
171A96.9Very high96.7Very high2 Ų235.1 Ų35.12%0.01721%0.205CC..  trans-75.9116.2179.900000111.2K147 P168 D169 L176 M222 A225K147-A171 WeakPolarHBondContact CE-O 3.47Å; K147-A171 PolarHBondContact NZ-O 3.47Å; P168-A171 HydrophobicContact CB-CB 4.3Å; P168-A171 WeakPolarHBondContact O-CB 3.31Å; P168-A171 PolarHBondContact O-N 2.74Å; P168-A171 VanDerWaalsContact O-N 3.07Å; D169-A171 PolarHBondContact O-N 2.89Å; A171-L176 HydrophobicContact CB-CD2 3.96Å; A171-M222 HydrophobicContact CB-SD 3.85Å; A171-A225 HydrophobicContact CB-CB 4.32Å
172A95.5Very high96.8Very high43 Ų4336 Ų3636%0.35521%0.209SC..  trans-80.9152.5176.400000111.7S170 P174 V175 L176S170-A172 PolarHBondContact O-N 3.35Å; A172-P174 VanDerWaalsContact C-CD 3.45Å; A172-V175 HydrophobicContact CB-CG2 4.21Å; A172-V175 VanDerWaalsContact O-CB 3.29Å; A172-V175 WeakPolarHBondContact O-CB 3.37Å; A172-V175 PolarHBondContact O-N 3.2Å; A172-L176 PolarHBondContact O-N 2.87Å
173P95.1Very high96.9Very high83 Ų8335.7 Ų35.754%0.53921%0.207SC..Hα-helixtrans-53.6-37.7-179.2-25.834000115.9V175 L176 V177P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 2.88Å; P173-L176 PolarHBondContact O-N 2.8Å; P173-V177 WeakPolarHBondContact O-CG2 3.44Å; P173-V177 PolarHBondContact O-N 3.08Å; P173-V177 VanDerWaalsContact O-N 3.12Å
174P97.1Very high97Very high93 Ų9336.2 Ų36.260%0.60421%0.21SC*.Hα-helixtrans-61.4-35.9174-24.736.1000113.5A172 V177 G178A172-P174 VanDerWaalsContact C-CD 3.45Å; P174-V177 PolarHBondContact O-N 2.74Å; P174-G178 PolarHBondContact O-N 2.88Å
175V97.8Very high97.2Very high18 Ų1839 Ų3911%0.10922%0.218CC..Hα-helixtrans-63.5-45.5177.7-176.50000110.1A172 P173 V177 G178 S179 E218 Q221 M222A172-V175 HydrophobicContact CB-CG2 4.21Å; A172-V175 VanDerWaalsContact O-CB 3.29Å; A172-V175 WeakPolarHBondContact O-CB 3.37Å; A172-V175 PolarHBondContact O-N 3.2Å; P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 2.88Å; V175-V177 PolarHBondContact O-N 3.18Å; V175-G178 PolarHBondContact O-N 3.5Å; V175-S179 WeakPolarHBondContact O-CB 3.4Å; V175-S179 PolarHBondContact O-N 3.08Å; V175-E218 WeakPolarHBondContact CG1-O 3.35Å; V175-Q221 HydrophobicContact CG1-CB 3.9Å; V175-M222 HydrophobicContact CG1-CB 4.05Å
176L97.1Very high97.3Very high2 Ų239.3 Ų39.31%0.0122%0.221CC..Hα-helixtrans-60.6-43.6176.7-55.7-179.4000112.1S149 V151 V167 A171 A172 P173 S180 F188 M222S149-L176 WeakPolarHBondContact OG-CD1 3.49Å; V151-L176 HydrophobicContact CB-CD1 4.22Å; V151-L176 HydrophobicContact CG1-CB 4.46Å; V151-L176 HydrophobicContact CG1-CD1 4Å; V151-L176 HydrophobicContact CG2-CB 4.48Å; V167-L176 HydrophobicContact CB-CD2 4.17Å; V167-L176 HydrophobicContact CG1-CD1 4.37Å; V167-L176 HydrophobicContact CG1-CD2 3.98Å; V167-L176 HydrophobicContact CG2-CD1 4.21Å; V167-L176 HydrophobicContact CG2-CD2 4.42Å; A171-L176 HydrophobicContact CB-CD2 3.96Å; A172-L176 PolarHBondContact O-N 2.87Å; P173-L176 PolarHBondContact O-N 2.8Å; L176-S180 WeakPolarHBondContact O-CB 3.27Å; L176-S180 PolarHBondContact O-N 2.84Å; L176-S180 PolarHBondContact O-OG 2.83Å; L176-F188 HydrophobicContact CD2-CD2 4.44Å; L176-F188 HydrophobicContact CD2-CE2 4.15Å; L176-M222 HydrophobicContact CD2-CE 3.59Å; L176-M222 HydrophobicContact CD2-SD 3.6Å; L176-M222 VanDerWaalsContact CD2-SD 3.6Å
177V97.5Very high97.3Very high49 Ų4938.5 Ų38.530%0.29722%0.218SC..Hα-helixtrans-74.5-30.8-179.31750000112.3V151 V157 P173 P174 V175 S180 K181V151-V177 HydrophobicContact CG2-CG2 3.91Å; V157-V177 HydrophobicContact CG2-CG2 4.37Å; P173-V177 WeakPolarHBondContact O-CG2 3.44Å; P173-V177 PolarHBondContact O-N 3.08Å; P173-V177 VanDerWaalsContact O-N 3.12Å; P174-V177 PolarHBondContact O-N 2.74Å; V175-V177 PolarHBondContact O-N 3.18Å; V177-S180 WeakPolarHBondContact CA-OG 3.44Å; V177-S180 PolarHBondContact O-OG 2.89Å; V177-K181 WeakPolarHBondContact O-CG 3.43Å; V177-K181 PolarHBondContact O-N 2.96Å
178G97.9Very high97.3Very high12 Ų1238.5 Ų38.512%0.12422%0.218CC..Hα-helixtrans-68.3-54.917200000111.3P174 V175 S180 K181 F182P174-G178 PolarHBondContact O-N 2.88Å; V175-G178 PolarHBondContact O-N 3.5Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.04Å; G178-K181 WeakPolarHBondContact O-CB 3.4Å; G178-K181 PolarHBondContact O-N 2.9Å; G178-F182 PolarHBondContact O-N 2.8Å
179S98.1Very high97.3Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-52.8-44.1174.5172.70000111.8V175 K181 F182 R183 P189 D219V175-S179 WeakPolarHBondContact O-CB 3.4Å; V175-S179 PolarHBondContact O-N 3.08Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.14Å; S179-F182 CarbonylContact O-C 3.52Å; S179-F182 PolarHBondContact O-N 3.07Å; S179-F182 VanDerWaalsContact O-N 3.09Å; S179-R183 WeakPolarHBondContact O-CB 3.45Å; S179-R183 WeakPolarHBondContact O-CG 3.45Å; S179-R183 PolarHBondContact O-N 3.07Å; S179-P189 VanDerWaalsContact OG-CD 3.3Å; S179-P189 WeakPolarHBondContact OG-CD 3.33Å; S179-D219 WeakPolarHBondContact CB-OD1 3.42Å; S179-D219 PolarHBondContact OG-OD1 3.41Å
180S97.8Very high97.3Very high9 Ų934.6 Ų34.66%0.06320%0.197CC..Hα-helixtrans-61.3-37.3177.672.30000113.5V157 L176 V177 G178 F182 R183 G186V157-S180 WeakPolarHBondContact CG1-OG 3.5Å; L176-S180 WeakPolarHBondContact O-CB 3.27Å; L176-S180 PolarHBondContact O-N 2.84Å; L176-S180 PolarHBondContact O-OG 2.83Å; V177-S180 WeakPolarHBondContact CA-OG 3.44Å; V177-S180 PolarHBondContact O-OG 2.89Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.04Å; S180-F182 VanDerWaalsContact C-N 3.27Å; S180-F182 PolarHBondContact O-N 2.98Å; S180-R183 PolarHBondContact O-N 2.66Å; S180-G186 VanDerWaalsContact O-CA 3.29Å; S180-G186 WeakPolarHBondContact O-CA 3.08Å
181K97.6Very high97.4Very high161 Ų16131 Ų3170%0.717%0.172SC*.Hα-helixtrans-68.1-30.5177-71.5168.3-178.4178.70112V177 G178 S179V177-K181 WeakPolarHBondContact O-CG 3.43Å; V177-K181 PolarHBondContact O-N 2.96Å; G178-K181 WeakPolarHBondContact O-CB 3.4Å; G178-K181 PolarHBondContact O-N 2.9Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.14Å
182F97.9Very high97.4Very high19 Ų1930.9 Ų30.98%0.08317%0.171CC..Hα-helixtrans-86.6-12.4177.1-170.1-112.5000113.8G178 S179 S180 P208 L209 A214 C216 D219 Y263G178-F182 PolarHBondContact O-N 2.8Å; S179-F182 CarbonylContact O-C 3.52Å; S179-F182 PolarHBondContact O-N 3.07Å; S179-F182 VanDerWaalsContact O-N 3.09Å; S180-F182 VanDerWaalsContact C-N 3.27Å; S180-F182 PolarHBondContact O-N 2.98Å; F182-P208 HydrophobicContact CD1-CB 3.92Å; F182-P208 HydrophobicContact CE1-CB 3.4Å; F182-P208 VanDerWaalsContact CE1-CB 3.4Å; F182-P208 HydrophobicContact CZ-CB 4.07Å; F182-P208 CarbonylContact O-C 3.59Å; F182-P208 WeakPolarHBondContact O-CA 3.32Å; F182-L209 HydrophobicContact CD2-CB 4.31Å; F182-L209 VanDerWaalsContact CE2-O 3.31Å; F182-L209 WeakPolarHBondContact CE2-O 3.23Å; F182-L209 WeakPolarHBondContact O-CB 3.44Å; F182-L209 VanDerWaalsContact O-CG 3.3Å; F182-L209 WeakPolarHBondContact O-CG 3.29Å; F182-L209 PolarHBondContact O-N 3.03Å; F182-A214 HydrophobicContact CE2-CB 4.31Å; F182-C216 HydrophobicContact CB-CB 3.65Å; F182-C216 HydrophobicContact CD1-CB 3.54Å; F182-C216 HydrophobicContact CD2-CB 3.61Å; F182-C216 HydrophobicContact CE1-CB 3.99Å; F182-C216 HydrophobicContact CE2-CB 4.07Å; F182-C216 HydrophobicContact CG-CB 3.3Å; F182-C216 HydrophobicContact CZ-CB 4.23Å; F182-D219 HydrophobicContact CD1-CB 3.78Å; F182-D219 HydrophobicContact CE1-CB 4.47Å; F182-Y263 WeakPolarHBondContact CE1-OH 3.47Å
183R98Very high97.6Very high2 Ų229.8 Ų29.81%0.00816%0.158CC..BIsolated β-bridgetrans-101.8133.3179.9-69.1-84.3177.9176.4-5.3110.4S179 S180 R185 G186 S205 S206 D219 E258S179-R183 WeakPolarHBondContact O-CB 3.45Å; S179-R183 WeakPolarHBondContact O-CG 3.45Å; S179-R183 PolarHBondContact O-N 3.07Å; S180-R183 PolarHBondContact O-N 2.66Å; R183-R185 PolarHBondContact O-N 3.09Å; R183-G186 PolarHBondContact O-N 2.91Å; R183-S205 PolarHBondContact NH1-OG 3.39Å; R183-S206 VanDerWaalsContact CD-O 3.28Å; R183-S206 WeakPolarHBondContact CD-O 3.45Å; R183-S206 PolarHBondContact NH1-O 3.45Å; R183-D219 WeakPolarHBondContact CG-OD1 3.5Å; R183-D219 IonicContact CZ-OD1 3.16Å; R183-D219 IonicContact CZ-OD2 2.79Å; R183-D219 VanDerWaalsContact CZ-OD2 3.27Å; R183-D219 IonicContact NE-OD1 3.09Å; R183-D219 PolarHBondContact NE-OD1 3.34Å; R183-D219 IonicContact NE-OD2 3.42Å; R183-D219 PolarHBondContact NE-OD2 2.91Å; R183-D219 VanDerWaalsContact NE-OD2 3.09Å; R183-D219 IonicContact NH2-OD1 3.27Å; R183-D219 IonicContact NH2-OD2 3.6Å; R183-D219 PolarHBondContact NH2-OD2 3.15Å; R183-E258 IonicContact CZ-OE1 2.83Å; R183-E258 IonicContact NH1-OE1 2.74Å; R183-E258 PolarHBondContact NH1-OE1 2.94Å; R183-E258 IonicContact NH2-OE1 3.52Å; R183-E258 PolarHBondContact NH2-OE1 3.12Å
184S97.1Very high97.7Very high12 Ų1226.3 Ų26.38%0.08413%0.134CC..G310 helixtrans-55.1127.2-175.2-1550000111.7G186 R187 S206 Q207S184-G186 VanDerWaalsContact C-N 3.26Å; S184-G186 PolarHBondContact O-N 2.81Å; S184-R187 PolarHBondContact O-N 2.87Å; S184-S206 WeakPolarHBondContact CA-OG 3.39Å; S184-S206 PolarHBondContact N-OG 3.36Å; S184-S206 VanDerWaalsContact O-CB 3.29Å; S184-S206 WeakPolarHBondContact O-CB 3.34Å; S184-S206 PolarHBondContact O-OG 2.85Å; S184-Q207 PolarHBondContact N-O 3.48Å
185R96.4Very high97.7Very high135 Ų13522.5 Ų22.551%0.50911%0.11SC..G310 helixtrans60.226-176.8-50179.6180-91.13.6115.3S158 R183 R187 D339S158-R185 PolarHBondContact OG-O 3.37Å; R183-R185 PolarHBondContact O-N 3.09Å; R185-R187 HydrophobicContact CB-CG 4.42Å; R185-R187 PolarHBondContact O-N 2.95Å; R185-D339 IonicContact CZ-OD1 3.6Å; R185-D339 IonicContact NE-OD1 2.77Å; R185-D339 PolarHBondContact NE-OD1 3.31Å; R185-D339 IonicContact NH2-OD1 3.54Å
186G97Very high97.5Very high9 Ų927.5 Ų27.59%0.09313%0.13CC..G310 helixtrans771.5178.200000114.8V157 S158 S180 R183 S184 F188V157-G186 WeakPolarHBondContact O-CA 3.4Å; S158-G186 WeakPolarHBondContact CB-O 3.47Å; S180-G186 VanDerWaalsContact O-CA 3.29Å; S180-G186 WeakPolarHBondContact O-CA 3.08Å; R183-G186 PolarHBondContact O-N 2.91Å; S184-G186 VanDerWaalsContact C-N 3.26Å; S184-G186 PolarHBondContact O-N 2.81Å; G186-F188 WeakPolarHBondContact O-CD1 3.22Å; G186-F188 PolarHBondContact O-N 3.09Å
187R98.2Very high97.2Very high0 Ų035 Ų350%017%0.165CC..  trans-81.268.3-170.1-62.7170.770.5820.8111S158 T160 Y161 S184 R185 S205 S206 D339 G340 F376S158-R187 WeakPolarHBondContact OG-CG 3.42Å; T160-R187 VanDerWaalsContact C-NH1 3.3Å; T160-R187 VanDerWaalsContact CB-NH1 3.28Å; T160-R187 PolarHBondContact O-NH1 3.26Å; T160-R187 WeakPolarHBondContact OG1-CD 3.35Å; T160-R187 PolarHBondContact OG1-NH1 2.83Å; Y161-R187 HydrophobicContact CD1-CB 4.41Å; Y161-R187 HydrophobicContact CD1-CG 4.03Å; Y161-R187 HydrophobicContact CE1-CB 3.86Å; Y161-R187 HydrophobicContact CE1-CG 3.91Å; Y161-R187 VanDerWaalsContact CE1-CZ 3.46Å; Y161-R187 HydrophobicContact CE2-CB 4.29Å; S184-R187 PolarHBondContact O-N 2.87Å; R185-R187 HydrophobicContact CB-CG 4.42Å; R185-R187 PolarHBondContact O-N 2.95Å; R187-S205 WeakPolarHBondContact O-CA 3.33Å; R187-S205 WeakPolarHBondContact O-CB 3.37Å; R187-S206 PolarHBondContact O-N 2.86Å; R187-S206 PolarHBondContact O-OG 3.35Å; R187-D339 WeakPolarHBondContact CD-O 3.5Å; R187-D339 PolarHBondContact NE-O 2.85Å; R187-G340 PolarHBondContact NH2-O 2.82Å; R187-F376 PolarHBondContact NH1-O 2.85Å; R187-F376 VanDerWaalsContact NH1-O 3.14Å; R187-F376 PolarHBondContact NH2-O 3.49Å
188F98.1Very high97.1Very high0 Ų033.6 Ų33.60%016%0.156CC..  trans-63.2158.417968.3-93.1000112.2V151 V157 Y161 L165 V167 L176 G186 A190 M222V151-F188 HydrophobicContact CG1-CE1 4.22Å; V151-F188 HydrophobicContact CG1-CZ 3.93Å; V157-F188 HydrophobicContact CG1-CD1 3.75Å; V157-F188 HydrophobicContact CG1-CE1 3.64Å; Y161-F188 HydrophobicContact CD2-CE1 4.44Å; Y161-F188 VanDerWaalsContact CE2-O 3.24Å; Y161-F188 WeakPolarHBondContact CE2-O 3.42Å; Y161-F188 PolarHBondContact OH-O 2.75Å; L165-F188 HydrophobicContact CD1-CE1 3.9Å; L165-F188 HydrophobicContact CD1-CZ 3.57Å; V167-F188 HydrophobicContact CG1-CE2 3.82Å; V167-F188 HydrophobicContact CG1-CZ 4.49Å; L176-F188 HydrophobicContact CD2-CD2 4.44Å; L176-F188 HydrophobicContact CD2-CE2 4.15Å; G186-F188 WeakPolarHBondContact O-CD1 3.22Å; G186-F188 PolarHBondContact O-N 3.09Å; F188-A190 HydrophobicContact CE2-CB 4.46Å; F188-A190 PolarHBondContact O-N 3.03Å; F188-A190 VanDerWaalsContact O-N 3.11Å; F188-M222 HydrophobicContact CD2-CE 4.26Å
189P98.4Very high97Very high0 Ų035.6 Ų35.60%016%0.162CC..  trans-52.8115.5177.1-28.737.8000113.6S179 R204 M222 L223 I226 L334S179-P189 VanDerWaalsContact OG-CD 3.3Å; S179-P189 WeakPolarHBondContact OG-CD 3.33Å; P189-R204 WeakPolarHBondContact CA-O 3.44Å; P189-M222 HydrophobicContact CB-CE 4.42Å; P189-M222 HydrophobicContact CB-CG 4.19Å; P189-M222 HydrophobicContact CG-CG 4.21Å; P189-M222 WeakPolarHBondContact O-CE 3.45Å; P189-L223 HydrophobicContact CG-CD1 3.74Å; P189-I226 HydrophobicContact CB-CD1 3.43Å; P189-I226 VanDerWaalsContact CB-CD1 3.43Å; P189-I226 HydrophobicContact CG-CD1 4.49Å; P189-L334 HydrophobicContact CB-CD1 3.93Å; P189-L334 HydrophobicContact CG-CD1 4.29Å; P189-L334 HydrophobicContact CG-CD2 4.17Å
190A98.1Very high97Very high1 Ų135.6 Ų35.61%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-132.9151.7178.700000111.8Y161 L165 F188 C203 R204 F376Y161-A190 HydrophobicContact CE2-CB 3.97Å; L165-A190 HydrophobicContact CD2-CB 3.85Å; F188-A190 HydrophobicContact CE2-CB 4.46Å; F188-A190 PolarHBondContact O-N 3.03Å; F188-A190 VanDerWaalsContact O-N 3.11Å; A190-C203 CarbonylContact O-C 3.48Å; A190-C203 VanDerWaalsContact O-CA 3.24Å; A190-C203 WeakPolarHBondContact O-CA 3.42Å; A190-R204 PolarHBondContact N-O 2.89Å; A190-R204 PolarHBondContact O-N 2.81Å; A190-F376 HydrophobicContact CB-CE1 4.4Å
191L98.3Very high97Very high1 Ų135.1 Ų35.11%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-69.8129.8-176.6-172.467.8000112.3L141 W146 F166 Y193 A201L141-L191 HydrophobicContact CD1-CD2 3.57Å; L141-L191 HydrophobicContact CD2-CD2 4.18Å; W146-L191 HydrophobicContact CD2-CD1 4.29Å; W146-L191 HydrophobicContact CD2-CD2 3.95Å; W146-L191 HydrophobicContact CE3-CB 3.98Å; W146-L191 HydrophobicContact CE3-CD1 4.14Å; W146-L191 HydrophobicContact CE3-CD2 3.79Å; W146-L191 HydrophobicContact CE3-CG 4.2Å; W146-L191 HydrophobicContact CG-CD2 4.31Å; W146-L191 HydrophobicContact CH2-CB 4.46Å; W146-L191 HydrophobicContact CH2-CD1 3.88Å; W146-L191 HydrophobicContact CZ2-CD1 3.99Å; W146-L191 HydrophobicContact CZ3-CB 3.77Å; W146-L191 HydrophobicContact CZ3-CD1 3.94Å; W146-L191 HydrophobicContact CZ3-CD2 4.33Å; W146-L191 HydrophobicContact CZ3-CG 4.24Å; F166-L191 HydrophobicContact CB-CB 3.83Å; F166-L191 HydrophobicContact CB-CD2 3.74Å; F166-L191 HydrophobicContact CB-CG 4.41Å; F166-L191 HydrophobicContact CG-CD2 4.44Å; F166-L191 WeakPolarHBondContact O-CB 3.41Å; F166-L191 PolarHBondContact O-N 3.46Å; F166-L191 VanDerWaalsContact O-N 3.08Å; L191-Y193 VanDerWaalsContact CD1-O 3.31Å; L191-Y193 WeakPolarHBondContact CD1-O 3.41Å; L191-A201 HydrophobicContact CD1-CB 3.72Å
192S97.4Very high97.1Very high0 Ų027.5 Ų27.50%013%0.125CC..EExtended strand (participates in β ladder)trans-106-35.4172.7-140.90000112.2I202 R204 K371 D372S192-I202 WeakPolarHBondContact CA-O 3.17Å; S192-I202 WeakPolarHBondContact CB-O 3.49Å; S192-I202 PolarHBondContact N-O 2.96Å; S192-R204 WeakPolarHBondContact OG-CD 3.33Å; S192-K371 PolarHBondContact O-NZ 3.1Å; S192-D372 PolarHBondContact OG-OD1 3Å; S192-D372 PolarHBondContact OG-OD2 2.98Å
193Y98.4Very high97.1Very high19 Ų1926.6 Ų26.68%0.07512%0.122CC..EExtended strand (participates in β ladder)trans-154.2145.4180173.4-99.8000111.2M139 L191 A201 I202 V327 L355 D356 Y359M139-Y193 HydrophobicContact CE-CD2 4.33Å; M139-Y193 HydrophobicContact SD-CD2 3.77Å; M139-Y193 HydrophobicContact SD-CE2 4.26Å; M139-Y193 HydrophobicContact SD-CG 4.5Å; L191-Y193 VanDerWaalsContact CD1-O 3.31Å; L191-Y193 WeakPolarHBondContact CD1-O 3.41Å; Y193-A201 WeakPolarHBondContact O-CA 3.43Å; Y193-I202 HydrophobicContact CD1-CD1 4.1Å; Y193-I202 HydrophobicContact CD1-CG1 4.25Å; Y193-I202 PolarHBondContact N-O 2.75Å; Y193-I202 PolarHBondContact O-N 2.88Å; Y193-V327 HydrophobicContact CE1-CG1 4.25Å; Y193-L355 HydrophobicContact CD1-CD1 4.07Å; Y193-L355 HydrophobicContact CE1-CB 4.33Å; Y193-L355 HydrophobicContact CE1-CD1 3.84Å; Y193-D356 HydrophobicContact CE2-CB 3.91Å; Y193-Y359 HydrophobicContact CD2-CE2 4.06Å; Y193-Y359 HydrophobicContact CE2-CE2 4.19Å
194Y98.3Very high97.1Very high10 Ų1026.5 Ų26.54%0.03912%0.121CC..EExtended strand (participates in β ladder)trans-132.2127.7177.2-179.1-109000111.4M139 L141 N143 W146 K196 H199 A201M139-Y194 PolarHBondContact SD-N 3.02Å; L141-Y194 HydrophobicContact CD1-CG 4.47Å; L141-Y194 HydrophobicContact CD2-CD1 4.05Å; L141-Y194 HydrophobicContact CD2-CG 4.21Å; L141-Y194 HydrophobicContact CG-CD1 4.26Å; N143-Y194 WeakPolarHBondContact ND2-CE1 3.45Å; W146-Y194 AromaticContact CD1-CD2 3.91Å; W146-Y194 AromaticContact CD1-CE2 3.68Å; W146-Y194 AromaticContact NE1-CD2 3.7Å; W146-Y194 AromaticContact NE1-CE2 3.53Å; Y194-K196 HydrophobicContact CE1-CB 4.29Å; Y194-H199 HydrophobicContact CE2-CB 4.35Å; Y194-H199 PolarHBondContact OH-ND1 3Å; Y194-A201 HydrophobicContact CD2-CB 4.36Å
195S96.6Very high97.2Very high14 Ų1426 Ų2610%0.09812%0.117CC..  trans-91.6102.4174.9176.40000110.3E197 N198 H199 A200S195-E197 PolarHBondContact O-N 3.09Å; S195-N198 WeakPolarHBondContact CB-OD1 3.19Å; S195-N198 PolarHBondContact O-N 3.17Å; S195-N198 PolarHBondContact OG-OD1 3.39Å; S195-H199 VanDerWaalsContact O-CA 3.27Å; S195-H199 WeakPolarHBondContact O-CA 3.44Å; S195-H199 PolarHBondContact O-N 2.82Å; S195-A200 WeakPolarHBondContact CB-O 3.27Å; S195-A200 PolarHBondContact N-O 2.97Å
196K92.9Very high97.3Very high123 Ų12319.5 Ų19.554%0.5359%0.093SC..THydrogen-bonded Turntrans-63.8-19.818065.6-172.6175.1-169.70115R138 Y194R138-K196 PolarHBondContact O-NZ 2.84Å; Y194-K196 HydrophobicContact CE1-CB 4.29Å
197E91.8Very high97.3Very high158 Ų15819.1 Ų19.174%0.7389%0.089SC*.THydrogen-bonded Turntrans-79.4-31.1-177.1-62.7-179.9-176.200112.8S195 R232S195-E197 PolarHBondContact O-N 3.09Å; E197-R232 PolarHBondContact O-NH1 3.28Å; E197-R232 VanDerWaalsContact O-NH1 3.11Å; E197-R232 PolarHBondContact O-NH2 3.42Å
198N94.6Very high97.2Very high21 Ų2119.1 Ų19.111%0.1129%0.089CC..THydrogen-bonded Turntrans-130.81.1-176.269.94.6000115.5S195 A200 R232 V327 A328S195-N198 WeakPolarHBondContact CB-OD1 3.19Å; S195-N198 PolarHBondContact O-N 3.17Å; S195-N198 PolarHBondContact OG-OD1 3.39Å; N198-A200 PolarHBondContact O-N 3.05Å; N198-A200 WeakPolarHBondContact OD1-CB 3.38Å; N198-A200 PolarHBondContact OD1-N 3.06Å; N198-A200 VanDerWaalsContact OD1-N 3.17Å; N198-R232 WeakPolarHBondContact O-CD 3.46Å; N198-V327 PolarHBondContact ND2-O 2.82Å; N198-A328 PolarHBondContact ND2-O 3.47Å
199H95.8Very high97.1Very high53 Ų5322 Ų2225%0.24510%0.104CC..  trans647.8-178.6-43.8-68.5000115.6Y194 S195 R232Y194-H199 HydrophobicContact CE2-CB 4.35Å; Y194-H199 PolarHBondContact OH-ND1 3Å; S195-H199 VanDerWaalsContact O-CA 3.27Å; S195-H199 WeakPolarHBondContact O-CA 3.44Å; S195-H199 PolarHBondContact O-N 2.82Å; H199-R232 PolarHBondContact NE2-NH2 2.94Å
200A97.8Very high96.8Very high0 Ų022.6 Ų22.60%011%0.108CC..  trans-70.4140.5174.100000111.3S195 N198 V327S195-A200 WeakPolarHBondContact CB-O 3.27Å; S195-A200 PolarHBondContact N-O 2.97Å; N198-A200 PolarHBondContact O-N 3.05Å; N198-A200 WeakPolarHBondContact OD1-CB 3.38Å; N198-A200 PolarHBondContact OD1-N 3.06Å; N198-A200 VanDerWaalsContact OD1-N 3.17Å; A200-V327 HydrophobicContact CB-CB 4.48Å; A200-V327 HydrophobicContact CB-CG1 3.95Å; A200-V327 WeakPolarHBondContact CB-O 3.42Å
201A98.4Very high96.4Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-122.7143.2-177.700000111.8W146 L191 Y193 Y194 S332 V333W146-A201 HydrophobicContact CH2-CB 4.33Å; W146-A201 HydrophobicContact CZ2-CB 3.65Å; L191-A201 HydrophobicContact CD1-CB 3.72Å; Y193-A201 WeakPolarHBondContact O-CA 3.43Å; Y194-A201 HydrophobicContact CD2-CB 4.36Å; A201-S332 PolarHBondContact N-OG 3.06Å; A201-S332 CarbonylContact O-C 3.47Å; A201-S332 WeakPolarHBondContact O-CA 3.49Å; A201-V333 PolarHBondContact O-N 3.2Å
202I98.8Very high95.6Very high0 Ų029.8 Ų29.80%014%0.142CC..EExtended strand (participates in β ladder)trans-98.6113.6160.3-56.3175.1000107.1S192 Y193 I323 V327 V333 V335 A351 L355S192-I202 WeakPolarHBondContact CA-O 3.17Å; S192-I202 WeakPolarHBondContact CB-O 3.49Å; S192-I202 PolarHBondContact N-O 2.96Å; Y193-I202 HydrophobicContact CD1-CD1 4.1Å; Y193-I202 HydrophobicContact CD1-CG1 4.25Å; Y193-I202 PolarHBondContact N-O 2.75Å; Y193-I202 PolarHBondContact O-N 2.88Å; I202-I323 HydrophobicContact CD1-CG2 3.77Å; I202-I323 HydrophobicContact CG1-CG2 4.03Å; I202-I323 HydrophobicContact CG2-CG2 4.49Å; I202-V327 HydrophobicContact CD1-CG2 4.19Å; I202-V327 HydrophobicContact CG1-CG2 3.61Å; I202-V333 WeakPolarHBondContact CA-O 3.43Å; I202-V335 HydrophobicContact CG2-CG2 4.06Å; I202-A351 HydrophobicContact CD1-CB 3.87Å; I202-L355 HydrophobicContact CD1-CD1 3.76Å
203C98.8Very high95.1Very high1 Ų134.9 Ų34.91%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-100.6155.8168.4-65.10000110.3W146 A190 I226 V333 L334 V335W146-C203 VanDerWaalsContact CH2-SG 3.53Å; A190-C203 CarbonylContact O-C 3.48Å; A190-C203 VanDerWaalsContact O-CA 3.24Å; A190-C203 WeakPolarHBondContact O-CA 3.42Å; C203-I226 HydrophobicContact CB-CD1 4.18Å; C203-V333 PolarHBondContact N-O 3.42Å; C203-L334 HydrophobicContact CB-CD1 3.73Å; C203-V335 PolarHBondContact O-N 3.05Å
204R98.6Very high94.7Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-132.2147.8175.860.6-167.6-71.4174.7-7.9111.7Y161 P189 A190 S192 V335 T344 D372 F376Y161-R204 PolarHBondContact OH-O 3.01Å; P189-R204 WeakPolarHBondContact CA-O 3.44Å; A190-R204 PolarHBondContact N-O 2.89Å; A190-R204 PolarHBondContact O-N 2.81Å; S192-R204 WeakPolarHBondContact OG-CD 3.33Å; R204-V335 VanDerWaalsContact CA-O 3.27Å; R204-V335 WeakPolarHBondContact CA-O 3.48Å; R204-T344 HydrophobicContact CB-CG2 3.74Å; R204-D372 VanDerWaalsContact NH1-CG 3.33Å; R204-D372 PolarHBondContact NH1-O 3.18Å; R204-D372 IonicContact NH1-OD2 3.43Å; R204-D372 PolarHBondContact NH1-OD2 3.5Å; R204-D372 PolarHBondContact NH2-O 2.7Å; R204-F376 HydrophobicContact CG-CD1 4.38Å; R204-F376 HydrophobicContact CG-CE1 4.1Å; R204-F376 HydrophobicContact CG-CZ 4.38Å
205S98.6Very high94.5Very high0 Ų042.9 Ų42.90%022%0.218CC..  trans-152.3179.8176.761.50000111.6R183 R187 V335 H336 G340R183-S205 PolarHBondContact NH1-OG 3.39Å; R187-S205 WeakPolarHBondContact O-CA 3.33Å; R187-S205 WeakPolarHBondContact O-CB 3.37Å; S205-V335 PolarHBondContact N-O 3.19Å; S205-V335 VanDerWaalsContact N-O 3.1Å; S205-H336 VanDerWaalsContact O-CB 3.28Å; S205-H336 WeakPolarHBondContact O-CB 3.45Å; S205-H336 WeakPolarHBondContact OG-CB 3.33Å; S205-G340 VanDerWaalsContact O-CA 3.29Å; S205-G340 WeakPolarHBondContact O-CA 3.46Å
206S98.3Very high94.5Very high0 Ų042.8 Ų42.80%022%0.217CC..PPolyproline II helixtrans-91.6171.5157.161.60000111.5R183 S184 R187R183-S206 VanDerWaalsContact CD-O 3.28Å; R183-S206 WeakPolarHBondContact CD-O 3.45Å; R183-S206 PolarHBondContact NH1-O 3.45Å; S184-S206 WeakPolarHBondContact CA-OG 3.39Å; S184-S206 PolarHBondContact N-OG 3.36Å; S184-S206 VanDerWaalsContact O-CB 3.29Å; S184-S206 WeakPolarHBondContact O-CB 3.34Å; S184-S206 PolarHBondContact O-OG 2.85Å; R187-S206 PolarHBondContact O-N 2.86Å; R187-S206 PolarHBondContact O-OG 3.35Å
207Q97.4Very high94.7Very high0 Ų041.7 Ų41.70%022%0.217CC..PPolyproline II helixtrans-57.5149172.568.5-165.4-46.800112.7S184 N250 K255 C337 S338S184-Q207 PolarHBondContact N-O 3.48Å; Q207-N250 PolarHBondContact NE2-OD1 2.62Å; Q207-K255 HydrophobicContact CG-CB 4.12Å; Q207-K255 VanDerWaalsContact OE1-CB 3.26Å; Q207-C337 WeakPolarHBondContact CB-O 3.48Å; Q207-C337 PolarHBondContact N-O 2.88Å; Q207-S338 VanDerWaalsContact CG-O 3.29Å; Q207-S338 WeakPolarHBondContact CG-O 3.39Å; Q207-S338 PolarHBondContact N-O 2.94Å; Q207-S338 VanDerWaalsContact NE2-CA 3.32Å; Q207-S338 PolarHBondContact NE2-O 2.92Å
208P97.1Very high95Very high0 Ų037.9 Ų37.90%020%0.199CC..BIsolated β-bridgetrans-68.5156.6167.130.6-34.5000111.8F182 S210 K255 G256 E258F182-P208 HydrophobicContact CD1-CB 3.92Å; F182-P208 HydrophobicContact CE1-CB 3.4Å; F182-P208 VanDerWaalsContact CE1-CB 3.4Å; F182-P208 HydrophobicContact CZ-CB 4.07Å; F182-P208 CarbonylContact O-C 3.59Å; F182-P208 WeakPolarHBondContact O-CA 3.32Å; P208-S210 PolarHBondContact O-N 2.99Å; P208-K255 CarbonylContact O-C 3.41Å; P208-G256 PolarHBondContact O-N 3.45Å; P208-G256 VanDerWaalsContact O-N 3.1Å; P208-E258 WeakPolarHBondContact CD-OE2 3.36Å; P208-E258 HydrophobicContact CG-CG 4.42Å; P208-E258 WeakPolarHBondContact CG-OE2 3.49Å
209L95.5Very high95.2Very high61 Ų6136.9 Ų36.932%0.31919%0.194SC..  trans-92.846.8173.8-60.6179.2000110.7F182 G211 G254 K255F182-L209 HydrophobicContact CD2-CB 4.31Å; F182-L209 VanDerWaalsContact CE2-O 3.31Å; F182-L209 WeakPolarHBondContact CE2-O 3.23Å; F182-L209 WeakPolarHBondContact O-CB 3.44Å; F182-L209 VanDerWaalsContact O-CG 3.3Å; F182-L209 WeakPolarHBondContact O-CG 3.29Å; F182-L209 PolarHBondContact O-N 3.03Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 2.64Å; L209-G254 CarbonylContact C-O 3.5Å; L209-K255 HydrophobicContact CD2-CB 4.41Å; L209-K255 HydrophobicContact CD2-CG 3.79Å
210S90.8Very high95.3Very high13 Ų1335.3 Ų35.39%0.09119%0.186CC..  trans-70.6-23.9-173.763.20000114.1P208 F212 S213 A214 K255 G256P208-S210 PolarHBondContact O-N 2.99Å; S210-F212 PolarHBondContact O-N 3.28Å; S210-S213 PolarHBondContact O-N 3.02Å; S210-A214 WeakPolarHBondContact O-CA 3.35Å; S210-A214 VanDerWaalsContact O-CB 3.27Å; S210-A214 WeakPolarHBondContact O-CB 3.47Å; S210-A214 PolarHBondContact O-N 3.09Å; S210-K255 PolarHBondContact OG-O 3.06Å; S210-G256 WeakPolarHBondContact OG-CA 3.38Å
211G89.6Confident95.3Very high9 Ų939.1 Ų39.19%0.09320%0.204CC..THydrogen-bonded Turntrans45-136.2-166.700000111.7L209 R251 G254 K255L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 2.64Å; G211-R251 WeakPolarHBondContact O-CG 3.39Å; G211-R251 PolarHBondContact O-NE 2.82Å; G211-G254 PolarHBondContact N-O 3.32Å; G211-K255 WeakPolarHBondContact CA-O 3.34Å; G211-K255 PolarHBondContact N-O 3Å
212F83.1Confident95.2Very high144 Ų14439.1 Ų39.163%0.63220%0.204SC*.THydrogen-bonded Turntrans-73.9-40.3173.8-66-76.5000113.5S210 R251 A252S210-F212 PolarHBondContact O-N 3.28Å; F212-R251 PolarHBondContact O-NH2 3.48Å; F212-A252 HydrophobicContact CZ-CB 4.17Å
213S86.3Confident95.2Very high107 Ų10739.3 Ų39.375%0.74821%0.205SC*.THydrogen-bonded Turntrans-150.13.5-168.356.60000116S210S210-S213 PolarHBondContact O-N 3.02Å
214A90.9Very high95.1Very high50 Ų5043.3 Ų43.341%0.41322%0.224SC..  trans-67.4138.417800000111.1F182 S210F182-A214 HydrophobicContact CE2-CB 4.31Å; S210-A214 WeakPolarHBondContact O-CA 3.35Å; S210-A214 VanDerWaalsContact O-CB 3.27Å; S210-A214 WeakPolarHBondContact O-CB 3.47Å; S210-A214 PolarHBondContact O-N 3.09Å
215R94.2Very high95Very high147 Ų14743.7 Ų43.756%0.55523%0.227SC*.  trans-130.1145.3-173.2-168.3-179.3172.1174-0.9108.9E220R215-E220 WeakPolarHBondContact CD-OE1 3.21Å; R215-E220 WeakPolarHBondContact CG-OE1 3.25Å; R215-E220 IonicContact CZ-OE1 3.65Å; R215-E220 IonicContact CZ-OE2 3.26Å; R215-E220 VanDerWaalsContact CZ-OE2 3.26Å; R215-E220 VanDerWaalsContact NE-CD 3.27Å; R215-E220 IonicContact NE-OE1 2.75Å; R215-E220 PolarHBondContact NE-OE1 3.4Å; R215-E220 IonicContact NE-OE2 2.99Å; R215-E220 PolarHBondContact NE-OE2 3.05Å; R215-E220 IonicContact NH2-OE1 3.75Å; R215-E220 IonicContact NH2-OE2 2.68Å; R215-E220 PolarHBondContact NH2-OE2 3.32Å
216C96.3Very high95Very high11 Ų1143.7 Ų43.77%0.07423%0.227CC..  trans-133.6112.8176.7175.70000109.2F182 E218 D219 E220F182-C216 HydrophobicContact CB-CB 3.65Å; F182-C216 HydrophobicContact CD1-CB 3.54Å; F182-C216 HydrophobicContact CD2-CB 3.61Å; F182-C216 HydrophobicContact CE1-CB 3.99Å; F182-C216 HydrophobicContact CE2-CB 4.07Å; F182-C216 HydrophobicContact CG-CB 3.3Å; F182-C216 HydrophobicContact CZ-CB 4.23Å; C216-E218 PolarHBondContact O-N 3.03Å; C216-E218 PolarHBondContact SG-OE2 3.22Å; C216-D219 HydrophobicContact CB-CB 3.99Å; C216-D219 PolarHBondContact O-N 3.48Å; C216-D219 PolarHBondContact SG-N 3.09Å; C216-D219 VanDerWaalsContact SG-N 3.4Å; C216-E220 PolarHBondContact O-N 3.18Å; C216-E220 VanDerWaalsContact O-N 3.13Å
217L96.9Very high94.9Very high101 Ų10144.6 Ų44.653%0.52923%0.232SC..Hα-helixtrans-63.7-34.4-178.5-177.763.1000111.2E220 Q221L217-E220 PolarHBondContact O-N 3.28Å; L217-Q221 WeakPolarHBondContact O-CB 3.18Å; L217-Q221 WeakPolarHBondContact O-CG 3.49Å; L217-Q221 PolarHBondContact O-N 2.8Å
218E98Very high94.9Very high77 Ų7752.5 Ų52.536%0.3626%0.262SS..Hα-helixtrans-69.9-32.6177.6-59.685.7171.200112.7V175 C216 M222V175-E218 WeakPolarHBondContact CG1-O 3.35Å; C216-E218 PolarHBondContact O-N 3.03Å; C216-E218 PolarHBondContact SG-OE2 3.22Å; E218-M222 WeakPolarHBondContact O-CB 3.44Å; E218-M222 PolarHBondContact O-N 3.34Å
219D97.9Very high94.8Very high0 Ų052.5 Ų52.50%026%0.262CS..Hα-helixtrans-74.7-37.3175-159.773.8000111.4S179 F182 R183 C216 M222 L223 Y263S179-D219 WeakPolarHBondContact CB-OD1 3.42Å; S179-D219 PolarHBondContact OG-OD1 3.41Å; F182-D219 HydrophobicContact CD1-CB 3.78Å; F182-D219 HydrophobicContact CE1-CB 4.47Å; R183-D219 WeakPolarHBondContact CG-OD1 3.5Å; R183-D219 IonicContact CZ-OD1 3.16Å; R183-D219 IonicContact CZ-OD2 2.79Å; R183-D219 VanDerWaalsContact CZ-OD2 3.27Å; R183-D219 IonicContact NE-OD1 3.09Å; R183-D219 PolarHBondContact NE-OD1 3.34Å; R183-D219 IonicContact NE-OD2 3.42Å; R183-D219 PolarHBondContact NE-OD2 2.91Å; R183-D219 VanDerWaalsContact NE-OD2 3.09Å; R183-D219 IonicContact NH2-OD1 3.27Å; R183-D219 IonicContact NH2-OD2 3.6Å; R183-D219 PolarHBondContact NH2-OD2 3.15Å; C216-D219 HydrophobicContact CB-CB 3.99Å; C216-D219 PolarHBondContact O-N 3.48Å; C216-D219 PolarHBondContact SG-N 3.09Å; C216-D219 VanDerWaalsContact SG-N 3.4Å; D219-M222 WeakPolarHBondContact O-CB 3.48Å; D219-M222 PolarHBondContact O-N 3Å; D219-L223 WeakPolarHBondContact O-CD1 3.48Å; D219-L223 PolarHBondContact O-N 3.06Å; D219-Y263 PolarHBondContact OD2-OH 3.41Å
220E97.4Very high94.9Very high20 Ų2049.8 Ų49.89%0.09325%0.247CC..Hα-helixtrans-62.9-46.9171.5-73.6162.7-156.900111.9R215 C216 L217 M222 L223 E224 Y263R215-E220 WeakPolarHBondContact CD-OE1 3.21Å; R215-E220 WeakPolarHBondContact CG-OE1 3.25Å; R215-E220 IonicContact CZ-OE1 3.65Å; R215-E220 IonicContact CZ-OE2 3.26Å; R215-E220 VanDerWaalsContact CZ-OE2 3.26Å; R215-E220 VanDerWaalsContact NE-CD 3.27Å; R215-E220 IonicContact NE-OE1 2.75Å; R215-E220 PolarHBondContact NE-OE1 3.4Å; R215-E220 IonicContact NE-OE2 2.99Å; R215-E220 PolarHBondContact NE-OE2 3.05Å; R215-E220 IonicContact NH2-OE1 3.75Å; R215-E220 IonicContact NH2-OE2 2.68Å; R215-E220 PolarHBondContact NH2-OE2 3.32Å; C216-E220 PolarHBondContact O-N 3.18Å; C216-E220 VanDerWaalsContact O-N 3.13Å; L217-E220 PolarHBondContact O-N 3.28Å; E220-M222 PolarHBondContact O-N 2.81Å; E220-L223 PolarHBondContact O-N 2.9Å; E220-E224 WeakPolarHBondContact O-CB 3.39Å; E220-E224 PolarHBondContact O-N 3.05Å; E220-Y263 HydrophobicContact CB-CD1 4.42Å; E220-Y263 HydrophobicContact CB-CE1 4.31Å; E220-Y263 HydrophobicContact CG-CD1 3.69Å; E220-Y263 HydrophobicContact CG-CE1 3.49Å; E220-Y263 VanDerWaalsContact CG-CE1 3.49Å; E220-Y263 HydrophobicContact CG-CG 4.31Å
221Q97.7Very high95Very high80 Ų8053.7 Ų53.737%0.37427%0.272SS..Hα-helixtrans-60.4-33.3172.7-75.4172.81.800112.2V175 L217 A225V175-Q221 HydrophobicContact CG1-CB 3.9Å; L217-Q221 WeakPolarHBondContact O-CB 3.18Å; L217-Q221 WeakPolarHBondContact O-CG 3.49Å; L217-Q221 PolarHBondContact O-N 2.8Å; Q221-A225 VanDerWaalsContact O-CB 3.27Å; Q221-A225 WeakPolarHBondContact O-CB 3.32Å; Q221-A225 PolarHBondContact O-N 3.49Å
222M97.9Very high95.1Very high0 Ų060.4 Ų60.40%030%0.295CS..Hα-helixtrans-68.9-43175.9-172.357.8-177.900112V167 A171 V175 L176 F188 P189 E218 D219 E220 A225 I226V167-M222 HydrophobicContact CB-CE 4.24Å; V167-M222 HydrophobicContact CG1-CE 4.28Å; A171-M222 HydrophobicContact CB-SD 3.85Å; V175-M222 HydrophobicContact CG1-CB 4.05Å; L176-M222 HydrophobicContact CD2-CE 3.59Å; L176-M222 HydrophobicContact CD2-SD 3.6Å; L176-M222 VanDerWaalsContact CD2-SD 3.6Å; F188-M222 HydrophobicContact CD2-CE 4.26Å; P189-M222 HydrophobicContact CB-CE 4.42Å; P189-M222 HydrophobicContact CB-CG 4.19Å; P189-M222 HydrophobicContact CG-CG 4.21Å; P189-M222 WeakPolarHBondContact O-CE 3.45Å; E218-M222 WeakPolarHBondContact O-CB 3.44Å; E218-M222 PolarHBondContact O-N 3.34Å; D219-M222 WeakPolarHBondContact O-CB 3.48Å; D219-M222 PolarHBondContact O-N 3Å; E220-M222 PolarHBondContact O-N 2.81Å; M222-A225 PolarHBondContact O-N 3.3Å; M222-I226 WeakPolarHBondContact O-CG1 3.3Å; M222-I226 PolarHBondContact O-N 2.74Å; M222-I226 VanDerWaalsContact O-N 3.08Å
223L97.8Very high95.7Very high4 Ų454.2 Ų54.22%0.02127%0.27CS..Hα-helixtrans-67.6-40175.1-9268.6000111.3P189 D219 E220 A225 I226 L227 V238 E258 Y263 I266 L334P189-L223 HydrophobicContact CG-CD1 3.74Å; D219-L223 WeakPolarHBondContact O-CD1 3.48Å; D219-L223 PolarHBondContact O-N 3.06Å; E220-L223 PolarHBondContact O-N 2.9Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 3.31Å; L223-I226 PolarHBondContact O-N 3.07Å; L223-L227 PolarHBondContact O-N 3.46Å; L223-V238 HydrophobicContact CD2-CG2 4.2Å; L223-E258 HydrophobicContact CD2-CG 4.23Å; L223-Y263 HydrophobicContact CB-CD1 4.36Å; L223-Y263 HydrophobicContact CD2-CD1 3.64Å; L223-Y263 HydrophobicContact CD2-CE1 3.97Å; L223-Y263 HydrophobicContact CD2-CG 4.45Å; L223-Y263 HydrophobicContact CG-CD1 4.49Å; L223-I266 HydrophobicContact CD2-CG2 4.44Å; L223-L334 HydrophobicContact CD1-CD2 3.9Å; L223-L334 HydrophobicContact CD2-CD2 3.97Å; L223-L334 HydrophobicContact CG-CD2 3.99Å
224E96.8Very high96.1Very high86 Ų8656.1 Ų56.140%0.40227%0.271SS..Hα-helixtrans-62.7-38.6173.5-176.9172.6-148.700112E220 I226 L227 R228E220-E224 WeakPolarHBondContact O-CB 3.39Å; E220-E224 PolarHBondContact O-N 3.05Å; E224-I226 VanDerWaalsContact C-N 3.34Å; E224-I226 PolarHBondContact O-N 3.08Å; E224-L227 PolarHBondContact O-N 2.91Å; E224-R228 VanDerWaalsContact CD-NH2 3.26Å; E224-R228 HydrophobicContact CG-CG 4.24Å; E224-R228 WeakPolarHBondContact O-CB 3.28Å; E224-R228 VanDerWaalsContact O-CG 3.29Å; E224-R228 WeakPolarHBondContact O-CG 3.43Å; E224-R228 PolarHBondContact O-N 3.29Å; E224-R228 IonicContact OE1-CZ 3.32Å; E224-R228 IonicContact OE1-NE 3.61Å; E224-R228 PolarHBondContact OE1-NE 2.92Å; E224-R228 VanDerWaalsContact OE1-NE 3.11Å; E224-R228 IonicContact OE1-NH2 3.88Å; E224-R228 PolarHBondContact OE1-NH2 2.89Å; E224-R228 IonicContact OE2-CZ 2.76Å; E224-R228 IonicContact OE2-NH2 3.63Å
225A97.7Very high96.3Very high7 Ų756.1 Ų56.16%0.05826%0.262CS..Hα-helixtrans-64-37.9174.300000112.2P168 A171 Q221 M222 L223 S229P168-A225 HydrophobicContact CB-CB 3.9Å; P168-A225 HydrophobicContact CG-CB 4.02Å; A171-A225 HydrophobicContact CB-CB 4.32Å; Q221-A225 VanDerWaalsContact O-CB 3.27Å; Q221-A225 WeakPolarHBondContact O-CB 3.32Å; Q221-A225 PolarHBondContact O-N 3.49Å; M222-A225 PolarHBondContact O-N 3.3Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 3.31Å; A225-S229 PolarHBondContact O-N 3.31Å; A225-S229 VanDerWaalsContact O-N 3.14Å
226I97.9Very high96.5Very high1 Ų149.1 Ų49.11%0.00524%0.236CC..Hα-helixtrans-65.7-44.9173-68.3167.8000110.7W146 P168 P189 C203 M222 L223 E224 S229 M236W146-I226 HydrophobicContact CH2-CG1 4.18Å; W146-I226 HydrophobicContact CH2-CG2 4.44Å; P168-I226 HydrophobicContact CG-CB 4.43Å; P168-I226 HydrophobicContact CG-CG1 3.66Å; P189-I226 HydrophobicContact CB-CD1 3.43Å; P189-I226 VanDerWaalsContact CB-CD1 3.43Å; P189-I226 HydrophobicContact CG-CD1 4.49Å; C203-I226 HydrophobicContact CB-CD1 4.18Å; M222-I226 WeakPolarHBondContact O-CG1 3.3Å; M222-I226 PolarHBondContact O-N 2.74Å; M222-I226 VanDerWaalsContact O-N 3.08Å; L223-I226 PolarHBondContact O-N 3.07Å; E224-I226 VanDerWaalsContact C-N 3.34Å; E224-I226 PolarHBondContact O-N 3.08Å; I226-S229 WeakPolarHBondContact O-CB 3.33Å; I226-S229 PolarHBondContact O-N 2.71Å; I226-S229 PolarHBondContact O-OG 3.32Å; I226-M236 HydrophobicContact CB-SD 4.47Å; I226-M236 HydrophobicContact CG2-CE 3.95Å; I226-M236 HydrophobicContact CG2-SD 4.18Å
227L96.8Very high96.6Very high19 Ų1950.9 Ų50.910%0.09924%0.241CC..Hα-helixtrans-58-54176.6177.360.7000111L223 E224 S229 N230 M236 N265L223-L227 PolarHBondContact O-N 3.46Å; E224-L227 PolarHBondContact O-N 2.91Å; L227-S229 PolarHBondContact O-N 2.76Å; L227-S229 VanDerWaalsContact O-N 3.14Å; L227-N230 PolarHBondContact O-N 2.85Å; L227-M236 HydrophobicContact CB-SD 4.15Å; L227-M236 HydrophobicContact CD1-CB 4.09Å; L227-M236 HydrophobicContact CD1-CG 4.32Å; L227-N265 HydrophobicContact CD2-CB 3.62Å
228R96.1Very high96.7Very high166 Ų16646 Ų4663%0.62622%0.216SC*.Hα-helixtrans-63.2-19.4-179.3-68.7176.3-178.7-1625114E224 N230E224-R228 VanDerWaalsContact CD-NH2 3.26Å; E224-R228 HydrophobicContact CG-CG 4.24Å; E224-R228 WeakPolarHBondContact O-CB 3.28Å; E224-R228 VanDerWaalsContact O-CG 3.29Å; E224-R228 WeakPolarHBondContact O-CG 3.43Å; E224-R228 PolarHBondContact O-N 3.29Å; E224-R228 IonicContact OE1-CZ 3.32Å; E224-R228 IonicContact OE1-NE 3.61Å; E224-R228 PolarHBondContact OE1-NE 2.92Å; E224-R228 VanDerWaalsContact OE1-NE 3.11Å; E224-R228 IonicContact OE1-NH2 3.88Å; E224-R228 PolarHBondContact OE1-NH2 2.89Å; E224-R228 IonicContact OE2-CZ 2.76Å; E224-R228 IonicContact OE2-NH2 3.63Å; R228-N230 PolarHBondContact O-N 2.73Å
229S96.4Very high96.7Very high0 Ų042.4 Ų42.40%020%0.199CC..THydrogen-bonded Turntrans-69.1-13.8174.380.30000113.8W146 A225 I226 L227W146-S229 WeakPolarHBondContact CZ2-OG 3.31Å; A225-S229 PolarHBondContact O-N 3.31Å; A225-S229 VanDerWaalsContact O-N 3.14Å; I226-S229 WeakPolarHBondContact O-CB 3.33Å; I226-S229 PolarHBondContact O-N 2.71Å; I226-S229 PolarHBondContact O-OG 3.32Å; L227-S229 PolarHBondContact O-N 2.76Å; L227-S229 VanDerWaalsContact O-N 3.14Å
230N96.6Very high96.7Very high4 Ų442.4 Ų42.42%0.02120%0.199CC..  trans-114.299.1176.4179-2.4000110.3L227 R228 R232 G330 S332L227-N230 PolarHBondContact O-N 2.85Å; R228-N230 PolarHBondContact O-N 2.73Å; N230-R232 PolarHBondContact O-N 3.16Å; N230-R232 VanDerWaalsContact O-N 3.09Å; N230-R232 PolarHBondContact OD1-N 3.01Å; N230-G330 PolarHBondContact ND2-O 3.46Å; N230-S332 WeakPolarHBondContact CB-OG 3.31Å; N230-S332 PolarHBondContact ND2-OG 3.08Å; N230-S332 VanDerWaalsContact ND2-OG 3.12Å
231P92.1Very high96.7Very high95 Ų9541.4 Ų41.462%0.61719%0.194SC*.THydrogen-bonded Turntrans-74.54.2-177.132.1-37.5000114.3
232R93.2Very high96.7Very high149 Ų14937.7 Ų37.756%0.56218%0.177SC*.THydrogen-bonded Turntrans-105-2.9-178.2-59.7-163.9-171.7168.517.4114.3E197 N198 H199 N230E197-R232 PolarHBondContact O-NH1 3.28Å; E197-R232 VanDerWaalsContact O-NH1 3.11Å; E197-R232 PolarHBondContact O-NH2 3.42Å; N198-R232 WeakPolarHBondContact O-CD 3.46Å; H199-R232 PolarHBondContact NE2-NH2 2.94Å; N230-R232 PolarHBondContact O-N 3.16Å; N230-R232 VanDerWaalsContact O-N 3.09Å; N230-R232 PolarHBondContact OD1-N 3.01Å
233S94.7Very high96.6Very high15 Ų1538.6 Ų38.611%0.10518%0.183CC..  trans-142.1127.2-178.6-159.60000112.1F235S233-F235 PolarHBondContact O-N 2.94Å; S233-F235 PolarHBondContact OG-O 3.19Å; S233-F235 VanDerWaalsContact OG-O 3.06Å
234D94.3Very high96.4Very high147 Ų14744.4 Ų44.479%0.78621%0.208SC*.SBendtrans-77.4-6.7177.5-56-52.5000113.2N265D234-N265 WeakPolarHBondContact O-CB 3.26Å
235F96.5Very high96.2Very high49 Ų4946.9 Ų46.922%0.21522%0.223CC..  trans-138.5162.8178.473-86.4000112.3S233 Y237 N265 K267 I331S233-F235 PolarHBondContact O-N 2.94Å; S233-F235 PolarHBondContact OG-O 3.19Å; S233-F235 VanDerWaalsContact OG-O 3.06Å; F235-Y237 HydrophobicContact CE2-CD2 4.28Å; F235-Y237 AromaticContact CE2-CE2 3.78Å; F235-Y237 HydrophobicContact CE2-CE2 3.78Å; F235-Y237 AromaticContact CE2-CZ 3.98Å; F235-N265 WeakPolarHBondContact CA-O 3.19Å; F235-N265 VanDerWaalsContact CB-O 3.3Å; F235-N265 WeakPolarHBondContact CB-O 3.28Å; F235-K267 HydrophobicContact CD2-CD 3.55Å; F235-K267 HydrophobicContact CD2-CG 3.94Å; F235-K267 HydrophobicContact CE2-CD 3.59Å; F235-K267 HydrophobicContact CE2-CG 4.43Å; F235-K267 HydrophobicContact CG-CD 4.29Å; F235-K267 HydrophobicContact CZ-CD 4.34Å; F235-I331 HydrophobicContact CD2-CG2 4.23Å; F235-I331 HydrophobicContact CE2-CD1 4.02Å; F235-I331 HydrophobicContact CE2-CG1 4.41Å; F235-I331 HydrophobicContact CE2-CG2 3.79Å; F235-I331 HydrophobicContact CZ-CD1 3.59Å; F235-I331 HydrophobicContact CZ-CG1 4.07Å; F235-I331 HydrophobicContact CZ-CG2 4.29Å
236M97.4Very high95.9Very high1 Ų148.9 Ų48.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-129.1156.2172.463.6176.3-70.200111.8I226 L227 N265 I266 K267 S332 L334I226-M236 HydrophobicContact CB-SD 4.47Å; I226-M236 HydrophobicContact CG2-CE 3.95Å; I226-M236 HydrophobicContact CG2-SD 4.18Å; L227-M236 HydrophobicContact CB-SD 4.15Å; L227-M236 HydrophobicContact CD1-CB 4.09Å; L227-M236 HydrophobicContact CD1-CG 4.32Å; M236-N265 PolarHBondContact N-O 2.9Å; M236-I266 HydrophobicContact CG-CG2 4.08Å; M236-I266 CarbonylContact O-C 3.38Å; M236-I266 WeakPolarHBondContact O-CA 3.28Å; M236-K267 PolarHBondContact O-N 2.8Å; M236-S332 WeakPolarHBondContact CA-O 3.43Å; M236-S332 WeakPolarHBondContact CB-O 3.39Å; M236-L334 HydrophobicContact CE-CB 3.57Å
237Y98.4Very high95.6Very high47 Ų4748.8 Ų48.818%0.18423%0.232CC..EExtended strand (participates in β ladder)trans-88.1139.6171.3-77.8-73000111.3F235 K267 F322 A326 I331 S332 V333 L334F235-Y237 HydrophobicContact CE2-CD2 4.28Å; F235-Y237 AromaticContact CE2-CE2 3.78Å; F235-Y237 HydrophobicContact CE2-CE2 3.78Å; F235-Y237 AromaticContact CE2-CZ 3.98Å; Y237-K267 WeakPolarHBondContact CA-O 3.17Å; Y237-K267 HydrophobicContact CD1-CB 3.71Å; Y237-K267 HydrophobicContact CE1-CB 3.69Å; Y237-K267 HydrophobicContact CE1-CD 4.07Å; Y237-F322 HydrophobicContact CD1-CE1 4.33Å; Y237-F322 AromaticContact CD1-CZ 3.91Å; Y237-F322 HydrophobicContact CD1-CZ 3.91Å; Y237-F322 AromaticContact CE1-CZ 3.9Å; Y237-F322 HydrophobicContact CE1-CZ 3.9Å; Y237-F322 HydrophobicContact CG-CE1 4.33Å; Y237-F322 HydrophobicContact CG-CZ 4.24Å; Y237-A326 HydrophobicContact CD2-CB 3.86Å; Y237-A326 HydrophobicContact CE2-CB 4.1Å; Y237-I331 HydrophobicContact CD2-CG2 3.68Å; Y237-I331 HydrophobicContact CE2-CD1 4.02Å; Y237-I331 HydrophobicContact CE2-CG2 4.03Å; Y237-S332 PolarHBondContact N-O 2.89Å; Y237-V333 CarbonylContact O-C 3.58Å; Y237-V333 WeakPolarHBondContact O-CA 3.4Å; Y237-L334 PolarHBondContact O-N 3.26Å
238V98.4Very high95.3Very high0 Ų051.5 Ų51.50%025%0.246CC..EExtended strand (participates in β ladder)trans-112.2115164.2178.80000107.6L223 E258 I266 K267 F268 Q269 L334 H336L223-V238 HydrophobicContact CD2-CG2 4.2Å; V238-E258 HydrophobicContact CG1-CG 4.36Å; V238-I266 HydrophobicContact CB-CD1 4.29Å; V238-I266 HydrophobicContact CG2-CB 3.95Å; V238-I266 HydrophobicContact CG2-CD1 3.84Å; V238-I266 HydrophobicContact CG2-CG1 4.47Å; V238-I266 HydrophobicContact CG2-CG2 4.01Å; V238-K267 PolarHBondContact N-O 2.9Å; V238-F268 HydrophobicContact CB-CD2 3.9Å; V238-F268 HydrophobicContact CB-CE2 4.22Å; V238-F268 HydrophobicContact CG1-CD2 3.72Å; V238-F268 HydrophobicContact CG1-CE2 3.52Å; V238-F268 HydrophobicContact CG1-CZ 4.46Å; V238-F268 WeakPolarHBondContact O-CA 3.23Å; V238-Q269 PolarHBondContact O-N 3.38Å; V238-L334 WeakPolarHBondContact CA-O 3.44Å; V238-L334 HydrophobicContact CG2-CB 4.38Å; V238-H336 WeakPolarHBondContact CG1-NE2 3.08Å
239V98.4Very high95Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-109.1104.2-173.91800000109.3M271 T319 F322 V333 L334 H336V239-M271 HydrophobicContact CG1-CG 3.61Å; V239-T319 HydrophobicContact CG1-CG2 4.22Å; V239-F322 HydrophobicContact CG2-CD1 4.11Å; V239-F322 HydrophobicContact CG2-CE1 3.72Å; V239-V333 HydrophobicContact CB-CG1 4.35Å; V239-V333 HydrophobicContact CG2-CG1 3.61Å; V239-L334 PolarHBondContact N-O 2.93Å; V239-H336 PolarHBondContact O-N 3.28Å
240D98.3Very high94.5Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-88.6110.8167.1-171.7-12.5000109.2R242 F268 Q269 F270 M271 H336D240-R242 VanDerWaalsContact CG-NE 3.33Å; D240-R242 PolarHBondContact O-N 2.82Å; D240-R242 VanDerWaalsContact O-N 3.08Å; D240-R242 VanDerWaalsContact OD1-CB 3.25Å; D240-R242 WeakPolarHBondContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CG 3.38Å; D240-R242 IonicContact OD1-CZ 2.69Å; D240-R242 PolarHBondContact OD1-N 3.31Å; D240-R242 IonicContact OD1-NE 2.71Å; D240-R242 PolarHBondContact OD1-NE 3.03Å; D240-R242 IonicContact OD1-NH2 2.7Å; D240-R242 IonicContact OD2-CZ 3.78Å; D240-R242 IonicContact OD2-NE 2.93Å; D240-R242 PolarHBondContact OD2-NE 2.96Å; D240-R242 IonicContact OD2-NH2 3.8Å; D240-R242 PolarHBondContact OD2-NH2 3.5Å; D240-F268 HydrophobicContact CB-CE1 3.83Å; D240-F268 HydrophobicContact CB-CZ 3.55Å; D240-Q269 PolarHBondContact N-O 3.38Å; D240-F270 HydrophobicContact CB-CD1 3.91Å; D240-F270 HydrophobicContact CB-CE1 3.97Å; D240-F270 WeakPolarHBondContact O-CA 3.4Å; D240-M271 PolarHBondContact O-N 3.39Å; D240-H336 IonicContact OD2-CE1 3.16Å
241T97.6Very high94.2Very high0 Ų050.9 Ų50.90%026%0.259CS..  trans-64.3-11.2-18054.10000113.9G272 I273 T319 V335 H336 C337 R343 V347T241-G272 PolarHBondContact O-N 3.35Å; T241-I273 HydrophobicContact CG2-CD1 4.35Å; T241-I273 WeakPolarHBondContact O-CA 3.29Å; T241-I273 WeakPolarHBondContact O-CB 3.04Å; T241-I273 PolarHBondContact O-N 3.34Å; T241-T319 HydrophobicContact CG2-CG2 4.31Å; T241-V335 HydrophobicContact CG2-CG1 4.16Å; T241-H336 PolarHBondContact N-O 3.12Å; T241-H336 PolarHBondContact OG1-O 2.98Å; T241-C337 WeakPolarHBondContact OG1-CB 3.24Å; T241-R343 HydrophobicContact CG2-CB 4.31Å; T241-R343 WeakPolarHBondContact OG1-CB 3.5Å; T241-V347 HydrophobicContact CG2-CG1 4.26Å; T241-V347 HydrophobicContact CG2-CG2 3.73Å
242R97.3Very high93.9Very high1 Ų149.3 Ų49.30%0.00425%0.254CS..SBendtrans-75.3159.6-178.1-63.3177.2-67.1-1740.4113.2D240 G256 G272D240-R242 VanDerWaalsContact CG-NE 3.33Å; D240-R242 PolarHBondContact O-N 2.82Å; D240-R242 VanDerWaalsContact O-N 3.08Å; D240-R242 VanDerWaalsContact OD1-CB 3.25Å; D240-R242 WeakPolarHBondContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CG 3.38Å; D240-R242 IonicContact OD1-CZ 2.69Å; D240-R242 PolarHBondContact OD1-N 3.31Å; D240-R242 IonicContact OD1-NE 2.71Å; D240-R242 PolarHBondContact OD1-NE 3.03Å; D240-R242 IonicContact OD1-NH2 2.7Å; D240-R242 IonicContact OD2-CZ 3.78Å; D240-R242 IonicContact OD2-NE 2.93Å; D240-R242 PolarHBondContact OD2-NE 2.96Å; D240-R242 IonicContact OD2-NH2 3.8Å; D240-R242 PolarHBondContact OD2-NH2 3.5Å; R242-G256 PolarHBondContact NH2-O 3.23Å; R242-G272 PolarHBondContact O-N 3.23Å; R242-G272 VanDerWaalsContact O-N 3.16Å
243P95.7Very high93.6Very high19 Ų1945.7 Ų45.712%0.12326%0.256CS..  trans-62.3142.1155.6-18.330.2000110.9L245 N246 A247 I273 E274P243-L245 VanDerWaalsContact C-N 3.27Å; P243-L245 PolarHBondContact O-N 2.84Å; P243-N246 HydrophobicContact CB-CB 4.46Å; P243-N246 WeakPolarHBondContact CG-ND2 3.39Å; P243-N246 PolarHBondContact O-N 3.4Å; P243-A247 PolarHBondContact O-N 3.3Å; P243-A247 VanDerWaalsContact O-N 3.09Å; P243-I273 WeakPolarHBondContact CD-O 3.46Å; P243-E274 HydrophobicContact CG-CG 4.5Å; P243-E274 VanDerWaalsContact CG-OE1 3.23Å; P243-E274 WeakPolarHBondContact CG-OE1 3.39Å
244K94.2Very high93.1Very high127 Ų12747 Ų4755%0.55227%0.271SS*.Hα-helixtrans-53.9-40.5-178.8-175.5172.9-179.2175.60113A247 I248 F270K244-A247 PolarHBondContact O-N 2.85Å; K244-I248 HydrophobicContact CG-CD1 3.99Å; K244-I248 VanDerWaalsContact O-CG1 3.32Å; K244-I248 WeakPolarHBondContact O-CG1 3.31Å; K244-I248 PolarHBondContact O-N 3.41Å; K244-F270 HydrophobicContact CB-CD1 4.46Å; K244-F270 HydrophobicContact CB-CD2 4.07Å; K244-F270 HydrophobicContact CB-CE2 4.33Å; K244-F270 HydrophobicContact CB-CG 4.14Å; K244-F270 HydrophobicContact CD-CD2 4.25Å; K244-F270 HydrophobicContact CD-CE2 4.26Å; K244-F270 HydrophobicContact CG-CD2 4.05Å; K244-F270 HydrophobicContact CG-CE2 3.89Å; K244-F270 HydrophobicContact CG-CZ 4.3Å
245L92.4Very high92.8Very high138 Ų13843.1 Ų43.172%0.72325%0.247SC*.Hα-helixtrans-61.3-45.2176.7-64.3176.8000112.2P243 A247 I248 A249P243-L245 VanDerWaalsContact C-N 3.27Å; P243-L245 PolarHBondContact O-N 2.84Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 2.78Å; L245-I248 PolarHBondContact O-N 2.98Å; L245-A249 PolarHBondContact O-N 3.16Å
246N91.9Very high92.5Very high48 Ų4840.8 Ų40.826%0.25724%0.237SC..Hα-helixtrans-65.7-32.8178.2-68.7-15.3000111.8P243 N250 E274P243-N246 HydrophobicContact CB-CB 4.46Å; P243-N246 WeakPolarHBondContact CG-ND2 3.39Å; P243-N246 PolarHBondContact O-N 3.4Å; N246-N250 PolarHBondContact O-N 3.25Å; N246-N250 VanDerWaalsContact O-N 3.14Å; N246-N250 PolarHBondContact O-ND2 3.3Å; N246-E274 PolarHBondContact ND2-OE2 3.15Å
247A90.2Very high92.3Very high0 Ų042.5 Ų42.50%024%0.244CC..Hα-helixtrans-69.9-41.5173.100000112.4P243 K244 L245 N250 R251 Y257 F270P243-A247 PolarHBondContact O-N 3.3Å; P243-A247 VanDerWaalsContact O-N 3.09Å; K244-A247 PolarHBondContact O-N 2.85Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 2.78Å; A247-N250 PolarHBondContact O-N 2.93Å; A247-R251 PolarHBondContact O-N 3.25Å; A247-Y257 HydrophobicContact CB-CD1 4.03Å; A247-Y257 HydrophobicContact CB-CE1 4.47Å; A247-F270 HydrophobicContact CB-CD1 4.34Å; A247-F270 HydrophobicContact CB-CE1 3.43Å; A247-F270 VanDerWaalsContact CB-CE1 3.43Å; A247-F270 HydrophobicContact CB-CZ 4.04Å
248I90.5Very high92.1Very high76 Ų7640.3 Ų40.339%0.3924%0.236SC..Hα-helixtrans-62.7-42.5174-68165.1000111.2K244 L245 N250 R251 A252 Y257K244-I248 HydrophobicContact CG-CD1 3.99Å; K244-I248 VanDerWaalsContact O-CG1 3.32Å; K244-I248 WeakPolarHBondContact O-CG1 3.31Å; K244-I248 PolarHBondContact O-N 3.41Å; L245-I248 PolarHBondContact O-N 2.98Å; I248-N250 PolarHBondContact O-N 3.07Å; I248-R251 WeakPolarHBondContact O-CA 3.49Å; I248-R251 VanDerWaalsContact O-CB 3.27Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.24Å; I248-R251 VanDerWaalsContact O-N 3.08Å; I248-A252 PolarHBondContact O-N 3.37Å; I248-Y257 HydrophobicContact CG1-CE1 4.44Å
249A89.8Confident91.6Very high60 Ų6042.8 Ų42.850%0.49625%0.249SC..Hα-helixtrans-61.9-40.9175.300000112.3L245 R251 A252 A253L245-A249 PolarHBondContact O-N 3.16Å; A249-R251 VanDerWaalsContact C-N 3.3Å; A249-R251 PolarHBondContact O-N 3.1Å; A249-A252 PolarHBondContact O-N 2.9Å; A249-A253 PolarHBondContact O-N 2.9Å
250N87.5Confident91.1Very high33 Ų3347.9 Ų47.918%0.17627%0.273CS..Hα-helixtrans-64.7-35.1172.3-84.5-99.4000112Q207 N246 A247 I248 A253 K255Q207-N250 PolarHBondContact NE2-OD1 2.62Å; N246-N250 PolarHBondContact O-N 3.25Å; N246-N250 VanDerWaalsContact O-N 3.14Å; N246-N250 PolarHBondContact O-ND2 3.3Å; A247-N250 PolarHBondContact O-N 2.93Å; I248-N250 PolarHBondContact O-N 3.07Å; N250-A253 CarbonylContact O-C 3.55Å; N250-A253 PolarHBondContact O-N 3.11Å; N250-A253 VanDerWaalsContact O-N 3.14Å; N250-K255 HydrophobicContact CB-CB 4.26Å; N250-K255 WeakPolarHBondContact O-CA 3.5Å; N250-K255 WeakPolarHBondContact O-CB 3.34Å; N250-K255 PolarHBondContact O-N 3.31Å
251R89.6Confident90.6Very high63 Ų6354.5 Ų54.524%0.23831%0.308CS..Hα-helixtrans-61.4-41.9176.1-164.9179.1174.8-179.1-5.2112.3G211 F212 A247 I248 A249 A253 G254 K255 Y257G211-R251 WeakPolarHBondContact O-CG 3.39Å; G211-R251 PolarHBondContact O-NE 2.82Å; F212-R251 PolarHBondContact O-NH2 3.48Å; A247-R251 PolarHBondContact O-N 3.25Å; I248-R251 WeakPolarHBondContact O-CA 3.49Å; I248-R251 VanDerWaalsContact O-CB 3.27Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.24Å; I248-R251 VanDerWaalsContact O-N 3.08Å; A249-R251 VanDerWaalsContact C-N 3.3Å; A249-R251 PolarHBondContact O-N 3.1Å; R251-A253 PolarHBondContact O-N 2.91Å; R251-G254 PolarHBondContact O-N 3.4Å; R251-K255 WeakPolarHBondContact CA-O 3.47Å; R251-Y257 PolarHBondContact NH1-OH 3.16Å
252A86.7Confident90.3Very high63 Ų6356.6 Ų56.652%0.52132%0.319SS..Hα-helixtrans-63-31.1174.100000112.8F212 I248 A249 G254F212-A252 HydrophobicContact CZ-CB 4.17Å; I248-A252 PolarHBondContact O-N 3.37Å; A249-A252 PolarHBondContact O-N 2.9Å; A252-G254 PolarHBondContact O-N 2.96Å
253A86.5Confident90.1Very high73 Ų7357 Ų5760%0.60332%0.321SS*.THydrogen-bonded Turntrans-8524.9175.800000114.3A249 N250 R251 K255A249-A253 PolarHBondContact O-N 2.9Å; N250-A253 CarbonylContact O-C 3.55Å; N250-A253 PolarHBondContact O-N 3.11Å; N250-A253 VanDerWaalsContact O-N 3.14Å; R251-A253 PolarHBondContact O-N 2.91Å; A253-K255 VanDerWaalsContact C-N 3.26Å; A253-K255 PolarHBondContact O-N 3.26Å
254G83Confident89.7Confident41 Ų4160.6 Ų60.642%0.42335%0.346SS..THydrogen-bonded Turntrans75.74.217700000115.7L209 G211 R251 A252L209-G254 CarbonylContact C-O 3.5Å; G211-G254 PolarHBondContact N-O 3.32Å; R251-G254 PolarHBondContact O-N 3.4Å; A252-G254 PolarHBondContact O-N 2.96Å
255K89.5Confident89.6Confident66 Ų6659.4 Ų59.429%0.28735%0.346SS..  trans-97.5-148.8170.3-62.2148.2163179.40109Q207 P208 L209 S210 G211 N250 R251 A253Q207-K255 HydrophobicContact CG-CB 4.12Å; Q207-K255 VanDerWaalsContact OE1-CB 3.26Å; P208-K255 CarbonylContact O-C 3.41Å; L209-K255 HydrophobicContact CD2-CB 4.41Å; L209-K255 HydrophobicContact CD2-CG 3.79Å; S210-K255 PolarHBondContact OG-O 3.06Å; G211-K255 WeakPolarHBondContact CA-O 3.34Å; G211-K255 PolarHBondContact N-O 3Å; N250-K255 HydrophobicContact CB-CB 4.26Å; N250-K255 WeakPolarHBondContact O-CA 3.5Å; N250-K255 WeakPolarHBondContact O-CB 3.34Å; N250-K255 PolarHBondContact O-N 3.31Å; R251-K255 WeakPolarHBondContact CA-O 3.47Å; A253-K255 VanDerWaalsContact C-N 3.26Å; A253-K255 PolarHBondContact O-N 3.26Å
256G90.3Very high89.7Confident0 Ų053.6 Ų53.60%032%0.315CS..  trans153.3-136.9168.900000113.8P208 S210 R242P208-G256 PolarHBondContact O-N 3.45Å; P208-G256 VanDerWaalsContact O-N 3.1Å; S210-G256 WeakPolarHBondContact OG-CA 3.38Å; R242-G256 PolarHBondContact NH2-O 3.23Å
257Y92.8Very high89.9Confident37 Ų3755.5 Ų55.515%0.14532%0.321CS..  trans-158.7160.9-17756.9-91.5000109.1A247 I248 R251 F268 F270A247-Y257 HydrophobicContact CB-CD1 4.03Å; A247-Y257 HydrophobicContact CB-CE1 4.47Å; I248-Y257 HydrophobicContact CG1-CE1 4.44Å; R251-Y257 PolarHBondContact NH1-OH 3.16Å; Y257-F268 HydrophobicContact CD2-CE1 4.41Å; Y257-F268 HydrophobicContact CD2-CE2 4.41Å; Y257-F268 HydrophobicContact CD2-CZ 4.15Å; Y257-F268 HydrophobicContact CG-CZ 4.17Å; Y257-F270 HydrophobicContact CD1-CZ 4.17Å; Y257-F270 HydrophobicContact CD2-CZ 4.21Å; Y257-F270 HydrophobicContact CE1-CZ 4.3Å; Y257-F270 HydrophobicContact CE2-CZ 4.35Å; Y257-F270 HydrophobicContact CG-CZ 4.14Å
258E93.4Very high90.1Very high2 Ų257 Ų571%0.00933%0.328CS..  trans-63.1129-176.5-69.782.8152.800110.9R183 P208 L223 V238 Y263 I266 F268 H336R183-E258 IonicContact CZ-OE1 2.83Å; R183-E258 IonicContact NH1-OE1 2.74Å; R183-E258 PolarHBondContact NH1-OE1 2.94Å; R183-E258 IonicContact NH2-OE1 3.52Å; R183-E258 PolarHBondContact NH2-OE1 3.12Å; P208-E258 WeakPolarHBondContact CD-OE2 3.36Å; P208-E258 HydrophobicContact CG-CG 4.42Å; P208-E258 WeakPolarHBondContact CG-OE2 3.49Å; L223-E258 HydrophobicContact CD2-CG 4.23Å; V238-E258 HydrophobicContact CG1-CG 4.36Å; E258-Y263 HydrophobicContact CB-CD2 3.66Å; E258-Y263 HydrophobicContact CB-CE2 3.82Å; E258-Y263 HydrophobicContact CB-CG 4.19Å; E258-Y263 HydrophobicContact CG-CD1 4.41Å; E258-Y263 HydrophobicContact CG-CD2 4.03Å; E258-Y263 HydrophobicContact CG-CE1 4.22Å; E258-Y263 HydrophobicContact CG-CE2 3.86Å; E258-Y263 HydrophobicContact CG-CG 4.32Å; E258-I266 HydrophobicContact CB-CD1 3.8Å; E258-F268 HydrophobicContact CB-CD2 4.06Å; E258-F268 HydrophobicContact CB-CE2 3.98Å; E258-H336 IonicContact OE1-CD2 2.9Å; E258-H336 IonicContact OE1-NE2 3.71Å; E258-H336 IonicContact OE2-CE1 3.3Å; E258-H336 PolarHBondContact OE2-CE1 3.21Å; E258-H336 IonicContact OE2-NE2 2.64Å; E258-H336 PolarHBondContact OE2-NE2 3.47Å
259N89.1Confident90.4Very high51 Ų5157 Ų5727%0.27333%0.326SS..  trans-92124.4175.9-17129.5000110.6D261 N262 Y263N259-D261 PolarHBondContact ND2-OD2 3.41Å; N259-D261 PolarHBondContact O-N 2.84Å; N259-D261 VanDerWaalsContact O-N 3.12Å; N259-D261 PolarHBondContact OD1-OD2 3.21Å; N259-N262 PolarHBondContact O-N 2.94Å; N259-Y263 WeakPolarHBondContact O-CD2 3.43Å; N259-Y263 PolarHBondContact O-N 2.94Å
260E87.3Confident90.7Very high108 Ų10856.2 Ų56.251%0.50531%0.312SS..THydrogen-bonded Turntrans-61.2-24.1-176.2-61.4-175.9134.600112.8N262 I266 F268E260-N262 VanDerWaalsContact C-N 3.32Å; E260-N262 PolarHBondContact O-N 3.29Å; E260-I266 HydrophobicContact CG-CD1 4.47Å; E260-I266 HydrophobicContact CG-CG1 4.28Å; E260-F268 HydrophobicContact CG-CB 4.05Å; E260-F268 WeakPolarHBondContact OE1-CB 3.39Å; E260-F268 PolarHBondContact OE1-N 3.43Å
261D87.8Confident90.9Very high138 Ų13856.6 Ų56.674%0.73831%0.313SS*.THydrogen-bonded Turntrans-66.4-30.4172.3-50.3-50.3000113.6N259N259-D261 PolarHBondContact ND2-OD2 3.41Å; N259-D261 PolarHBondContact O-N 2.84Å; N259-D261 VanDerWaalsContact O-N 3.12Å; N259-D261 PolarHBondContact OD1-OD2 3.21Å
262N90.9Very high91.2Very high44 Ų4455.3 Ų55.324%0.23532%0.319CS..THydrogen-bonded Turntrans-94.8-40-176.6-70.2-21.1000111.7N259 E260 S264N259-N262 PolarHBondContact O-N 2.94Å; E260-N262 VanDerWaalsContact C-N 3.32Å; E260-N262 PolarHBondContact O-N 3.29Å; N262-S264 PolarHBondContact O-N 2.84Å
263Y92.4Very high91.7Very high11 Ų1152.3 Ų52.34%0.04329%0.294CS..SBendtrans-96.388.6-178.8-64.1-90.2000109.2F182 D219 E220 L223 E258 N259 I266F182-Y263 WeakPolarHBondContact CE1-OH 3.47Å; D219-Y263 PolarHBondContact OD2-OH 3.41Å; E220-Y263 HydrophobicContact CB-CD1 4.42Å; E220-Y263 HydrophobicContact CB-CE1 4.31Å; E220-Y263 HydrophobicContact CG-CD1 3.69Å; E220-Y263 HydrophobicContact CG-CE1 3.49Å; E220-Y263 VanDerWaalsContact CG-CE1 3.49Å; E220-Y263 HydrophobicContact CG-CG 4.31Å; L223-Y263 HydrophobicContact CB-CD1 4.36Å; L223-Y263 HydrophobicContact CD2-CD1 3.64Å; L223-Y263 HydrophobicContact CD2-CE1 3.97Å; L223-Y263 HydrophobicContact CD2-CG 4.45Å; L223-Y263 HydrophobicContact CG-CD1 4.49Å; E258-Y263 HydrophobicContact CB-CD2 3.66Å; E258-Y263 HydrophobicContact CB-CE2 3.82Å; E258-Y263 HydrophobicContact CB-CG 4.19Å; E258-Y263 HydrophobicContact CG-CD1 4.41Å; E258-Y263 HydrophobicContact CG-CD2 4.03Å; E258-Y263 HydrophobicContact CG-CE1 4.22Å; E258-Y263 HydrophobicContact CG-CE2 3.86Å; E258-Y263 HydrophobicContact CG-CG 4.32Å; N259-Y263 WeakPolarHBondContact O-CD2 3.43Å; N259-Y263 PolarHBondContact O-N 2.94Å; Y263-I266 HydrophobicContact CG-CD1 4.32Å; Y263-I266 WeakPolarHBondContact O-CG1 3.42Å
264S88.1Confident92.2Very high93 Ų9351.5 Ų51.565%0.6528%0.278SS*.THydrogen-bonded Turntrans-59.2144.4177.7-53.80000111.6N262 I266N262-S264 PolarHBondContact O-N 2.84Å; S264-I266 VanDerWaalsContact C-N 3.26Å; S264-I266 PolarHBondContact O-N 3.04Å
265N91.9Very high92.8Very high102 Ų10252 Ų5255%0.54527%0.271SS..THydrogen-bonded Turntrans61.623.4175.4-54.3-27.9000115.8L227 D234 F235 M236L227-N265 HydrophobicContact CD2-CB 3.62Å; D234-N265 WeakPolarHBondContact O-CB 3.26Å; F235-N265 WeakPolarHBondContact CA-O 3.19Å; F235-N265 VanDerWaalsContact CB-O 3.3Å; F235-N265 WeakPolarHBondContact CB-O 3.28Å; M236-N265 PolarHBondContact N-O 2.9Å
266I94.9Very high93.2Very high17 Ų1749.7 Ų49.79%0.08726%0.262CS..EExtended strand (participates in β ladder)trans-94.3157.4162.477.6170.2000111.1L223 M236 V238 E258 E260 Y263 S264 F268L223-I266 HydrophobicContact CD2-CG2 4.44Å; M236-I266 HydrophobicContact CG-CG2 4.08Å; M236-I266 CarbonylContact O-C 3.38Å; M236-I266 WeakPolarHBondContact O-CA 3.28Å; V238-I266 HydrophobicContact CB-CD1 4.29Å; V238-I266 HydrophobicContact CG2-CB 3.95Å; V238-I266 HydrophobicContact CG2-CD1 3.84Å; V238-I266 HydrophobicContact CG2-CG1 4.47Å; V238-I266 HydrophobicContact CG2-CG2 4.01Å; E258-I266 HydrophobicContact CB-CD1 3.8Å; E260-I266 HydrophobicContact CG-CD1 4.47Å; E260-I266 HydrophobicContact CG-CG1 4.28Å; Y263-I266 HydrophobicContact CG-CD1 4.32Å; Y263-I266 WeakPolarHBondContact O-CG1 3.42Å; S264-I266 VanDerWaalsContact C-N 3.26Å; S264-I266 PolarHBondContact O-N 3.04Å; I266-F268 HydrophobicContact CD1-CD2 4.32Å
267K95.9Very high93.6Very high88 Ų8853.3 Ų53.338%0.38328%0.278SS..EExtended strand (participates in β ladder)trans-121.2116.8161.9-66.9-179.3-173.4160.50108.4F235 M236 Y237 V238F235-K267 HydrophobicContact CD2-CD 3.55Å; F235-K267 HydrophobicContact CD2-CG 3.94Å; F235-K267 HydrophobicContact CE2-CD 3.59Å; F235-K267 HydrophobicContact CE2-CG 4.43Å; F235-K267 HydrophobicContact CG-CD 4.29Å; F235-K267 HydrophobicContact CZ-CD 4.34Å; M236-K267 PolarHBondContact O-N 2.8Å; Y237-K267 WeakPolarHBondContact CA-O 3.17Å; Y237-K267 HydrophobicContact CD1-CB 3.71Å; Y237-K267 HydrophobicContact CE1-CB 3.69Å; Y237-K267 HydrophobicContact CE1-CD 4.07Å; V238-K267 PolarHBondContact N-O 2.9Å
268F94.5Very high93.8Very high31 Ų3153.8 Ų53.814%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-89.2134-174.5-160.2-79.6000112V238 D240 Y257 E258 E260 I266 F270V238-F268 HydrophobicContact CB-CD2 3.9Å; V238-F268 HydrophobicContact CB-CE2 4.22Å; V238-F268 HydrophobicContact CG1-CD2 3.72Å; V238-F268 HydrophobicContact CG1-CE2 3.52Å; V238-F268 HydrophobicContact CG1-CZ 4.46Å; V238-F268 WeakPolarHBondContact O-CA 3.23Å; D240-F268 HydrophobicContact CB-CE1 3.83Å; D240-F268 HydrophobicContact CB-CZ 3.55Å; Y257-F268 HydrophobicContact CD2-CE1 4.41Å; Y257-F268 HydrophobicContact CD2-CE2 4.41Å; Y257-F268 HydrophobicContact CD2-CZ 4.15Å; Y257-F268 HydrophobicContact CG-CZ 4.17Å; E258-F268 HydrophobicContact CB-CD2 4.06Å; E258-F268 HydrophobicContact CB-CE2 3.98Å; E260-F268 HydrophobicContact CG-CB 4.05Å; E260-F268 WeakPolarHBondContact OE1-CB 3.39Å; E260-F268 PolarHBondContact OE1-N 3.43Å; I266-F268 HydrophobicContact CD1-CD2 4.32Å; F268-F270 HydrophobicContact CD1-CD2 4.25Å; F268-F270 AromaticContact CD1-CE2 3.95Å; F268-F270 HydrophobicContact CD1-CE2 3.95Å; F268-F270 HydrophobicContact CD1-CZ 4.18Å; F268-F270 HydrophobicContact CE1-CD1 4.03Å; F268-F270 HydrophobicContact CE1-CD2 4.03Å; F268-F270 AromaticContact CE1-CE1 3.63Å; F268-F270 HydrophobicContact CE1-CE1 3.63Å; F268-F270 AromaticContact CE1-CE2 3.64Å; F268-F270 HydrophobicContact CE1-CE2 3.64Å; F268-F270 HydrophobicContact CE1-CG 4.22Å; F268-F270 AromaticContact CE1-CZ 3.43Å; F268-F270 HydrophobicContact CE1-CZ 3.43Å; F268-F270 VanDerWaalsContact CE1-CZ 3.43Å; F268-F270 HydrophobicContact CZ-CE1 4.24Å; F268-F270 HydrophobicContact CZ-CZ 4.2Å
269Q96.2Very high94.1Very high75 Ų7553.7 Ų53.735%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-135.1128.1-178.2-173.863.655.200111.9V238 D240 M271 F322V238-Q269 PolarHBondContact O-N 3.38Å; D240-Q269 PolarHBondContact N-O 3.38Å; Q269-M271 HydrophobicContact CG-CG 4.41Å; Q269-M271 HydrophobicContact CG-SD 3.51Å; Q269-M271 VanDerWaalsContact CG-SD 3.51Å; Q269-F322 HydrophobicContact CB-CZ 4.41Å; Q269-F322 HydrophobicContact CG-CE1 4.29Å; Q269-F322 HydrophobicContact CG-CZ 4.09Å
270F96.4Very high94.5Very high45 Ų4554.2 Ų54.220%0.19728%0.283CS..EExtended strand (participates in β ladder)trans-94.4139.6168.3-70.4-73.3000110.8D240 K244 A247 Y257 F268D240-F270 HydrophobicContact CB-CD1 3.91Å; D240-F270 HydrophobicContact CB-CE1 3.97Å; D240-F270 WeakPolarHBondContact O-CA 3.4Å; K244-F270 HydrophobicContact CB-CD1 4.46Å; K244-F270 HydrophobicContact CB-CD2 4.07Å; K244-F270 HydrophobicContact CB-CE2 4.33Å; K244-F270 HydrophobicContact CB-CG 4.14Å; K244-F270 HydrophobicContact CD-CD2 4.25Å; K244-F270 HydrophobicContact CD-CE2 4.26Å; K244-F270 HydrophobicContact CG-CD2 4.05Å; K244-F270 HydrophobicContact CG-CE2 3.89Å; K244-F270 HydrophobicContact CG-CZ 4.3Å; A247-F270 HydrophobicContact CB-CD1 4.34Å; A247-F270 HydrophobicContact CB-CE1 3.43Å; A247-F270 VanDerWaalsContact CB-CE1 3.43Å; A247-F270 HydrophobicContact CB-CZ 4.04Å; Y257-F270 HydrophobicContact CD1-CZ 4.17Å; Y257-F270 HydrophobicContact CD2-CZ 4.21Å; Y257-F270 HydrophobicContact CE1-CZ 4.3Å; Y257-F270 HydrophobicContact CE2-CZ 4.35Å; Y257-F270 HydrophobicContact CG-CZ 4.14Å; F268-F270 HydrophobicContact CD1-CD2 4.25Å; F268-F270 AromaticContact CD1-CE2 3.95Å; F268-F270 HydrophobicContact CD1-CE2 3.95Å; F268-F270 HydrophobicContact CD1-CZ 4.18Å; F268-F270 HydrophobicContact CE1-CD1 4.03Å; F268-F270 HydrophobicContact CE1-CD2 4.03Å; F268-F270 AromaticContact CE1-CE1 3.63Å; F268-F270 HydrophobicContact CE1-CE1 3.63Å; F268-F270 AromaticContact CE1-CE2 3.64Å; F268-F270 HydrophobicContact CE1-CE2 3.64Å; F268-F270 HydrophobicContact CE1-CG 4.22Å; F268-F270 AromaticContact CE1-CZ 3.43Å; F268-F270 HydrophobicContact CE1-CZ 3.43Å; F268-F270 VanDerWaalsContact CE1-CZ 3.43Å; F268-F270 HydrophobicContact CZ-CE1 4.24Å; F268-F270 HydrophobicContact CZ-CZ 4.2Å
271M92.8Very high95Very high41 Ų4153.5 Ų53.520%0.20228%0.282CS..  trans-119.5-5.5-176.6-57.3-59.8-73.400115.9V239 D240 Q269 I273 T319 F322V239-M271 HydrophobicContact CG1-CG 3.61Å; D240-M271 PolarHBondContact O-N 3.39Å; Q269-M271 HydrophobicContact CG-CG 4.41Å; Q269-M271 HydrophobicContact CG-SD 3.51Å; Q269-M271 VanDerWaalsContact CG-SD 3.51Å; M271-I273 PolarHBondContact O-N 2.79Å; M271-T319 HydrophobicContact CB-CG2 3.99Å; M271-T319 WeakPolarHBondContact CB-OG1 3.16Å; M271-T319 HydrophobicContact CE-CG2 4.25Å; M271-T319 HydrophobicContact CG-CG2 3.82Å; M271-F322 HydrophobicContact CE-CB 3.79Å; M271-F322 HydrophobicContact CE-CD1 4.5Å; M271-F322 HydrophobicContact CE-CG 4.08Å
272G94.1Very high95.5Very high35 Ų3547.2 Ų47.236%0.36125%0.249SC..  trans76.917.5164.700000117.3T241 R242 E274T241-G272 PolarHBondContact O-N 3.35Å; R242-G272 PolarHBondContact O-N 3.23Å; R242-G272 VanDerWaalsContact O-N 3.16Å; G272-E274 PolarHBondContact O-N 2.69Å
273I97.2Very high95.7Very high0 Ų046.3 Ų46.30%024%0.243CC..PPolyproline II helixtrans-79117.2176.2-49.2173.3000110T241 P243 M271 M279 A315 V316 T319 R343 V347T241-I273 HydrophobicContact CG2-CD1 4.35Å; T241-I273 WeakPolarHBondContact O-CA 3.29Å; T241-I273 WeakPolarHBondContact O-CB 3.04Å; T241-I273 PolarHBondContact O-N 3.34Å; P243-I273 WeakPolarHBondContact CD-O 3.46Å; M271-I273 PolarHBondContact O-N 2.79Å; I273-M279 HydrophobicContact CG2-CE 3.54Å; I273-A315 HydrophobicContact CG1-CB 4.26Å; I273-V316 HydrophobicContact CD1-CG2 4.21Å; I273-V316 HydrophobicContact CG2-CG2 4.15Å; I273-T319 HydrophobicContact CD1-CG2 4.42Å; I273-R343 HydrophobicContact CB-CG 4.15Å; I273-R343 HydrophobicContact CG2-CG 3.72Å; I273-R343 WeakPolarHBondContact O-CD 3.13Å; I273-R343 PolarHBondContact O-NH1 2.91Å; I273-V347 HydrophobicContact CD1-CG1 3.56Å
274E97.3Very high95.9Very high56 Ų5650.1 Ų50.126%0.26226%0.262SS..PPolyproline II helixtrans-63.4172.6-175.7-71.2-60.5162.900115.1P243 N246 G272 V278 M279 R343P243-E274 HydrophobicContact CG-CG 4.5Å; P243-E274 VanDerWaalsContact CG-OE1 3.23Å; P243-E274 WeakPolarHBondContact CG-OE1 3.39Å; N246-E274 PolarHBondContact ND2-OE2 3.15Å; G272-E274 PolarHBondContact O-N 2.69Å; E274-V278 HydrophobicContact CB-CB 3.78Å; E274-V278 HydrophobicContact CB-CG1 3.8Å; E274-V278 HydrophobicContact CB-CG2 4.05Å; E274-V278 HydrophobicContact CG-CB 4.47Å; E274-V278 HydrophobicContact CG-CG1 4.1Å; E274-V278 HydrophobicContact CG-CG2 4.49Å; E274-M279 HydrophobicContact CB-CE 3.94Å; E274-R343 WeakPolarHBondContact O-CD 3.34Å; E274-R343 PolarHBondContact O-NH1 2.92Å
275N97.1Very high96.2Very high51 Ų5150.9 Ų50.927%0.27325%0.253SS..PPolyproline II helixtrans-80.7170.1-177.873.655.6000113.5H277 V278 M279N275-H277 PolarHBondContact O-N 3.24Å; N275-H277 VanDerWaalsContact O-N 3.16Å; N275-H277 WeakPolarHBondContact OD1-CB 3.42Å; N275-H277 PolarHBondContact OD1-N 2.88Å; N275-V278 PolarHBondContact O-N 3.16Å; N275-V278 VanDerWaalsContact O-N 3.14Å; N275-V278 PolarHBondContact OD1-N 3.39Å; N275-M279 PolarHBondContact O-N 3.14Å
276I97.8Very high96.4Very high19 Ų1946.1 Ų46.110%0.09723%0.227CC..Hα-helixtrans-58.4-29.2-175.370.7175.1000114R280 D342 S395 I397I276-R280 PolarHBondContact O-N 3.06Å; I276-R280 VanDerWaalsContact O-N 3.08Å; I276-D342 HydrophobicContact CG2-CB 4.45Å; I276-S395 WeakPolarHBondContact CA-OG 3.38Å; I276-S395 WeakPolarHBondContact O-CB 3.16Å; I276-S395 PolarHBondContact O-OG 3.48Å; I276-I397 HydrophobicContact CG2-CD1 4.11Å; I276-I397 HydrophobicContact CG2-CG1 4.35Å
277H97.5Very high96.3Very high75 Ų7546.7 Ų46.735%0.34723%0.231SC..Hα-helixtrans-75.7-38.4-179.8-47.9-44.9000111.2N275 M279 R280 N281 K392N275-H277 PolarHBondContact O-N 3.24Å; N275-H277 VanDerWaalsContact O-N 3.16Å; N275-H277 WeakPolarHBondContact OD1-CB 3.42Å; N275-H277 PolarHBondContact OD1-N 2.88Å; H277-M279 VanDerWaalsContact C-N 3.35Å; H277-R280 PolarHBondContact O-N 2.9Å; H277-N281 WeakPolarHBondContact O-CB 2.98Å; H277-N281 PolarHBondContact O-N 3.28Å; H277-N281 PolarHBondContact O-OD1 3Å; H277-K392 PolarHBondContact CE1-O 2.91Å; H277-K392 PolarHBondContact ND1-O 3.36Å
278V98.1Very high96.1Very high47 Ų4747.1 Ų47.129%0.28523%0.234SC..Hα-helixtrans-62.5-44.3172.9-177.80000110.2E274 N275 R280 N281 S282E274-V278 HydrophobicContact CB-CB 3.78Å; E274-V278 HydrophobicContact CB-CG1 3.8Å; E274-V278 HydrophobicContact CB-CG2 4.05Å; E274-V278 HydrophobicContact CG-CB 4.47Å; E274-V278 HydrophobicContact CG-CG1 4.1Å; E274-V278 HydrophobicContact CG-CG2 4.49Å; N275-V278 PolarHBondContact O-N 3.16Å; N275-V278 VanDerWaalsContact O-N 3.14Å; N275-V278 PolarHBondContact OD1-N 3.39Å; V278-R280 PolarHBondContact O-N 3.2Å; V278-N281 PolarHBondContact O-N 2.91Å; V278-S282 VanDerWaalsContact O-CB 3.3Å; V278-S282 WeakPolarHBondContact O-CB 3.44Å; V278-S282 PolarHBondContact O-N 3.36Å
279M98.1Very high95.9Very high1 Ų146.5 Ų46.51%0.00523%0.233CC..Hα-helixtrans-63.7-40.1178.5-56.1-43.7-176.500112.8I273 E274 N275 H277 S282 Q283 H312 I397 Q400I273-M279 HydrophobicContact CG2-CE 3.54Å; E274-M279 HydrophobicContact CB-CE 3.94Å; N275-M279 PolarHBondContact O-N 3.14Å; H277-M279 VanDerWaalsContact C-N 3.35Å; M279-S282 PolarHBondContact O-N 3.46Å; M279-Q283 PolarHBondContact O-N 3.44Å; M279-H312 HydrophobicContact CE-CB 4.09Å; M279-H312 HydrophobicContact SD-CB 3.75Å; M279-H312 VanDerWaalsContact SD-CG 3.52Å; M279-I397 HydrophobicContact CB-CD1 4.37Å; M279-I397 HydrophobicContact CG-CD1 4.24Å; M279-Q400 PolarHBondContact SD-NE2 3.28Å
280R97.4Very high95.4Very high62 Ų6243.4 Ų43.423%0.23422%0.219CC..Hα-helixtrans-61.5-50173.1177.2-178.157.6-118.95.4111.3I276 H277 V278 S282 Q283 Q284 P391 K392 V394I276-R280 PolarHBondContact O-N 3.06Å; I276-R280 VanDerWaalsContact O-N 3.08Å; H277-R280 PolarHBondContact O-N 2.9Å; V278-R280 PolarHBondContact O-N 3.2Å; R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 2.85Å; R280-Q283 PolarHBondContact O-N 3.47Å; R280-Q284 WeakPolarHBondContact O-CB 3.24Å; R280-Q284 PolarHBondContact O-N 2.9Å; R280-P391 PolarHBondContact NH1-O 3.48Å; R280-K392 VanDerWaalsContact NH1-C 3.33Å; R280-K392 PolarHBondContact NH1-O 2.96Å; R280-V394 WeakPolarHBondContact CD-O 3.3Å; R280-V394 PolarHBondContact NH1-O 3.44Å
281N98Very high94.9Very high93 Ų9343.7 Ų43.750%0.49722%0.221SC..Hα-helixtrans-64.2-35.1-178.5-67.44000111.6H277 V278 K285H277-N281 WeakPolarHBondContact O-CB 2.98Å; H277-N281 PolarHBondContact O-N 3.28Å; H277-N281 PolarHBondContact O-OD1 3Å; V278-N281 PolarHBondContact O-N 2.91Å; N281-K285 WeakPolarHBondContact O-CG 3.47Å; N281-K285 PolarHBondContact O-N 2.9Å; N281-K285 VanDerWaalsContact O-N 3.11Å
282S98Very high94.5Very high5 Ų545.5 Ų45.54%0.03523%0.231CC..Hα-helixtrans-65.3-47.6175.4-1800000112.3V278 M279 R280 Q284 K285 M286 S307 W309 H312V278-S282 VanDerWaalsContact O-CB 3.3Å; V278-S282 WeakPolarHBondContact O-CB 3.44Å; V278-S282 PolarHBondContact O-N 3.36Å; M279-S282 PolarHBondContact O-N 3.46Å; R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 2.85Å; S282-Q284 PolarHBondContact O-N 3.33Å; S282-K285 PolarHBondContact O-N 3.2Å; S282-M286 PolarHBondContact O-N 2.97Å; S282-S307 WeakPolarHBondContact CA-O 3.4Å; S282-S307 VanDerWaalsContact CB-O 3.28Å; S282-S307 WeakPolarHBondContact CB-O 3.36Å; S282-S307 PolarHBondContact OG-O 2.77Å; S282-W309 VanDerWaalsContact OG-CA 3.25Å; S282-W309 WeakPolarHBondContact OG-CA 3.14Å; S282-W309 PolarHBondContact OG-N 3.41Å; S282-H312 PolarHBondContact OG-CD2 3.11Å
283Q96.3Very high93.6Very high25 Ų2553.4 Ų53.412%0.11725%0.25CS..Hα-helixtrans-61.9-44174.6-172.9-177.351.700111.5M279 R280 K285 M286 L287 W309 P396 D399M279-Q283 PolarHBondContact O-N 3.44Å; R280-Q283 PolarHBondContact O-N 3.47Å; Q283-K285 PolarHBondContact O-N 3Å; Q283-M286 HydrophobicContact CG-CE 4.03Å; Q283-M286 PolarHBondContact O-N 2.95Å; Q283-M286 VanDerWaalsContact O-N 3.11Å; Q283-L287 HydrophobicContact CG-CD1 3.97Å; Q283-L287 HydrophobicContact CG-CG 4.18Å; Q283-L287 WeakPolarHBondContact O-CG 3.08Å; Q283-L287 PolarHBondContact O-N 3.24Å; Q283-W309 HydrophobicContact CB-CE3 4.01Å; Q283-W309 HydrophobicContact CB-CH2 4.21Å; Q283-W309 HydrophobicContact CB-CZ3 3.63Å; Q283-W309 HydrophobicContact CG-CH2 4.4Å; Q283-W309 HydrophobicContact CG-CZ3 4.28Å; Q283-P396 HydrophobicContact CB-CG 3.87Å; Q283-P396 VanDerWaalsContact CD-CB 3.45Å; Q283-P396 HydrophobicContact CG-CG 4.31Å; Q283-P396 VanDerWaalsContact NE2-CB 3.3Å; Q283-P396 VanDerWaalsContact OE1-CB 3.26Å; Q283-D399 PolarHBondContact NE2-OD2 3.22Å
284Q95.5Very high92.6Very high92 Ų9258.6 Ų58.643%0.4329%0.287SS..Hα-helixtrans-56.6-48.1179.2179.656.638.300111.7R280 S282 M286 L287 E288R280-Q284 WeakPolarHBondContact O-CB 3.24Å; R280-Q284 PolarHBondContact O-N 2.9Å; S282-Q284 PolarHBondContact O-N 3.33Å; Q284-M286 PolarHBondContact O-N 2.62Å; Q284-L287 PolarHBondContact O-N 2.86Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.34Å; Q284-E288 PolarHBondContact NE2-OE1 3.43Å; Q284-E288 WeakPolarHBondContact O-CG 3.34Å; Q284-E288 PolarHBondContact O-N 2.91Å
285K96.2Very high91.8Very high109 Ų10958.1 Ų58.147%0.47429%0.288SS..Hα-helixtrans-60.4-41.9174.3-73.1-178.3175.5-167.90112.9N281 S282 Q283 E288 V289N281-K285 WeakPolarHBondContact O-CG 3.47Å; N281-K285 PolarHBondContact O-N 2.9Å; N281-K285 VanDerWaalsContact O-N 3.11Å; S282-K285 PolarHBondContact O-N 3.2Å; Q283-K285 PolarHBondContact O-N 3Å; K285-E288 PolarHBondContact O-N 3.43Å; K285-V289 WeakPolarHBondContact O-CG2 3.44Å; K285-V289 PolarHBondContact O-N 2.87Å; K285-V289 VanDerWaalsContact O-N 3.14Å
286M94.8Very high91.2Very high1 Ų158.2 Ų58.21%0.00529%0.293CS..Hα-helixtrans-65.4-38.5178.2172.1-90-76.500111.8S282 Q283 Q284 V289 C290 L304 W309 F501 Y506S282-M286 PolarHBondContact O-N 2.97Å; Q283-M286 HydrophobicContact CG-CE 4.03Å; Q283-M286 PolarHBondContact O-N 2.95Å; Q283-M286 VanDerWaalsContact O-N 3.11Å; Q284-M286 PolarHBondContact O-N 2.62Å; M286-V289 PolarHBondContact O-N 3.47Å; M286-C290 PolarHBondContact O-N 3.45Å; M286-C290 VanDerWaalsContact O-N 3.16Å; M286-C290 PolarHBondContact O-SG 2.85Å; M286-L304 HydrophobicContact CG-CD1 3.99Å; M286-W309 HydrophobicContact CB-CB 4.16Å; M286-W309 HydrophobicContact CB-CG 4.49Å; M286-W309 HydrophobicContact CE-CD2 3.76Å; M286-W309 HydrophobicContact CE-CE3 4.43Å; M286-W309 HydrophobicContact CE-CG 3.85Å; M286-W309 HydrophobicContact CE-CZ2 4.27Å; M286-W309 HydrophobicContact CG-CB 4.29Å; M286-W309 HydrophobicContact CG-CG 4.33Å; M286-F501 HydrophobicContact CG-CE2 3.9Å; M286-F501 HydrophobicContact SD-CE2 3.78Å; M286-F501 HydrophobicContact SD-CZ 4.19Å; M286-Y506 HydrophobicContact CE-CD1 4Å; M286-Y506 HydrophobicContact CE-CD2 4.31Å; M286-Y506 HydrophobicContact CE-CE1 3.49Å; M286-Y506 VanDerWaalsContact CE-CE1 3.49Å; M286-Y506 HydrophobicContact CE-CE2 3.82Å; M286-Y506 HydrophobicContact CE-CG 4.4Å; M286-Y506 HydrophobicContact SD-CD1 4.01Å; M286-Y506 HydrophobicContact SD-CD2 4.25Å; M286-Y506 HydrophobicContact SD-CE1 4.14Å; M286-Y506 HydrophobicContact SD-CE2 4.34Å; M286-Y506 HydrophobicContact SD-CG 4.09Å
287L92.6Very high90.7Very high30 Ų3063.2 Ų63.216%0.15732%0.317CS..Hα-helixtrans-68.3-39.1174.4-66.9175.4000112F77 Q283 Q284 V289 C290 E291 Y506F77-L287 HydrophobicContact CB-CD2 4.47Å; F77-L287 HydrophobicContact CD1-CD1 3.93Å; F77-L287 HydrophobicContact CD1-CD2 3.52Å; F77-L287 HydrophobicContact CD1-CG 4.39Å; F77-L287 HydrophobicContact CE1-CD1 4.04Å; F77-L287 HydrophobicContact CE1-CD2 4.06Å; F77-L287 HydrophobicContact CG-CD2 4.09Å; Q283-L287 HydrophobicContact CG-CD1 3.97Å; Q283-L287 HydrophobicContact CG-CG 4.18Å; Q283-L287 WeakPolarHBondContact O-CG 3.08Å; Q283-L287 PolarHBondContact O-N 3.24Å; Q284-L287 PolarHBondContact O-N 2.86Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 3.45Å; L287-C290 CarbonylContact O-C 3.55Å; L287-C290 WeakPolarHBondContact O-CA 3.45Å; L287-C290 WeakPolarHBondContact O-CB 3.46Å; L287-C290 PolarHBondContact O-N 3.28Å; L287-E291 PolarHBondContact O-N 3.31Å; L287-Y506 HydrophobicContact CD2-CD1 4.05Å
288E91.9Very high90.3Very high97 Ų9762.9 Ų62.945%0.45332%0.324SS..Hα-helixtrans-57.9-39.6173.4-75.2162.1-169.900112.2Q284 K285 C290 E291 L292Q284-E288 WeakPolarHBondContact CG-OE1 3.34Å; Q284-E288 PolarHBondContact NE2-OE1 3.43Å; Q284-E288 WeakPolarHBondContact O-CG 3.34Å; Q284-E288 PolarHBondContact O-N 2.91Å; K285-E288 PolarHBondContact O-N 3.43Å; E288-C290 VanDerWaalsContact C-N 3.32Å; E288-E291 PolarHBondContact O-N 2.97Å; E288-L292 PolarHBondContact O-N 3.04Å
289V90.3Very high89.8Confident18 Ų1864.6 Ų64.611%0.10933%0.331CS..Hα-helixtrans-65.9-35.1173.4174.80000111.6K285 M286 L287 L292 F300K285-V289 WeakPolarHBondContact O-CG2 3.44Å; K285-V289 PolarHBondContact O-N 2.87Å; K285-V289 VanDerWaalsContact O-N 3.14Å; M286-V289 PolarHBondContact O-N 3.47Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 3.45Å; V289-L292 HydrophobicContact CG1-CD1 4.4Å; V289-L292 WeakPolarHBondContact O-CB 3.33Å; V289-L292 WeakPolarHBondContact O-CG 3.26Å; V289-L292 PolarHBondContact O-N 3.12Å; V289-F300 HydrophobicContact CG1-CD2 3.66Å; V289-F300 HydrophobicContact CG1-CE2 3.94Å; V289-F300 HydrophobicContact CG1-CG 4.36Å
290C86.7Confident89.3Confident10 Ų1065.9 Ų65.97%0.06834%0.337CS..Hα-helixtrans-72.7-26.4174.5-60.10000112.9R17 M286 L287 E288 L292 F501R17-C290 VanDerWaalsContact CZ-O 3.24Å; R17-C290 PolarHBondContact NH2-O 3.37Å; M286-C290 PolarHBondContact O-N 3.45Å; M286-C290 VanDerWaalsContact O-N 3.16Å; M286-C290 PolarHBondContact O-SG 2.85Å; L287-C290 CarbonylContact O-C 3.55Å; L287-C290 WeakPolarHBondContact O-CA 3.45Å; L287-C290 WeakPolarHBondContact O-CB 3.46Å; L287-C290 PolarHBondContact O-N 3.28Å; E288-C290 VanDerWaalsContact C-N 3.32Å; C290-L292 VanDerWaalsContact C-N 3.28Å; C290-L292 PolarHBondContact O-N 3.28Å; C290-F501 WeakPolarHBondContact SG-CZ 3.27Å
291E85.6Confident88.9Confident51 Ų5167.4 Ų67.424%0.23835%0.349CS..THydrogen-bonded Turntrans-75.9-10.5175.2-73.9-169-160.900113.8R73 I79 L287 E288 R293R73-E291 IonicContact CZ-OE1 2.8Å; R73-E291 IonicContact CZ-OE2 3.39Å; R73-E291 IonicContact NE-OE1 3.42Å; R73-E291 PolarHBondContact NE-OE1 2.9Å; R73-E291 IonicContact NE-OE2 3.06Å; R73-E291 IonicContact NH2-OE1 2.73Å; R73-E291 IonicContact NH2-OE2 2.7Å; R73-E291 PolarHBondContact NH2-OE2 3.41Å; I79-E291 HydrophobicContact CD1-CG 3.43Å; I79-E291 VanDerWaalsContact CD1-CG 3.43Å; I79-E291 VanDerWaalsContact CD1-OE1 3.28Å; I79-E291 WeakPolarHBondContact CD1-OE1 3.48Å; L287-E291 PolarHBondContact O-N 3.31Å; E288-E291 PolarHBondContact O-N 2.97Å; E291-R293 PolarHBondContact O-N 3.16Å
292L83.9Confident88.6Confident79 Ų7969 Ų6941%0.41435%0.354SS..  trans-61129.8176.6-62.3176.1000111.2E288 V289 C290 P295E288-L292 PolarHBondContact O-N 3.04Å; V289-L292 HydrophobicContact CG1-CD1 4.4Å; V289-L292 WeakPolarHBondContact O-CB 3.33Å; V289-L292 WeakPolarHBondContact O-CG 3.26Å; V289-L292 PolarHBondContact O-N 3.12Å; C290-L292 VanDerWaalsContact C-N 3.28Å; C290-L292 PolarHBondContact O-N 3.28Å; L292-P295 HydrophobicContact CB-CB 4.05Å; L292-P295 HydrophobicContact CB-CG 3.92Å; L292-P295 HydrophobicContact CD1-CB 3.92Å; L292-P295 HydrophobicContact CD1-CG 4.48Å
293R75.9Confident88.3Confident201 Ų20169.3 Ų69.376%0.75836%0.358SS*.SBendtrans-69.6-35.6-173-68.5-176.7179.1173.50.3114.3E291E291-R293 PolarHBondContact O-N 3.16Å
294S74.8Confident88Confident109 Ų10968.8 Ų68.876%0.76236%0.355SS*.SBendtrans-160.460-176.9610000110.9
295P80.8Confident87.8Confident46 Ų4672.1 Ų72.130%0.29937%0.371SS..  trans-64.5149.317630.4-34.8000110.3L292 D299 F300L292-P295 HydrophobicContact CB-CB 4.05Å; L292-P295 HydrophobicContact CB-CG 3.92Å; L292-P295 HydrophobicContact CD1-CB 3.92Å; L292-P295 HydrophobicContact CD1-CG 4.48Å; P295-D299 HydrophobicContact CB-CB 4.2Å; P295-F300 HydrophobicContact CB-CB 4.36Å; P295-F300 HydrophobicContact CG-CB 4.39Å
296S86.1Confident87.8Confident53 Ų5370.8 Ų70.837%0.37138%0.375SS..  trans-69.1166162.277.30000110S298 D299 F300S296-S298 PolarHBondContact O-N 3.16Å; S296-S298 PolarHBondContact OG-N 3.18Å; S296-D299 WeakPolarHBondContact CA-OD2 3.33Å; S296-D299 WeakPolarHBondContact CB-OD2 3.42Å; S296-D299 PolarHBondContact N-OD2 3.28Å; S296-D299 PolarHBondContact O-N 2.92Å; S296-D299 PolarHBondContact OG-N 2.96Å; S296-D299 PolarHBondContact OG-OD1 3.43Å; S296-D299 PolarHBondContact OG-OD2 3.19Å; S296-F300 WeakPolarHBondContact O-CB 3.43Å; S296-F300 PolarHBondContact O-N 3.15Å
297M86.3Confident87.8Confident123 Ų12371 Ų7161%0.60638%0.377SS*.Hα-helixtrans-62.3-34.4175.9-17160.859.100111.5L301M297-L301 HydrophobicContact CG-CD1 3.96Å; M297-L301 HydrophobicContact CG-CG 4.46Å; M297-L301 WeakPolarHBondContact O-CB 3.16Å; M297-L301 VanDerWaalsContact O-CG 3.22Å; M297-L301 WeakPolarHBondContact O-CG 3.44Å; M297-L301 PolarHBondContact O-N 2.83Å; M297-L301 HydrophobicContact SD-CD1 4.33Å; M297-L301 HydrophobicContact SD-CG 4.37Å
298S88.4Confident87.9Confident69 Ų6970.3 Ų70.348%0.48338%0.377SS..Hα-helixtrans-64.6-53.2175.4-52.50000111S296 F300 L301 E302S296-S298 PolarHBondContact O-N 3.16Å; S296-S298 PolarHBondContact OG-N 3.18Å; S298-F300 PolarHBondContact O-N 3.03Å; S298-L301 PolarHBondContact O-N 3.28Å; S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 WeakPolarHBondContact O-CG 3.49Å; S298-E302 PolarHBondContact O-N 2.8Å
299D88.3Confident88.1Confident83 Ų8365.7 Ų65.744%0.44436%0.355SS..Hα-helixtrans-57.3-38.9180-46.9-47.4000111.8P295 S296 G303P295-D299 HydrophobicContact CB-CB 4.2Å; S296-D299 WeakPolarHBondContact CA-OD2 3.33Å; S296-D299 WeakPolarHBondContact CB-OD2 3.42Å; S296-D299 PolarHBondContact N-OD2 3.28Å; S296-D299 PolarHBondContact O-N 2.92Å; S296-D299 PolarHBondContact OG-N 2.96Å; S296-D299 PolarHBondContact OG-OD1 3.43Å; S296-D299 PolarHBondContact OG-OD2 3.19Å; D299-G303 PolarHBondContact O-N 2.84Å
300F88.5Confident88.2Confident27 Ų2766 Ų6612%0.11836%0.357CS..Hα-helixtrans-67.2-43177.4-179.5-91.6000112.3V289 P295 S296 S298 L304 F501V289-F300 HydrophobicContact CG1-CD2 3.66Å; V289-F300 HydrophobicContact CG1-CE2 3.94Å; V289-F300 HydrophobicContact CG1-CG 4.36Å; P295-F300 HydrophobicContact CB-CB 4.36Å; P295-F300 HydrophobicContact CG-CB 4.39Å; S296-F300 WeakPolarHBondContact O-CB 3.43Å; S296-F300 PolarHBondContact O-N 3.15Å; S298-F300 PolarHBondContact O-N 3.03Å; F300-L304 HydrophobicContact CE1-CD2 4.15Å; F300-L304 VanDerWaalsContact O-CB 3.24Å; F300-L304 WeakPolarHBondContact O-CB 3.46Å; F300-L304 PolarHBondContact O-N 3.45Å; F300-F501 AromaticContact CZ-CD1 3.83Å; F300-F501 HydrophobicContact CZ-CD1 3.83Å; F300-F501 HydrophobicContact CZ-CE1 4.02Å; F300-F501 HydrophobicContact CZ-CG 4.3Å
301L88.9Confident88.5Confident95 Ų9573.1 Ų73.150%0.49739%0.386SS..Hα-helixtrans-71.8-43.6-179.6-70.1172.7000111.9M297 S298 L304 E305M297-L301 HydrophobicContact CG-CD1 3.96Å; M297-L301 HydrophobicContact CG-CG 4.46Å; M297-L301 WeakPolarHBondContact O-CB 3.16Å; M297-L301 VanDerWaalsContact O-CG 3.22Å; M297-L301 WeakPolarHBondContact O-CG 3.44Å; M297-L301 PolarHBondContact O-N 2.83Å; M297-L301 HydrophobicContact SD-CD1 4.33Å; M297-L301 HydrophobicContact SD-CG 4.37Å; S298-L301 PolarHBondContact O-N 3.28Å; L301-L304 PolarHBondContact O-N 2.95Å; L301-E305 WeakPolarHBondContact O-CB 3.04Å; L301-E305 PolarHBondContact O-N 3.38Å
302E90.6Very high89Confident127 Ų12771.7 Ų71.759%0.59338%0.38SS*.Hα-helixtrans-64-40.8174.7-69.3173-153.800111.5S298 E305 S306S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 WeakPolarHBondContact O-CG 3.49Å; S298-E302 PolarHBondContact O-N 2.8Å; E302-E305 PolarHBondContact O-N 3.04Å; E302-S306 VanDerWaalsContact O-CB 3.27Å; E302-S306 WeakPolarHBondContact O-CB 3.17Å; E302-S306 PolarHBondContact O-N 3.46Å; E302-S306 PolarHBondContact O-OG 3.14Å
303G91.9Very high89.5Confident11 Ų1168 Ų6811%0.11336%0.36CS..Hα-helixtrans-60.5-47171.300000112.5D299 S306 S307D299-G303 PolarHBondContact O-N 2.84Å; G303-S306 WeakPolarHBondContact CA-OG 3.45Å; G303-S306 PolarHBondContact O-N 3.41Å; G303-S306 PolarHBondContact O-OG 3.43Å; G303-S307 PolarHBondContact O-N 2.61Å
304L91.1Very high90.3Very high13 Ų1360.6 Ų60.67%0.06833%0.334CS..Hα-helixtrans-65.4-39.5178.3-178.161.7000112.1M286 F300 L301 S307 L310 F501M286-L304 HydrophobicContact CG-CD1 3.99Å; F300-L304 HydrophobicContact CE1-CD2 4.15Å; F300-L304 VanDerWaalsContact O-CB 3.24Å; F300-L304 WeakPolarHBondContact O-CB 3.46Å; F300-L304 PolarHBondContact O-N 3.45Å; L301-L304 PolarHBondContact O-N 2.95Å; L304-S307 WeakPolarHBondContact O-CB 3.35Å; L304-S307 PolarHBondContact O-OG 3.01Å; L304-L310 HydrophobicContact CD2-CD1 3.93Å; L304-L310 HydrophobicContact CG-CD1 4.26Å; L304-F501 HydrophobicContact CD1-CD2 3.8Å; L304-F501 HydrophobicContact CD1-CE2 4.17Å; L304-F501 HydrophobicContact CD2-CB 3.93Å; L304-F501 HydrophobicContact CD2-CD2 4.13Å; L304-F501 HydrophobicContact CD2-CG 4.2Å
305E91.4Very high91.3Very high162 Ų16256.2 Ų56.276%0.75730%0.304SS*.Hα-helixtrans-66-48.3175.5-177.6168.5-165.700111.5L301 E302 S307 G308L301-E305 WeakPolarHBondContact O-CB 3.04Å; L301-E305 PolarHBondContact O-N 3.38Å; E302-E305 PolarHBondContact O-N 3.04Å; E305-S307 PolarHBondContact O-N 2.67Å; E305-G308 PolarHBondContact O-N 2.93Å
306S94.4Very high92.1Very high81 Ų8154 Ų5457%0.56629%0.29SS*.Hα-helixtrans-66.8-1917964.60000114.2E302 G303 G308E302-S306 VanDerWaalsContact O-CB 3.27Å; E302-S306 WeakPolarHBondContact O-CB 3.17Å; E302-S306 PolarHBondContact O-N 3.46Å; E302-S306 PolarHBondContact O-OG 3.14Å; G303-S306 WeakPolarHBondContact CA-OG 3.45Å; G303-S306 PolarHBondContact O-N 3.41Å; G303-S306 PolarHBondContact O-OG 3.43Å; S306-G308 PolarHBondContact O-N 3.2Å
307S95.5Very high92.6Very high5 Ų551.5 Ų51.54%0.03527%0.272CS..THydrogen-bonded Turntrans-65.6-27.6167.583.40000112.9S282 G303 L304 E305 W309S282-S307 WeakPolarHBondContact CA-O 3.4Å; S282-S307 VanDerWaalsContact CB-O 3.28Å; S282-S307 WeakPolarHBondContact CB-O 3.36Å; S282-S307 PolarHBondContact OG-O 2.77Å; G303-S307 PolarHBondContact O-N 2.61Å; L304-S307 WeakPolarHBondContact O-CB 3.35Å; L304-S307 PolarHBondContact O-OG 3.01Å; E305-S307 PolarHBondContact O-N 2.67Å; S307-W309 PolarHBondContact O-N 3.28Å; S307-W309 WeakPolarHBondContact OG-CB 3.38Å; S307-W309 PolarHBondContact OG-N 3.49Å; S307-W309 VanDerWaalsContact OG-N 3.11Å
308G94.6Very high93Very high16 Ų1648 Ų4817%0.16526%0.256CS..THydrogen-bonded Turntrans69.82.3-173.100000115.2E305 S306 L310 K311 H312E305-G308 PolarHBondContact O-N 2.93Å; S306-G308 PolarHBondContact O-N 3.2Å; G308-L310 PolarHBondContact O-N 3.21Å; G308-K311 WeakPolarHBondContact O-CB 3.2Å; G308-K311 PolarHBondContact O-N 3.06Å; G308-K311 VanDerWaalsContact O-N 3.1Å; G308-H312 PolarHBondContact O-CD2 2.81Å; G308-H312 PolarHBondContact O-N 3.2Å; G308-H312 VanDerWaalsContact O-N 3.11Å
309W95.4Very high93.5Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-58.5-54.6-169-177.6-105.7000112.9S282 Q283 M286 S307 K311 H312 I313 P396 Q400 E403 Y506S282-W309 VanDerWaalsContact OG-CA 3.25Å; S282-W309 WeakPolarHBondContact OG-CA 3.14Å; S282-W309 PolarHBondContact OG-N 3.41Å; Q283-W309 HydrophobicContact CB-CE3 4.01Å; Q283-W309 HydrophobicContact CB-CH2 4.21Å; Q283-W309 HydrophobicContact CB-CZ3 3.63Å; Q283-W309 HydrophobicContact CG-CH2 4.4Å; Q283-W309 HydrophobicContact CG-CZ3 4.28Å; M286-W309 HydrophobicContact CB-CB 4.16Å; M286-W309 HydrophobicContact CB-CG 4.49Å; M286-W309 HydrophobicContact CE-CD2 3.76Å; M286-W309 HydrophobicContact CE-CE3 4.43Å; M286-W309 HydrophobicContact CE-CG 3.85Å; M286-W309 HydrophobicContact CE-CZ2 4.27Å; M286-W309 HydrophobicContact CG-CB 4.29Å; M286-W309 HydrophobicContact CG-CG 4.33Å; S307-W309 PolarHBondContact O-N 3.28Å; S307-W309 WeakPolarHBondContact OG-CB 3.38Å; S307-W309 PolarHBondContact OG-N 3.49Å; S307-W309 VanDerWaalsContact OG-N 3.11Å; W309-K311 PolarHBondContact O-N 2.83Å; W309-H312 WeakPolarHBondContact O-CB 3.43Å; W309-H312 PolarHBondContact O-N 3.45Å; W309-I313 HydrophobicContact CZ2-CD1 4.09Å; W309-I313 PolarHBondContact O-N 3.34Å; W309-P396 HydrophobicContact CH2-CB 4.12Å; W309-P396 HydrophobicContact CH2-CG 3.84Å; W309-P396 HydrophobicContact CZ3-CG 3.86Å; W309-Q400 HydrophobicContact CH2-CG 3.33Å; W309-Q400 HydrophobicContact CZ2-CG 3.79Å; W309-Q400 HydrophobicContact CZ3-CG 3.91Å; W309-E403 PolarHBondContact NE1-OE2 2.97Å; W309-Y506 VanDerWaalsContact CZ2-OH 3.28Å; W309-Y506 WeakPolarHBondContact CZ2-OH 3.36Å
310L92.7Very high93.9Very high26 Ų2640.8 Ų40.814%0.13621%0.212CC..Hα-helixtrans-62.7-27.6178.6-64.4179.3000113.1L304 G308 K314 H499L304-L310 HydrophobicContact CD2-CD1 3.93Å; L304-L310 HydrophobicContact CG-CD1 4.26Å; G308-L310 PolarHBondContact O-N 3.21Å; L310-K314 WeakPolarHBondContact O-CB 3.29Å; L310-K314 PolarHBondContact O-N 2.86Å; L310-H499 HydrophobicContact CD1-CB 4.48Å
311K92.9Very high94.4Very high158 Ų15841.4 Ų41.469%0.68722%0.218SC*.Hα-helixtrans-67.9-36.8173.5177.3-176.6176.8-1790111.3G308 W309 A315G308-K311 WeakPolarHBondContact O-CB 3.2Å; G308-K311 PolarHBondContact O-N 3.06Å; G308-K311 VanDerWaalsContact O-N 3.1Å; W309-K311 PolarHBondContact O-N 2.83Å; K311-A315 PolarHBondContact O-N 3.18Å; K311-A315 VanDerWaalsContact O-N 3.08Å
312H95.8Very high94.8Very high22 Ų2239.3 Ų39.310%0.10221%0.205CC..Hα-helixtrans-71.6-43.4174.7-63.5-52.7000112.1M279 S282 G308 W309 K314 A315 V316M279-H312 HydrophobicContact CE-CB 4.09Å; M279-H312 HydrophobicContact SD-CB 3.75Å; M279-H312 VanDerWaalsContact SD-CG 3.52Å; S282-H312 PolarHBondContact OG-CD2 3.11Å; G308-H312 PolarHBondContact O-CD2 2.81Å; G308-H312 PolarHBondContact O-N 3.2Å; G308-H312 VanDerWaalsContact O-N 3.11Å; W309-H312 WeakPolarHBondContact O-CB 3.43Å; W309-H312 PolarHBondContact O-N 3.45Å; H312-K314 VanDerWaalsContact C-N 3.3Å; H312-K314 PolarHBondContact O-N 3.41Å; H312-A315 PolarHBondContact O-N 3.34Å; H312-A315 VanDerWaalsContact O-N 3.15Å; H312-V316 WeakPolarHBondContact O-CG2 3.19Å; H312-V316 PolarHBondContact O-N 3.05Å; H312-V316 VanDerWaalsContact O-N 3.1Å
313I95.4Very high95.2Very high1 Ų133.3 Ų33.31%0.00518%0.177CC..Hα-helixtrans-55.4-46.8172-59.5-57.9000110.6W309 A315 V316 L317 Q400 E403 Q407W309-I313 HydrophobicContact CZ2-CD1 4.09Å; W309-I313 PolarHBondContact O-N 3.34Å; I313-A315 PolarHBondContact O-N 2.84Å; I313-V316 PolarHBondContact O-N 3.09Å; I313-L317 HydrophobicContact CG2-CD1 3.98Å; I313-L317 PolarHBondContact O-N 3.44Å; I313-Q400 HydrophobicContact CD1-CB 3.83Å; I313-Q400 HydrophobicContact CD1-CG 3.79Å; I313-E403 HydrophobicContact CD1-CB 4.07Å; I313-E403 HydrophobicContact CD1-CG 4.25Å; I313-E403 HydrophobicContact CG1-CG 4.39Å; I313-E403 HydrophobicContact CG2-CG 4.41Å; I313-Q407 HydrophobicContact CG2-CG 4.18Å
314K93.5Very high95.5Very high45 Ų4532.8 Ų32.820%0.19617%0.172CC..Hα-helixtrans-56.9-45.6175.3-166.8-152.4-175.2-52.60112.5L310 H312 V316 L317 D318 T491L310-K314 WeakPolarHBondContact O-CB 3.29Å; L310-K314 PolarHBondContact O-N 2.86Å; H312-K314 VanDerWaalsContact C-N 3.3Å; H312-K314 PolarHBondContact O-N 3.41Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.34Å; K314-L317 PolarHBondContact O-N 3.46Å; K314-D318 IonicContact NZ-OD1 3.78Å; K314-D318 PolarHBondContact NZ-OD1 2.78Å; K314-D318 IonicContact NZ-OD2 3.24Å; K314-D318 PolarHBondContact NZ-OD2 3.42Å; K314-D318 WeakPolarHBondContact O-CB 3.43Å; K314-D318 VanDerWaalsContact O-CG 3.26Å; K314-D318 PolarHBondContact O-N 2.63Å; K314-T491 WeakPolarHBondContact CE-O 3.46Å; K314-T491 PolarHBondContact NZ-O 2.95Å; K314-T491 PolarHBondContact NZ-OG1 2.86Å
315A95.4Very high95.7Very high18 Ų1837.7 Ų37.715%0.14919%0.193CC..Hα-helixtrans-64.1-36.5-179.800000112.9I273 K311 H312 I313 T319I273-A315 HydrophobicContact CG1-CB 4.26Å; K311-A315 PolarHBondContact O-N 3.18Å; K311-A315 VanDerWaalsContact O-N 3.08Å; H312-A315 PolarHBondContact O-N 3.34Å; H312-A315 VanDerWaalsContact O-N 3.15Å; I313-A315 PolarHBondContact O-N 2.84Å; A315-T319 WeakPolarHBondContact O-CB 3.27Å; A315-T319 PolarHBondContact O-N 2.82Å; A315-T319 PolarHBondContact O-OG1 3.11Å
316V97.4Very high96.1Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-65-45.8172.7-179.10000110.8I273 H312 I313 K314 T319 G320 Q346 V347 V350I273-V316 HydrophobicContact CD1-CG2 4.21Å; I273-V316 HydrophobicContact CG2-CG2 4.15Å; H312-V316 WeakPolarHBondContact O-CG2 3.19Å; H312-V316 PolarHBondContact O-N 3.05Å; H312-V316 VanDerWaalsContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 3.09Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.34Å; V316-T319 PolarHBondContact O-N 2.9Å; V316-G320 PolarHBondContact O-N 3.05Å; V316-Q346 HydrophobicContact CG1-CB 3.85Å; V316-V347 HydrophobicContact CG1-CG1 4.14Å; V316-V350 HydrophobicContact CG1-CG2 4.32Å
317L96Very high96.2Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-64.2-48.3177.8-75.9166.3000112.9I313 K314 T319 G320 V321 V350 C404 Q407 L408 L498I313-L317 HydrophobicContact CG2-CD1 3.98Å; I313-L317 PolarHBondContact O-N 3.44Å; K314-L317 PolarHBondContact O-N 3.46Å; L317-T319 PolarHBondContact O-N 3.24Å; L317-G320 PolarHBondContact O-N 3.04Å; L317-G320 VanDerWaalsContact O-N 3.09Å; L317-V321 WeakPolarHBondContact O-CB 3.25Å; L317-V321 VanDerWaalsContact O-CG2 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.32Å; L317-V321 PolarHBondContact O-N 3.17Å; L317-V350 HydrophobicContact CD2-CG1 4.06Å; L317-C404 HydrophobicContact CD2-CB 3.82Å; L317-C404 HydrophobicContact CG-CB 4.1Å; L317-Q407 HydrophobicContact CD1-CB 4.24Å; L317-L408 HydrophobicContact CD2-CD1 4.45Å; L317-L408 HydrophobicContact CD2-CD2 4.22Å; L317-L408 HydrophobicContact CD2-CG 4.16Å; L317-L498 HydrophobicContact CD1-CD1 3.73Å; L317-L498 HydrophobicContact CD1-CD2 4.02Å; L317-L498 HydrophobicContact CD1-CG 4.05Å
318D95.5Very high96.3Very high50 Ų5028 Ų2827%0.26715%0.146SC..Hα-helixtrans-52.8-39.8175.3-74.2-22.6000111K314 F322 T491K314-D318 IonicContact NZ-OD1 3.78Å; K314-D318 PolarHBondContact NZ-OD1 2.78Å; K314-D318 IonicContact NZ-OD2 3.24Å; K314-D318 PolarHBondContact NZ-OD2 3.42Å; K314-D318 WeakPolarHBondContact O-CB 3.43Å; K314-D318 VanDerWaalsContact O-CG 3.26Å; K314-D318 PolarHBondContact O-N 2.63Å; D318-F322 WeakPolarHBondContact O-CB 3.4Å; D318-F322 PolarHBondContact O-N 2.8Å; D318-T491 WeakPolarHBondContact OD1-CB 3.47Å; D318-T491 WeakPolarHBondContact OD1-CG2 3.38Å; D318-T491 PolarHBondContact OD1-OG1 2.86Å
319T97.9Very high96.3Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-70.3-44.7177.6-530000112.6V239 T241 M271 I273 A315 V316 L317 V321 F322 I323 V347V239-T319 HydrophobicContact CG1-CG2 4.22Å; T241-T319 HydrophobicContact CG2-CG2 4.31Å; M271-T319 HydrophobicContact CB-CG2 3.99Å; M271-T319 WeakPolarHBondContact CB-OG1 3.16Å; M271-T319 HydrophobicContact CE-CG2 4.25Å; M271-T319 HydrophobicContact CG-CG2 3.82Å; I273-T319 HydrophobicContact CD1-CG2 4.42Å; A315-T319 WeakPolarHBondContact O-CB 3.27Å; A315-T319 PolarHBondContact O-N 2.82Å; A315-T319 PolarHBondContact O-OG1 3.11Å; V316-T319 PolarHBondContact O-N 2.9Å; L317-T319 PolarHBondContact O-N 3.24Å; T319-V321 VanDerWaalsContact C-N 3.3Å; T319-V321 PolarHBondContact O-N 3.41Å; T319-F322 PolarHBondContact O-N 3.13Å; T319-I323 HydrophobicContact CG2-CD1 3.89Å; T319-I323 WeakPolarHBondContact O-CD1 3.41Å; T319-I323 VanDerWaalsContact O-CG1 3.3Å; T319-I323 WeakPolarHBondContact O-CG1 3.42Å; T319-I323 PolarHBondContact O-N 3.23Å; T319-V347 HydrophobicContact CG2-CB 3.81Å; T319-V347 HydrophobicContact CG2-CG1 3.6Å; T319-V347 HydrophobicContact CG2-CG2 4.04Å
320G97.9Very high96.4Very high0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-59.4-40.5173.500000112.4V316 L317 I323 A324V316-G320 PolarHBondContact O-N 3.05Å; L317-G320 PolarHBondContact O-N 3.04Å; L317-G320 VanDerWaalsContact O-N 3.09Å; G320-I323 PolarHBondContact O-N 2.74Å; G320-A324 WeakPolarHBondContact O-CB 3.47Å; G320-A324 PolarHBondContact O-N 3.5Å
321V97.1Very high96.7Very high40 Ų4032.8 Ų32.824%0.24217%0.165CC..Hα-helixtrans-65-44.1176.11710000111.6L317 T319 A324 K325 L354 P489 T491L317-V321 WeakPolarHBondContact O-CB 3.25Å; L317-V321 VanDerWaalsContact O-CG2 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.32Å; L317-V321 PolarHBondContact O-N 3.17Å; T319-V321 VanDerWaalsContact C-N 3.3Å; T319-V321 PolarHBondContact O-N 3.41Å; V321-A324 PolarHBondContact O-N 2.85Å; V321-K325 VanDerWaalsContact O-CB 3.25Å; V321-K325 WeakPolarHBondContact O-CB 3.47Å; V321-K325 PolarHBondContact O-N 2.68Å; V321-L354 HydrophobicContact CB-CD1 4.46Å; V321-L354 HydrophobicContact CG2-CD1 3.8Å; V321-P489 HydrophobicContact CG2-CG 3.47Å; V321-P489 VanDerWaalsContact CG2-CG 3.47Å; V321-T491 HydrophobicContact CG2-CG2 4.36Å
322F98.1Very high96.9Very high51 Ų5125.3 Ų25.322%0.22413%0.133CC..Hα-helixtrans-59.1-49.5175.4177-91.8000111.7Y237 V239 Q269 M271 D318 T319 K325 A326Y237-F322 HydrophobicContact CD1-CE1 4.33Å; Y237-F322 AromaticContact CD1-CZ 3.91Å; Y237-F322 HydrophobicContact CD1-CZ 3.91Å; Y237-F322 AromaticContact CE1-CZ 3.9Å; Y237-F322 HydrophobicContact CE1-CZ 3.9Å; Y237-F322 HydrophobicContact CG-CE1 4.33Å; Y237-F322 HydrophobicContact CG-CZ 4.24Å; V239-F322 HydrophobicContact CG2-CD1 4.11Å; V239-F322 HydrophobicContact CG2-CE1 3.72Å; Q269-F322 HydrophobicContact CB-CZ 4.41Å; Q269-F322 HydrophobicContact CG-CE1 4.29Å; Q269-F322 HydrophobicContact CG-CZ 4.09Å; M271-F322 HydrophobicContact CE-CB 3.79Å; M271-F322 HydrophobicContact CE-CD1 4.5Å; M271-F322 HydrophobicContact CE-CG 4.08Å; D318-F322 WeakPolarHBondContact O-CB 3.4Å; D318-F322 PolarHBondContact O-N 2.8Å; T319-F322 PolarHBondContact O-N 3.13Å; F322-K325 PolarHBondContact O-N 3.22Å; F322-A326 PolarHBondContact O-N 2.61Å
323I98.5Very high97.1Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-63.2-47.3179.5-63.1160.2000110.4I202 T319 G320 K325 A326 V327 V333 V335 V347 A351I202-I323 HydrophobicContact CD1-CG2 3.77Å; I202-I323 HydrophobicContact CG1-CG2 4.03Å; I202-I323 HydrophobicContact CG2-CG2 4.49Å; T319-I323 HydrophobicContact CG2-CD1 3.89Å; T319-I323 WeakPolarHBondContact O-CD1 3.41Å; T319-I323 VanDerWaalsContact O-CG1 3.3Å; T319-I323 WeakPolarHBondContact O-CG1 3.42Å; T319-I323 PolarHBondContact O-N 3.23Å; G320-I323 PolarHBondContact O-N 2.74Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å; I323-A326 PolarHBondContact O-N 3.4Å; I323-V327 HydrophobicContact CG2-CG2 4.46Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 2.75Å; I323-V333 HydrophobicContact CG1-CG1 4.37Å; I323-V333 HydrophobicContact CG2-CB 4.44Å; I323-V333 HydrophobicContact CG2-CG1 4.37Å; I323-V333 HydrophobicContact CG2-CG2 4.47Å; I323-V335 HydrophobicContact CD1-CG1 4.31Å; I323-V335 HydrophobicContact CD1-CG2 3.74Å; I323-V335 HydrophobicContact CG1-CG2 4.24Å; I323-V335 HydrophobicContact CG2-CG2 4.49Å; I323-V347 HydrophobicContact CD1-CB 3.92Å; I323-V347 HydrophobicContact CD1-CG2 3.6Å; I323-A351 HydrophobicContact CB-CB 3.92Å; I323-A351 HydrophobicContact CG2-CB 3.67Å
324A98.1Very high97.2Very high1 Ų124.2 Ų24.21%0.00813%0.128CC..Hα-helixtrans-61.7-39.3178.700000112.3G320 V321 A328 A351 L354 L355 L486G320-A324 WeakPolarHBondContact O-CB 3.47Å; G320-A324 PolarHBondContact O-N 3.5Å; V321-A324 PolarHBondContact O-N 2.85Å; A324-A328 VanDerWaalsContact O-CB 3.3Å; A324-A328 WeakPolarHBondContact O-CB 3.32Å; A324-A328 PolarHBondContact O-N 2.78Å; A324-A351 HydrophobicContact CB-CB 4.47Å; A324-L354 HydrophobicContact CB-CB 3.76Å; A324-L354 HydrophobicContact CB-CD1 4.03Å; A324-L355 HydrophobicContact CB-CD1 4.44Å; A324-L355 HydrophobicContact CB-CD2 4.36Å; A324-L355 HydrophobicContact CB-CG 3.94Å; A324-L355 WeakPolarHBondContact O-CD2 3.16Å; A324-L486 HydrophobicContact CB-CD1 3.92Å
325K97.2Very high97.5Very high116 Ų11622.1 Ų22.150%0.50412%0.118SC..Hα-helixtrans-63-50.6175.1-178.6-179.6171.3-175.70111.5V321 F322 I323 V327 A328 E329V321-K325 VanDerWaalsContact O-CB 3.25Å; V321-K325 WeakPolarHBondContact O-CB 3.47Å; V321-K325 PolarHBondContact O-N 2.68Å; F322-K325 PolarHBondContact O-N 3.22Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å; K325-V327 VanDerWaalsContact C-N 3.33Å; K325-V327 PolarHBondContact O-N 2.75Å; K325-A328 PolarHBondContact O-N 2.89Å; K325-E329 WeakPolarHBondContact CE-OE1 3.35Å; K325-E329 IonicContact NZ-OE1 3.43Å; K325-E329 WeakPolarHBondContact O-CG 3.13Å; K325-E329 PolarHBondContact O-N 2.96Å
326A97.8Very high97.6Very high2 Ų221.2 Ų21.22%0.01711%0.111CC..Hα-helixtrans-59-43.6179.800000112.2Y237 F322 I323 E329 G330 I331 V333Y237-A326 HydrophobicContact CD2-CB 3.86Å; Y237-A326 HydrophobicContact CE2-CB 4.1Å; F322-A326 PolarHBondContact O-N 2.61Å; I323-A326 PolarHBondContact O-N 3.4Å; A326-E329 CarbonylContact O-C 3.6Å; A326-E329 PolarHBondContact O-N 3.43Å; A326-G330 PolarHBondContact O-N 2.87Å; A326-I331 WeakPolarHBondContact O-CB 3.4Å; A326-I331 PolarHBondContact O-N 2.92Å; A326-V333 HydrophobicContact CB-CG2 3.85Å
327V97.9Very high97.5Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-66.9-38.3177.71740000111.8Y193 N198 A200 I202 I323 K325 E329 G330 I331 V333 L355Y193-V327 HydrophobicContact CE1-CG1 4.25Å; N198-V327 PolarHBondContact ND2-O 2.82Å; A200-V327 HydrophobicContact CB-CB 4.48Å; A200-V327 HydrophobicContact CB-CG1 3.95Å; A200-V327 WeakPolarHBondContact CB-O 3.42Å; I202-V327 HydrophobicContact CD1-CG2 4.19Å; I202-V327 HydrophobicContact CG1-CG2 3.61Å; I323-V327 HydrophobicContact CG2-CG2 4.46Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 2.75Å; K325-V327 VanDerWaalsContact C-N 3.33Å; K325-V327 PolarHBondContact O-N 2.75Å; V327-E329 VanDerWaalsContact C-N 3.32Å; V327-G330 PolarHBondContact O-N 3.46Å; V327-G330 VanDerWaalsContact O-N 3.12Å; V327-I331 WeakPolarHBondContact CA-O 3.1Å; V327-V333 HydrophobicContact CG2-CG2 3.98Å; V327-L355 HydrophobicContact CB-CD1 3.93Å; V327-L355 HydrophobicContact CB-CD2 4.08Å; V327-L355 HydrophobicContact CG1-CD1 3.73Å; V327-L355 HydrophobicContact CG1-CD2 3.89Å; V327-L355 HydrophobicContact CG1-CG 4.5Å; V327-L355 HydrophobicContact CG2-CD1 4.38Å
328A96.4Very high97.5Very high43 Ų4322.1 Ų22.136%0.35512%0.117SC..Hα-helixtrans-66.6-34174.500000112.6N198 A324 K325 G330 L355 L486N198-A328 PolarHBondContact ND2-O 3.47Å; A324-A328 VanDerWaalsContact O-CB 3.3Å; A324-A328 WeakPolarHBondContact O-CB 3.32Å; A324-A328 PolarHBondContact O-N 2.78Å; K325-A328 PolarHBondContact O-N 2.89Å; A328-G330 PolarHBondContact O-N 3.46Å; A328-L355 HydrophobicContact CB-CD2 4.38Å; A328-L486 HydrophobicContact CB-CD2 3.75Å
329E96.3Very high97.4Very high119 Ų11921.3 Ų21.356%0.55611%0.113SC*.THydrogen-bonded Turntrans-73.3-0.7172.5-71.3171.9175.800113.3K325 A326 V327 I331K325-E329 WeakPolarHBondContact CE-OE1 3.35Å; K325-E329 IonicContact NZ-OE1 3.43Å; K325-E329 WeakPolarHBondContact O-CG 3.13Å; K325-E329 PolarHBondContact O-N 2.96Å; A326-E329 CarbonylContact O-C 3.6Å; A326-E329 PolarHBondContact O-N 3.43Å; V327-E329 VanDerWaalsContact C-N 3.32Å; E329-I331 HydrophobicContact CB-CD1 4.3Å
330G97.1Very high97.4Very high7 Ų721.3 Ų21.37%0.07211%0.113CC..THydrogen-bonded Turntrans88.914.5175.800000114.6N230 A326 V327 A328N230-G330 PolarHBondContact ND2-O 3.46Å; A326-G330 PolarHBondContact O-N 2.87Å; V327-G330 PolarHBondContact O-N 3.46Å; V327-G330 VanDerWaalsContact O-N 3.12Å; A328-G330 PolarHBondContact O-N 3.46Å
331I98.1Very high97.3Very high16 Ų1621.5 Ų21.58%0.08211%0.114CC..  trans-102.9131.9-176.4-55.5159.3000109.6F235 Y237 A326 V327 E329F235-I331 HydrophobicContact CD2-CG2 4.23Å; F235-I331 HydrophobicContact CE2-CD1 4.02Å; F235-I331 HydrophobicContact CE2-CG1 4.41Å; F235-I331 HydrophobicContact CE2-CG2 3.79Å; F235-I331 HydrophobicContact CZ-CD1 3.59Å; F235-I331 HydrophobicContact CZ-CG1 4.07Å; F235-I331 HydrophobicContact CZ-CG2 4.29Å; Y237-I331 HydrophobicContact CD2-CG2 3.68Å; Y237-I331 HydrophobicContact CE2-CD1 4.02Å; Y237-I331 HydrophobicContact CE2-CG2 4.03Å; A326-I331 WeakPolarHBondContact O-CB 3.4Å; A326-I331 PolarHBondContact O-N 2.92Å; V327-I331 WeakPolarHBondContact CA-O 3.1Å; E329-I331 HydrophobicContact CB-CD1 4.3Å
332S98.4Very high97.4Very high1 Ų120.1 Ų20.11%0.00711%0.105CC..  trans-76.5148.3175.4-65.30000111.5A201 N230 M236 Y237A201-S332 PolarHBondContact N-OG 3.06Å; A201-S332 CarbonylContact O-C 3.47Å; A201-S332 WeakPolarHBondContact O-CA 3.49Å; N230-S332 WeakPolarHBondContact CB-OG 3.31Å; N230-S332 PolarHBondContact ND2-OG 3.08Å; N230-S332 VanDerWaalsContact ND2-OG 3.12Å; M236-S332 WeakPolarHBondContact CA-O 3.43Å; M236-S332 WeakPolarHBondContact CB-O 3.39Å; Y237-S332 PolarHBondContact N-O 2.89Å
333V98.7Very high97.4Very high0 Ų018.6 Ų18.60%010%0.098CC..EExtended strand (participates in β ladder)trans-132.7127.6-175.3-170.90000110.6A201 I202 C203 Y237 V239 I323 A326 V327 V335A201-V333 PolarHBondContact O-N 3.2Å; I202-V333 WeakPolarHBondContact CA-O 3.43Å; C203-V333 PolarHBondContact N-O 3.42Å; Y237-V333 CarbonylContact O-C 3.58Å; Y237-V333 WeakPolarHBondContact O-CA 3.4Å; V239-V333 HydrophobicContact CB-CG1 4.35Å; V239-V333 HydrophobicContact CG2-CG1 3.61Å; I323-V333 HydrophobicContact CG1-CG1 4.37Å; I323-V333 HydrophobicContact CG2-CB 4.44Å; I323-V333 HydrophobicContact CG2-CG1 4.37Å; I323-V333 HydrophobicContact CG2-CG2 4.47Å; A326-V333 HydrophobicContact CB-CG2 3.85Å; V327-V333 HydrophobicContact CG2-CG2 3.98Å; V333-V335 HydrophobicContact CG1-CG2 3.95Å
334L98.8Very high97.4Very high0 Ų018.6 Ų18.60%010%0.098CC..EExtended strand (participates in β ladder)trans-96.5124.1164178.262.5000109.3P189 C203 L223 M236 Y237 V238 V239P189-L334 HydrophobicContact CB-CD1 3.93Å; P189-L334 HydrophobicContact CG-CD1 4.29Å; P189-L334 HydrophobicContact CG-CD2 4.17Å; C203-L334 HydrophobicContact CB-CD1 3.73Å; L223-L334 HydrophobicContact CD1-CD2 3.9Å; L223-L334 HydrophobicContact CD2-CD2 3.97Å; L223-L334 HydrophobicContact CG-CD2 3.99Å; M236-L334 HydrophobicContact CE-CB 3.57Å; Y237-L334 PolarHBondContact O-N 3.26Å; V238-L334 WeakPolarHBondContact CA-O 3.44Å; V238-L334 HydrophobicContact CG2-CB 4.38Å; V239-L334 PolarHBondContact N-O 2.93Å
335V98.8Very high97.4Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-110.9128.3-179.8-174.90000110.1I202 C203 R204 S205 T241 I323 V333 T344 V347I202-V335 HydrophobicContact CG2-CG2 4.06Å; C203-V335 PolarHBondContact O-N 3.05Å; R204-V335 VanDerWaalsContact CA-O 3.27Å; R204-V335 WeakPolarHBondContact CA-O 3.48Å; S205-V335 PolarHBondContact N-O 3.19Å; S205-V335 VanDerWaalsContact N-O 3.1Å; T241-V335 HydrophobicContact CG2-CG1 4.16Å; I323-V335 HydrophobicContact CD1-CG1 4.31Å; I323-V335 HydrophobicContact CD1-CG2 3.74Å; I323-V335 HydrophobicContact CG1-CG2 4.24Å; I323-V335 HydrophobicContact CG2-CG2 4.49Å; V333-V335 HydrophobicContact CG1-CG2 3.95Å; V335-T344 HydrophobicContact CB-CG2 4.41Å; V335-T344 HydrophobicContact CG1-CG2 4.07Å; V335-T344 WeakPolarHBondContact O-CG2 3.48Å; V335-V347 HydrophobicContact CG1-CG2 3.48Å; V335-V347 VanDerWaalsContact CG1-CG2 3.48Å
336H98.4Very high97.5Very high0 Ų013 Ų130%07%0.073CC..EExtended strand (participates in β ladder)trans-143.1178.4171.867.897000112.8S205 V238 V239 D240 T241 E258S205-H336 VanDerWaalsContact O-CB 3.28Å; S205-H336 WeakPolarHBondContact O-CB 3.45Å; S205-H336 WeakPolarHBondContact OG-CB 3.33Å; V238-H336 WeakPolarHBondContact CG1-NE2 3.08Å; V239-H336 PolarHBondContact O-N 3.28Å; D240-H336 IonicContact OD2-CE1 3.16Å; T241-H336 PolarHBondContact N-O 3.12Å; T241-H336 PolarHBondContact OG1-O 2.98Å; E258-H336 IonicContact OE1-CD2 2.9Å; E258-H336 IonicContact OE1-NE2 3.71Å; E258-H336 IonicContact OE2-CE1 3.3Å; E258-H336 PolarHBondContact OE2-CE1 3.21Å; E258-H336 IonicContact OE2-NE2 2.64Å; E258-H336 PolarHBondContact OE2-NE2 3.47Å
337C94.8Very high97.5Very high3 Ų313 Ų132%0.027%0.073CC..  trans-145.7-143.2170.5710000107Q207 T241 G340 R343 T344Q207-C337 WeakPolarHBondContact CB-O 3.48Å; Q207-C337 PolarHBondContact N-O 2.88Å; T241-C337 WeakPolarHBondContact OG1-CB 3.24Å; C337-G340 PolarHBondContact SG-N 3.04Å; C337-R343 HydrophobicContact CB-CB 4.24Å; C337-T344 PolarHBondContact N-OG1 3.14Å; C337-T344 PolarHBondContact SG-OG1 3.33Å; C337-T344 VanDerWaalsContact SG-OG1 3.35Å
338S94.9Very high97.5Very high15 Ų1513 Ų1311%0.1057%0.073CC..SBendtrans-64.3-74.6166.1-58.80000111.6Q207Q207-S338 VanDerWaalsContact CG-O 3.29Å; Q207-S338 WeakPolarHBondContact CG-O 3.39Å; Q207-S338 PolarHBondContact N-O 2.94Å; Q207-S338 VanDerWaalsContact NE2-CA 3.32Å; Q207-S338 PolarHBondContact NE2-O 2.92Å
339D95.4Very high97.7Very high33 Ų3310.9 Ų10.918%0.1766%0.056CC..SBendtrans-99.1-8.3-172.5-58-104.5000113.9R185 R187 W341R185-D339 IonicContact CZ-OD1 3.6Å; R185-D339 IonicContact NE-OD1 2.77Å; R185-D339 PolarHBondContact NE-OD1 3.31Å; R185-D339 IonicContact NH2-OD1 3.54Å; R187-D339 WeakPolarHBondContact CD-O 3.5Å; R187-D339 PolarHBondContact NE-O 2.85Å; D339-W341 HydrophobicContact CB-CD2 3.78Å; D339-W341 VanDerWaalsContact CB-CE2 3.46Å; D339-W341 HydrophobicContact CB-CE3 4.09Å; D339-W341 HydrophobicContact CB-CG 4.48Å; D339-W341 HydrophobicContact CB-CH2 3.9Å; D339-W341 HydrophobicContact CB-CZ2 3.51Å; D339-W341 HydrophobicContact CB-CZ3 4.16Å
340G96.3Very high97.8Very high0 Ų05.3 Ų5.30%03%0.029CC..SBendtrans77.218.8172.600000116.5R187 S205 C337 T344R187-G340 PolarHBondContact NH2-O 2.82Å; S205-G340 VanDerWaalsContact O-CA 3.29Å; S205-G340 WeakPolarHBondContact O-CA 3.46Å; C337-G340 PolarHBondContact SG-N 3.04Å; G340-T344 WeakPolarHBondContact CA-OG1 3.47Å
341W97Very high97.8Very high5 Ų55 Ų52%0.0193%0.026CC..SBendtrans-125.9-13-18058.453.4000115.7T160 D339 A345 G377 H378 K379T160-W341 HydrophobicContact CG2-CZ3 4.08Å; D339-W341 HydrophobicContact CB-CD2 3.78Å; D339-W341 VanDerWaalsContact CB-CE2 3.46Å; D339-W341 HydrophobicContact CB-CE3 4.09Å; D339-W341 HydrophobicContact CB-CG 4.48Å; D339-W341 HydrophobicContact CB-CH2 3.9Å; D339-W341 HydrophobicContact CB-CZ2 3.51Å; D339-W341 HydrophobicContact CB-CZ3 4.16Å; W341-A345 WeakPolarHBondContact O-CB 3.33Å; W341-G377 WeakPolarHBondContact CB-O 3.46Å; W341-H378 PolarHBondContact O-ND1 3.26Å; W341-K379 HydrophobicContact CD2-CD 4.28Å; W341-K379 HydrophobicContact CD2-CG 4.32Å; W341-K379 HydrophobicContact CH2-CD 4.11Å; W341-K379 VanDerWaalsContact CH2-CE 3.46Å; W341-K379 HydrophobicContact CZ2-CD 3.58Å; W341-K379 HydrophobicContact CZ2-CG 4.45Å
342D98.2Very high97.8Very high11 Ų114.2 Ų4.26%0.0592%0.022CC..SBendtrans-98.2-96.2178.9-69.2-48.6000109.4I276 T344 A345 Q346 H378 R383 I397I276-D342 HydrophobicContact CG2-CB 4.45Å; D342-T344 PolarHBondContact O-N 3.04Å; D342-T344 VanDerWaalsContact O-N 3.11Å; D342-A345 WeakPolarHBondContact O-CB 3.2Å; D342-A345 PolarHBondContact O-N 3.39Å; D342-Q346 PolarHBondContact O-N 2.85Å; D342-Q346 VanDerWaalsContact O-N 3.16Å; D342-H378 IonicContact OD1-CE1 3.18Å; D342-H378 PolarHBondContact OD1-CE1 2.88Å; D342-H378 VanDerWaalsContact OD1-CE1 3.28Å; D342-H378 IonicContact OD1-ND1 2.8Å; D342-R383 IonicContact OD1-CZ 3.87Å; D342-R383 IonicContact OD1-NE 4Å; D342-R383 PolarHBondContact OD1-NE 3.49Å; D342-R383 IonicContact OD1-NH2 3.96Å; D342-R383 IonicContact OD2-CZ 3.07Å; D342-R383 IonicContact OD2-NE 3.36Å; D342-R383 PolarHBondContact OD2-NE 3.18Å; D342-R383 IonicContact OD2-NH2 3.22Å; D342-R383 PolarHBondContact OD2-NH2 2.88Å; D342-I397 HydrophobicContact CB-CG1 4.41Å; D342-I397 HydrophobicContact CB-CG2 4.06Å
343R98.3Very high97.8Very high19 Ų194.1 Ų4.17%0.0722%0.022CC..Hα-helixtrans-50-37.9177.1-68168.1-76.7-154.4-4.2114.4T241 I273 E274 C337 Q346 V347T241-R343 HydrophobicContact CG2-CB 4.31Å; T241-R343 WeakPolarHBondContact OG1-CB 3.5Å; I273-R343 HydrophobicContact CB-CG 4.15Å; I273-R343 HydrophobicContact CG2-CG 3.72Å; I273-R343 WeakPolarHBondContact O-CD 3.13Å; I273-R343 PolarHBondContact O-NH1 2.91Å; E274-R343 WeakPolarHBondContact O-CD 3.34Å; E274-R343 PolarHBondContact O-NH1 2.92Å; C337-R343 HydrophobicContact CB-CB 4.24Å; R343-Q346 WeakPolarHBondContact O-CB 3.29Å; R343-Q346 PolarHBondContact O-N 3.23Å; R343-V347 WeakPolarHBondContact O-CG2 3.45Å; R343-V347 PolarHBondContact O-N 2.82Å
344T98.6Very high97.8Very high0 Ų04.1 Ų4.10%02%0.022CC..Hα-helixtrans-63.7-39.8176.9-520000111.8R204 V335 C337 G340 D342 C348R204-T344 HydrophobicContact CB-CG2 3.74Å; V335-T344 HydrophobicContact CB-CG2 4.41Å; V335-T344 HydrophobicContact CG1-CG2 4.07Å; V335-T344 WeakPolarHBondContact O-CG2 3.48Å; C337-T344 PolarHBondContact N-OG1 3.14Å; C337-T344 PolarHBondContact SG-OG1 3.33Å; C337-T344 VanDerWaalsContact SG-OG1 3.35Å; G340-T344 WeakPolarHBondContact CA-OG1 3.47Å; D342-T344 PolarHBondContact O-N 3.04Å; D342-T344 VanDerWaalsContact O-N 3.11Å; T344-C348 VanDerWaalsContact O-CB 3.23Å; T344-C348 WeakPolarHBondContact O-CB 3.41Å; T344-C348 PolarHBondContact O-N 3.4Å; T344-C348 VanDerWaalsContact O-N 3.12Å; T344-C348 PolarHBondContact O-SG 3.09Å
345A98.4Very high97.7Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-67.3-43.1175.200000111.1W341 D342 S349 W373W341-A345 WeakPolarHBondContact O-CB 3.33Å; D342-A345 WeakPolarHBondContact O-CB 3.2Å; D342-A345 PolarHBondContact O-N 3.39Å; A345-S349 VanDerWaalsContact O-CB 3.24Å; A345-S349 WeakPolarHBondContact O-CB 3.44Å; A345-S349 PolarHBondContact O-N 2.81Å; A345-S349 PolarHBondContact O-OG 3.32Å; A345-W373 HydrophobicContact CB-CD2 4.06Å; A345-W373 HydrophobicContact CB-CE3 4.25Å; A345-W373 HydrophobicContact CB-CH2 4.43Å; A345-W373 HydrophobicContact CB-CZ2 4.22Å; A345-W373 HydrophobicContact CB-CZ3 4.44Å
346Q98.5Very high97.6Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-53.9-60.6174.9-67.2174.9-41.700111.5V316 D342 R343 S349 V350 W373 I397 F401V316-Q346 HydrophobicContact CG1-CB 3.85Å; D342-Q346 PolarHBondContact O-N 2.85Å; D342-Q346 VanDerWaalsContact O-N 3.16Å; R343-Q346 WeakPolarHBondContact O-CB 3.29Å; R343-Q346 PolarHBondContact O-N 3.23Å; Q346-S349 PolarHBondContact O-N 3.36Å; Q346-V350 WeakPolarHBondContact O-CG2 3.3Å; Q346-V350 PolarHBondContact O-N 2.95Å; Q346-W373 HydrophobicContact CB-CH2 4.5Å; Q346-W373 HydrophobicContact CG-CH2 3.65Å; Q346-W373 HydrophobicContact CG-CZ2 4.14Å; Q346-I397 HydrophobicContact CG-CG2 3.84Å; Q346-I397 PolarHBondContact NE2-O 3.06Å; Q346-F401 HydrophobicContact CG-CB 4.49Å
347V98.6Very high97.4Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-75.9-31.2-169.6-52.40000113.2T241 I273 V316 T319 I323 V335 R343 S349 A351T241-V347 HydrophobicContact CG2-CG1 4.26Å; T241-V347 HydrophobicContact CG2-CG2 3.73Å; I273-V347 HydrophobicContact CD1-CG1 3.56Å; V316-V347 HydrophobicContact CG1-CG1 4.14Å; T319-V347 HydrophobicContact CG2-CB 3.81Å; T319-V347 HydrophobicContact CG2-CG1 3.6Å; T319-V347 HydrophobicContact CG2-CG2 4.04Å; I323-V347 HydrophobicContact CD1-CB 3.92Å; I323-V347 HydrophobicContact CD1-CG2 3.6Å; V335-V347 HydrophobicContact CG1-CG2 3.48Å; V335-V347 VanDerWaalsContact CG1-CG2 3.48Å; R343-V347 WeakPolarHBondContact O-CG2 3.45Å; R343-V347 PolarHBondContact O-N 2.82Å; V347-S349 VanDerWaalsContact C-N 3.34Å; V347-A351 VanDerWaalsContact O-CB 3.23Å; V347-A351 WeakPolarHBondContact O-CB 3.26Å; V347-A351 PolarHBondContact O-N 3.48Å
348C98.6Very high97.5Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-63-42.2169.8-71.10000110.9T344 A351 C352 D372T344-C348 VanDerWaalsContact O-CB 3.23Å; T344-C348 WeakPolarHBondContact O-CB 3.41Å; T344-C348 PolarHBondContact O-N 3.4Å; T344-C348 VanDerWaalsContact O-N 3.12Å; T344-C348 PolarHBondContact O-SG 3.09Å; C348-A351 PolarHBondContact O-N 3.24Å; C348-C352 WeakPolarHBondContact O-CB 3.23Å; C348-C352 PolarHBondContact O-N 2.83Å; C348-C352 PolarHBondContact O-SG 3.22Å; C348-D372 WeakPolarHBondContact CB-OD2 3.33Å
349S98.7Very high97.6Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-68.1-44.6179-56.20000112.3A345 Q346 V347 A351 C352 V353 D372 W373A345-S349 VanDerWaalsContact O-CB 3.24Å; A345-S349 WeakPolarHBondContact O-CB 3.44Å; A345-S349 PolarHBondContact O-N 2.81Å; A345-S349 PolarHBondContact O-OG 3.32Å; Q346-S349 PolarHBondContact O-N 3.36Å; V347-S349 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 2.87Å; S349-C352 WeakPolarHBondContact O-CB 3.2Å; S349-C352 PolarHBondContact O-N 3.43Å; S349-V353 WeakPolarHBondContact O-CG2 3.49Å; S349-V353 PolarHBondContact O-N 2.98Å; S349-D372 WeakPolarHBondContact OG-CB 3.49Å; S349-W373 PolarHBondContact OG-NE1 3.28Å
350V98.6Very high97.7Very high1 Ų17.7 Ų7.71%0.0064%0.037CC..Hα-helixtrans-61.3-44.9175.2173.90000110.6V316 L317 Q346 C352 V353 L354 F401 C404V316-V350 HydrophobicContact CG1-CG2 4.32Å; L317-V350 HydrophobicContact CD2-CG1 4.06Å; Q346-V350 WeakPolarHBondContact O-CG2 3.3Å; Q346-V350 PolarHBondContact O-N 2.95Å; V350-C352 VanDerWaalsContact C-N 3.32Å; V350-C352 PolarHBondContact O-N 3.09Å; V350-V353 PolarHBondContact O-N 3.33Å; V350-L354 HydrophobicContact CG1-CD1 4.02Å; V350-L354 HydrophobicContact CG1-CG 4.39Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 3.26Å; V350-F401 HydrophobicContact CG2-CD2 4.07Å; V350-F401 HydrophobicContact CG2-CE2 4.45Å; V350-C404 HydrophobicContact CG2-CB 3.77Å
351A98.5Very high97.7Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-60.3-40.8175.600000112.1I202 I323 A324 V347 C348 S349 L354 L355I202-A351 HydrophobicContact CD1-CB 3.87Å; I323-A351 HydrophobicContact CB-CB 3.92Å; I323-A351 HydrophobicContact CG2-CB 3.67Å; A324-A351 HydrophobicContact CB-CB 4.47Å; V347-A351 VanDerWaalsContact O-CB 3.23Å; V347-A351 WeakPolarHBondContact O-CB 3.26Å; V347-A351 PolarHBondContact O-N 3.48Å; C348-A351 PolarHBondContact O-N 3.24Å; S349-A351 PolarHBondContact O-N 2.87Å; A351-L354 PolarHBondContact O-N 3.41Å; A351-L355 VanDerWaalsContact O-CB 3.31Å; A351-L355 WeakPolarHBondContact O-CB 3.44Å; A351-L355 WeakPolarHBondContact O-CD1 3.42Å; A351-L355 VanDerWaalsContact O-CG 3.26Å; A351-L355 WeakPolarHBondContact O-CG 3.48Å; A351-L355 PolarHBondContact O-N 2.71Å
352C98.2Very high97.7Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-59.3-48.2174-72.90000112.2C348 S349 V350 L354 L355 D356 Y359 L368C348-C352 WeakPolarHBondContact O-CB 3.23Å; C348-C352 PolarHBondContact O-N 2.83Å; C348-C352 PolarHBondContact O-SG 3.22Å; S349-C352 WeakPolarHBondContact O-CB 3.2Å; S349-C352 PolarHBondContact O-N 3.43Å; V350-C352 VanDerWaalsContact C-N 3.32Å; V350-C352 PolarHBondContact O-N 3.09Å; C352-L354 VanDerWaalsContact C-N 3.31Å; C352-L354 PolarHBondContact O-N 3.2Å; C352-L355 PolarHBondContact O-N 3.01Å; C352-D356 PolarHBondContact O-N 2.87Å; C352-Y359 HydrophobicContact CB-CD2 3.64Å; C352-Y359 HydrophobicContact CB-CE2 3.6Å; C352-Y359 HydrophobicContact CB-CG 4.47Å; C352-Y359 WeakPolarHBondContact O-CD2 3.49Å; C352-L368 HydrophobicContact CB-CD1 3.79Å; C352-L368 HydrophobicContact CB-CD2 4.36Å
353V98.3Very high97.6Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-60.6-40176.9171.90000111.7S349 V350 R360 L368 V405 L408 F416S349-V353 WeakPolarHBondContact O-CG2 3.49Å; S349-V353 PolarHBondContact O-N 2.98Å; V350-V353 PolarHBondContact O-N 3.33Å; V353-R360 HydrophobicContact CG1-CG 4.44Å; V353-R360 PolarHBondContact O-NE 2.99Å; V353-R360 PolarHBondContact O-NH2 3.22Å; V353-R360 VanDerWaalsContact O-NH2 3.16Å; V353-L368 HydrophobicContact CG2-CD2 3.57Å; V353-V405 HydrophobicContact CG2-CG2 4.49Å; V353-L408 HydrophobicContact CG1-CD1 4.01Å; V353-F416 HydrophobicContact CG1-CE1 3.62Å; V353-F416 HydrophobicContact CG1-CZ 3.89Å
354L97.8Very high97.5Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-67.7-38.4176.8-69.4174.1000112.7V321 A324 V350 A351 C352 R360 L408 L486 L487 P489V321-L354 HydrophobicContact CB-CD1 4.46Å; V321-L354 HydrophobicContact CG2-CD1 3.8Å; A324-L354 HydrophobicContact CB-CB 3.76Å; A324-L354 HydrophobicContact CB-CD1 4.03Å; V350-L354 HydrophobicContact CG1-CD1 4.02Å; V350-L354 HydrophobicContact CG1-CG 4.39Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 3.26Å; A351-L354 PolarHBondContact O-N 3.41Å; C352-L354 VanDerWaalsContact C-N 3.31Å; C352-L354 PolarHBondContact O-N 3.2Å; L354-R360 PolarHBondContact O-NH2 3.1Å; L354-L408 HydrophobicContact CD2-CD1 3.81Å; L354-L408 HydrophobicContact CD2-CD2 3.73Å; L354-L408 HydrophobicContact CD2-CG 4.45Å; L354-L408 HydrophobicContact CG-CD1 4.27Å; L354-L486 WeakPolarHBondContact O-CA 3.4Å; L354-L487 HydrophobicContact CD2-CB 3.72Å; L354-L487 PolarHBondContact O-N 2.84Å; L354-P489 HydrophobicContact CD2-CG 3.9Å
355L96.9Very high97.5Very high19 Ų1910.8 Ų10.810%0.0995%0.053CC..Hα-helixtrans-79.4-49.4-176.2-77.9162.8000113.9Y193 I202 A324 V327 A328 A351 C352 L486Y193-L355 HydrophobicContact CD1-CD1 4.07Å; Y193-L355 HydrophobicContact CE1-CB 4.33Å; Y193-L355 HydrophobicContact CE1-CD1 3.84Å; I202-L355 HydrophobicContact CD1-CD1 3.76Å; A324-L355 HydrophobicContact CB-CD1 4.44Å; A324-L355 HydrophobicContact CB-CD2 4.36Å; A324-L355 HydrophobicContact CB-CG 3.94Å; A324-L355 WeakPolarHBondContact O-CD2 3.16Å; V327-L355 HydrophobicContact CB-CD1 3.93Å; V327-L355 HydrophobicContact CB-CD2 4.08Å; V327-L355 HydrophobicContact CG1-CD1 3.73Å; V327-L355 HydrophobicContact CG1-CD2 3.89Å; V327-L355 HydrophobicContact CG1-CG 4.5Å; V327-L355 HydrophobicContact CG2-CD1 4.38Å; A328-L355 HydrophobicContact CB-CD2 4.38Å; A351-L355 VanDerWaalsContact O-CB 3.31Å; A351-L355 WeakPolarHBondContact O-CB 3.44Å; A351-L355 WeakPolarHBondContact O-CD1 3.42Å; A351-L355 VanDerWaalsContact O-CG 3.26Å; A351-L355 WeakPolarHBondContact O-CG 3.48Å; A351-L355 PolarHBondContact O-N 2.71Å; C352-L355 PolarHBondContact O-N 3.01Å; L355-L486 HydrophobicContact CD2-CD1 4.21Å
356D96.2Very high97.5Very high17 Ų1711 Ų119%0.0915%0.054CC..  trans-117.1113.4-161.4-176.2-9.9000111.3R138 Y193 C352 Y358 Y359R138-D356 IonicContact CZ-OD2 2.78Å; R138-D356 IonicContact NH1-OD1 3.52Å; R138-D356 PolarHBondContact NH1-OD1 2.6Å; R138-D356 IonicContact NH1-OD2 3.59Å; R138-D356 PolarHBondContact NH1-OD2 3.42Å; R138-D356 IonicContact NH2-OD2 3.54Å; R138-D356 PolarHBondContact NH2-OD2 2.67Å; Y193-D356 HydrophobicContact CE2-CB 3.91Å; C352-D356 PolarHBondContact O-N 2.87Å; D356-Y358 PolarHBondContact O-N 3.15Å; D356-Y358 WeakPolarHBondContact OD1-CB 2.79Å; D356-Y358 PolarHBondContact OD1-N 3.08Å; D356-Y359 HydrophobicContact CB-CD2 3.74Å; D356-Y359 HydrophobicContact CB-CE2 3.93Å; D356-Y359 PolarHBondContact O-N 2.94Å; D356-Y359 VanDerWaalsContact O-N 3.16Å
357P95.6Very high97.5Very high30 Ų3011 Ų1120%0.1955%0.054CC..G310 helixtrans-51.8-26.1175.3-3036.7000114.8Y359 R360 S483P357-Y359 VanDerWaalsContact C-N 3.31Å; P357-Y359 PolarHBondContact O-N 2.85Å; P357-R360 WeakPolarHBondContact O-CB 3.45Å; P357-R360 PolarHBondContact O-N 2.79Å; P357-R360 VanDerWaalsContact O-N 3.09Å; P357-S483 WeakPolarHBondContact CB-O 3.5Å; P357-S483 WeakPolarHBondContact CG-O 3.31Å
358Y96.1Very high97.5Very high58 Ų5811 Ų1123%0.2275%0.054CC..G310 helixtrans-56.2-44.8177.7176.4-112.7000112D135 R138 D356 R360 T361 G364 V367D135-Y358 WeakPolarHBondContact OD1-CE1 3.25Å; R138-Y358 VanDerWaalsContact NE-CD1 3.31Å; D356-Y358 PolarHBondContact O-N 3.15Å; D356-Y358 WeakPolarHBondContact OD1-CB 2.79Å; D356-Y358 PolarHBondContact OD1-N 3.08Å; Y358-R360 PolarHBondContact O-N 3.4Å; Y358-R360 VanDerWaalsContact O-N 3.15Å; Y358-T361 WeakPolarHBondContact O-CB 3.33Å; Y358-T361 WeakPolarHBondContact O-CG2 3.49Å; Y358-T361 PolarHBondContact O-N 3.19Å; Y358-T361 PolarHBondContact O-OG1 3.11Å; Y358-G364 WeakPolarHBondContact O-CA 3.41Å; Y358-V367 HydrophobicContact CE1-CB 4.35Å; Y358-V367 HydrophobicContact CE1-CG1 4.19Å
359Y97.7Very high97.4Very high0 Ų011.2 Ų11.20%06%0.055CC..G310 helixtrans-73.5-4.9-178.2-55.5-62000114.1D135 M139 Y193 C352 D356 P357 G364 L368 K371 Y418D135-Y359 PolarHBondContact OD2-OH 2.98Å; M139-Y359 WeakPolarHBondContact CE-OH 3.29Å; Y193-Y359 HydrophobicContact CD2-CE2 4.06Å; Y193-Y359 HydrophobicContact CE2-CE2 4.19Å; C352-Y359 HydrophobicContact CB-CD2 3.64Å; C352-Y359 HydrophobicContact CB-CE2 3.6Å; C352-Y359 HydrophobicContact CB-CG 4.47Å; C352-Y359 WeakPolarHBondContact O-CD2 3.49Å; D356-Y359 HydrophobicContact CB-CD2 3.74Å; D356-Y359 HydrophobicContact CB-CE2 3.93Å; D356-Y359 PolarHBondContact O-N 2.94Å; D356-Y359 VanDerWaalsContact O-N 3.16Å; P357-Y359 VanDerWaalsContact C-N 3.31Å; P357-Y359 PolarHBondContact O-N 2.85Å; Y359-G364 WeakPolarHBondContact CD1-O 3.25Å; Y359-L368 HydrophobicContact CD1-CB 3.71Å; Y359-L368 HydrophobicContact CD1-CD1 4.16Å; Y359-L368 HydrophobicContact CD1-CD2 4.46Å; Y359-L368 HydrophobicContact CD1-CG 4.33Å; Y359-L368 HydrophobicContact CE1-CB 4.14Å; Y359-L368 HydrophobicContact CE1-CD1 4.06Å; Y359-L368 HydrophobicContact CG-CB 4.33Å; Y359-L368 HydrophobicContact CG-CD1 4.42Å; Y359-L368 HydrophobicContact CG-CD2 4.28Å; Y359-K371 VanDerWaalsContact OH-CE 3.25Å; Y359-K371 WeakPolarHBondContact OH-CE 3.34Å; Y359-K371 PolarHBondContact OH-NZ 3.05Å; Y359-Y418 PolarHBondContact O-OH 2.87Å
360R97.6Very high97.4Very high1 Ų112.5 Ų12.50%0.0046%0.061CC..G310 helixtrans-89.5-6.1170.7-48.8177.4-160.5142.313112.3V353 L354 P357 Y358 A415 F416 E417 Y418 S483 G485V353-R360 HydrophobicContact CG1-CG 4.44Å; V353-R360 PolarHBondContact O-NE 2.99Å; V353-R360 PolarHBondContact O-NH2 3.22Å; V353-R360 VanDerWaalsContact O-NH2 3.16Å; L354-R360 PolarHBondContact O-NH2 3.1Å; P357-R360 WeakPolarHBondContact O-CB 3.45Å; P357-R360 PolarHBondContact O-N 2.79Å; P357-R360 VanDerWaalsContact O-N 3.09Å; Y358-R360 PolarHBondContact O-N 3.4Å; Y358-R360 VanDerWaalsContact O-N 3.15Å; R360-A415 WeakPolarHBondContact CB-O 3.3Å; R360-F416 HydrophobicContact CB-CD1 3.87Å; R360-F416 HydrophobicContact CB-CE1 4.23Å; R360-F416 HydrophobicContact CB-CG 4.45Å; R360-F416 HydrophobicContact CG-CD1 4.1Å; R360-F416 HydrophobicContact CG-CE1 3.95Å; R360-E417 PolarHBondContact O-N 3.11Å; R360-Y418 WeakPolarHBondContact O-CD1 3.42Å; R360-Y418 VanDerWaalsContact O-CE1 3.31Å; R360-Y418 WeakPolarHBondContact O-CE1 3.42Å; R360-S483 PolarHBondContact NH1-O 3.15Å; R360-G485 PolarHBondContact NH1-O 3.11Å; R360-G485 PolarHBondContact NH2-O 3.45Å
361T96.3Very high97.3Very high27 Ų2712.5 Ų12.517%0.1666%0.061CC..SBendtrans-79.9154.3168.270.10000110.8Y358 K363 G364 L365 E417Y358-T361 WeakPolarHBondContact O-CB 3.33Å; Y358-T361 WeakPolarHBondContact O-CG2 3.49Å; Y358-T361 PolarHBondContact O-N 3.19Å; Y358-T361 PolarHBondContact O-OG1 3.11Å; T361-K363 VanDerWaalsContact C-N 3.32Å; T361-K363 PolarHBondContact O-N 3.16Å; T361-G364 PolarHBondContact O-N 3.11Å; T361-G364 VanDerWaalsContact O-N 3.15Å; T361-G364 WeakPolarHBondContact OG1-CA 3.42Å; T361-G364 PolarHBondContact OG1-N 3.06Å; T361-L365 PolarHBondContact O-N 3.26Å; T361-E417 WeakPolarHBondContact CA-OE2 3.44Å; T361-E417 WeakPolarHBondContact CB-OE2 3.44Å
362L95.8Very high97.3Very high2 Ų212.5 Ų12.51%0.016%0.061CC..Hα-helixtrans-53.7-48.9176175.864.1000110.8M366 E417 L422 W465 R468 F471 I472L362-M366 HydrophobicContact CD1-CE 3.69Å; L362-M366 HydrophobicContact CG-CE 3.83Å; L362-M366 WeakPolarHBondContact O-CG 3.35Å; L362-E417 PolarHBondContact N-OE2 2.85Å; L362-L422 HydrophobicContact CD1-CD1 3.63Å; L362-L422 HydrophobicContact CD1-CD2 3.47Å; L362-L422 VanDerWaalsContact CD1-CD2 3.47Å; L362-L422 HydrophobicContact CD1-CG 4.19Å; L362-W465 HydrophobicContact CD2-CE3 3.98Å; L362-W465 HydrophobicContact CD2-CZ3 4.06Å; L362-W465 HydrophobicContact CG-CE3 4.37Å; L362-W465 HydrophobicContact CG-CZ3 4.34Å; L362-R468 HydrophobicContact CD2-CB 3.47Å; L362-R468 VanDerWaalsContact CD2-CB 3.47Å; L362-F471 HydrophobicContact CD1-CB 4.42Å; L362-I472 HydrophobicContact CD2-CD1 4.49Å
363K96.2Very high97.3Very high69 Ų6912.5 Ų12.530%0.36%0.061SC..Hα-helixtrans-68.9-37.6178-172.2165.5-173.3164.60112.1F129 T361 M366 V367 W465F129-K363 HydrophobicContact CE1-CD 4.45Å; F129-K363 HydrophobicContact CE1-CG 4.47Å; F129-K363 HydrophobicContact CZ-CD 4.09Å; F129-K363 HydrophobicContact CZ-CG 4.48Å; F129-K363 PolarHBondContact O-NZ 3.29Å; F129-K363 VanDerWaalsContact O-NZ 3.12Å; T361-K363 VanDerWaalsContact C-N 3.32Å; T361-K363 PolarHBondContact O-N 3.16Å; K363-M366 WeakPolarHBondContact O-CB 3.35Å; K363-M366 PolarHBondContact O-N 2.84Å; K363-V367 HydrophobicContact CG-CG2 4.36Å; K363-V367 VanDerWaalsContact O-CG2 3.23Å; K363-V367 WeakPolarHBondContact O-CG2 3.27Å; K363-V367 PolarHBondContact O-N 3.37Å; K363-W465 HydrophobicContact CB-CH2 4.46Å; K363-W465 HydrophobicContact CB-CZ3 3.93Å
364G97.3Very high97.2Very high0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-64.1-39.4179.300000113.3Y358 Y359 T361 M366 V367 L368Y358-G364 WeakPolarHBondContact O-CA 3.41Å; Y359-G364 WeakPolarHBondContact CD1-O 3.25Å; T361-G364 PolarHBondContact O-N 3.11Å; T361-G364 VanDerWaalsContact O-N 3.15Å; T361-G364 WeakPolarHBondContact OG1-CA 3.42Å; T361-G364 PolarHBondContact OG1-N 3.06Å; G364-M366 VanDerWaalsContact C-N 3.34Å; G364-M366 PolarHBondContact O-N 3.45Å; G364-V367 PolarHBondContact O-N 2.94Å; G364-L368 WeakPolarHBondContact O-CB 3.33Å; G364-L368 PolarHBondContact O-N 3.5Å
365L98.1Very high97.1Very high3 Ų313.3 Ų13.32%0.0167%0.066CC..Hα-helixtrans-62.4-41.4174.9-177.166.4000111.8T361 V367 L368 I369 F401 Y418 L422 L423T361-L365 PolarHBondContact O-N 3.26Å; L365-V367 VanDerWaalsContact C-N 3.35Å; L365-V367 PolarHBondContact O-N 3.11Å; L365-L368 PolarHBondContact O-N 3.41Å; L365-I369 HydrophobicContact CD1-CD1 4.27Å; L365-I369 HydrophobicContact CG-CD1 4.07Å; L365-I369 WeakPolarHBondContact O-CG1 3.39Å; L365-I369 PolarHBondContact O-N 3.45Å; L365-F401 HydrophobicContact CD1-CZ 4.28Å; L365-Y418 HydrophobicContact CB-CD1 4.38Å; L365-Y418 HydrophobicContact CB-CE1 3.72Å; L365-Y418 HydrophobicContact CD2-CD1 4.43Å; L365-Y418 HydrophobicContact CD2-CD2 4.4Å; L365-Y418 HydrophobicContact CD2-CE1 3.99Å; L365-Y418 HydrophobicContact CD2-CE2 3.97Å; L365-Y418 HydrophobicContact CG-CE1 4.35Å; L365-L422 HydrophobicContact CD2-CD2 3.82Å; L365-L423 HydrophobicContact CD2-CD2 3.77Å
366M97.8Very high97.1Very high3 Ų312.6 Ų12.62%0.0156%0.062CC..Hα-helixtrans-60.2-45.9175.8-56.9175.2-179.600111.1F129 V130 L362 K363 G364 I369 E370 W461 L464F129-M366 HydrophobicContact CE1-SD 3.98Å; V130-M366 HydrophobicContact CG2-CB 4.33Å; L362-M366 HydrophobicContact CD1-CE 3.69Å; L362-M366 HydrophobicContact CG-CE 3.83Å; L362-M366 WeakPolarHBondContact O-CG 3.35Å; K363-M366 WeakPolarHBondContact O-CB 3.35Å; K363-M366 PolarHBondContact O-N 2.84Å; G364-M366 VanDerWaalsContact C-N 3.34Å; G364-M366 PolarHBondContact O-N 3.45Å; M366-I369 PolarHBondContact O-N 2.79Å; M366-E370 PolarHBondContact O-N 3.25Å; M366-W461 HydrophobicContact CB-CD2 3.82Å; M366-W461 HydrophobicContact CB-CE3 3.79Å; M366-W461 HydrophobicContact CB-CG 4.24Å; M366-W461 HydrophobicContact CB-CZ3 4.18Å; M366-W461 HydrophobicContact CE-CE3 4.29Å; M366-W461 HydrophobicContact CG-CD2 3.88Å; M366-W461 HydrophobicContact CG-CE3 3.38Å; M366-W461 HydrophobicContact CG-CG 4.43Å; M366-W461 HydrophobicContact CG-CZ3 3.79Å; M366-W461 HydrophobicContact SD-CB 3.89Å; M366-W461 HydrophobicContact SD-CD2 4.24Å; M366-W461 HydrophobicContact SD-CE3 3.88Å; M366-W461 HydrophobicContact SD-CG 4.28Å; M366-L464 HydrophobicContact CE-CB 3.64Å; M366-L464 HydrophobicContact CE-CD1 4.33Å
367V98Very high97.1Very high1 Ų111.8 Ų11.81%0.0066%0.058CC..Hα-helixtrans-63-40.6176.9173.10000111.3V130 L132 D135 Y358 K363 G364 L365 E370 K371V130-V367 HydrophobicContact CG1-CB 4.39Å; V130-V367 HydrophobicContact CG1-CG2 3.84Å; L132-V367 HydrophobicContact CD2-CG1 4.42Å; D135-V367 HydrophobicContact CB-CG1 3.69Å; Y358-V367 HydrophobicContact CE1-CB 4.35Å; Y358-V367 HydrophobicContact CE1-CG1 4.19Å; K363-V367 HydrophobicContact CG-CG2 4.36Å; K363-V367 VanDerWaalsContact O-CG2 3.23Å; K363-V367 WeakPolarHBondContact O-CG2 3.27Å; K363-V367 PolarHBondContact O-N 3.37Å; G364-V367 PolarHBondContact O-N 2.94Å; L365-V367 VanDerWaalsContact C-N 3.35Å; L365-V367 PolarHBondContact O-N 3.11Å; V367-E370 PolarHBondContact O-N 3Å; V367-K371 WeakPolarHBondContact O-CB 3.47Å; V367-K371 PolarHBondContact O-N 3.03Å
368L98.4Very high97.3Very high0 Ų010.4 Ų10.40%05%0.049CC..Hα-helixtrans-63.4-43.7177.4-176.360.9000112C352 V353 Y359 G364 L365 K371 D372 F401C352-L368 HydrophobicContact CB-CD1 3.79Å; C352-L368 HydrophobicContact CB-CD2 4.36Å; V353-L368 HydrophobicContact CG2-CD2 3.57Å; Y359-L368 HydrophobicContact CD1-CB 3.71Å; Y359-L368 HydrophobicContact CD1-CD1 4.16Å; Y359-L368 HydrophobicContact CD1-CD2 4.46Å; Y359-L368 HydrophobicContact CD1-CG 4.33Å; Y359-L368 HydrophobicContact CE1-CB 4.14Å; Y359-L368 HydrophobicContact CE1-CD1 4.06Å; Y359-L368 HydrophobicContact CG-CB 4.33Å; Y359-L368 HydrophobicContact CG-CD1 4.42Å; Y359-L368 HydrophobicContact CG-CD2 4.28Å; G364-L368 WeakPolarHBondContact O-CB 3.33Å; G364-L368 PolarHBondContact O-N 3.5Å; L365-L368 PolarHBondContact O-N 3.41Å; L368-K371 PolarHBondContact O-N 3.48Å; L368-D372 HydrophobicContact CD1-CB 4.33Å; L368-D372 PolarHBondContact O-N 2.92Å; L368-F401 HydrophobicContact CD2-CZ 4.29Å
369I98.4Very high97.3Very high5 Ų59 Ų93%0.0264%0.044CC..Hα-helixtrans-66.4-45.9177.6-67.2169.2000110.4L365 M366 K371 W373 V374 F401 V426 F438 W461L365-I369 HydrophobicContact CD1-CD1 4.27Å; L365-I369 HydrophobicContact CG-CD1 4.07Å; L365-I369 WeakPolarHBondContact O-CG1 3.39Å; L365-I369 PolarHBondContact O-N 3.45Å; M366-I369 PolarHBondContact O-N 2.79Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 2.89Å; I369-W373 VanDerWaalsContact O-CB 3.32Å; I369-W373 WeakPolarHBondContact O-CB 3.37Å; I369-W373 PolarHBondContact O-N 3.47Å; I369-V374 PolarHBondContact O-N 2.61Å; I369-F401 HydrophobicContact CD1-CE1 4.48Å; I369-F401 HydrophobicContact CG1-CE1 4.14Å; I369-V426 HydrophobicContact CD1-CG1 4.21Å; I369-F438 HydrophobicContact CG2-CE1 3.76Å; I369-F438 HydrophobicContact CG2-CZ 4.23Å; I369-W461 HydrophobicContact CB-CH2 4.29Å; I369-W461 HydrophobicContact CB-CZ2 4.34Å; I369-W461 HydrophobicContact CD1-CH2 4.17Å; I369-W461 HydrophobicContact CG2-CH2 4.13Å; I369-W461 HydrophobicContact CG2-CZ2 4.07Å
370E97.3Very high97.3Very high26 Ų269 Ų912%0.1214%0.044CC..Iπ-helixtrans-62.4-37.4176.3-77.1-68.6172.300112.4V130 L132 M366 V367 V374 S375 N437 W461V130-E370 HydrophobicContact CB-CG 4.46Å; V130-E370 HydrophobicContact CG1-CB 3.94Å; V130-E370 HydrophobicContact CG1-CG 4.06Å; L132-E370 HydrophobicContact CD2-CB 4.07Å; M366-E370 PolarHBondContact O-N 3.25Å; V367-E370 PolarHBondContact O-N 3Å; E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact OE2-CB 3.37Å; E370-V374 WeakPolarHBondContact OE2-CG1 2.89Å; E370-S375 VanDerWaalsContact O-CB 3.31Å; E370-S375 WeakPolarHBondContact O-CB 2.97Å; E370-S375 PolarHBondContact O-N 3.15Å; E370-N437 PolarHBondContact OE1-ND2 3.09Å; E370-W461 HydrophobicContact CG-CZ2 4.18Å; E370-W461 PolarHBondContact OE1-NE1 2.86Å
371K97Very high97.2Very high1 Ų19.3 Ų9.30%0.0045%0.046CC..Iπ-helixtrans-70.9-72.7175.8-169.8166.755.970.50111.4L132 D135 F136 S192 Y359 V367 L368 I369 W373 S375 F376L132-K371 HydrophobicContact CD2-CB 3.99Å; D135-K371 WeakPolarHBondContact OD2-CE 3.32Å; F136-K371 HydrophobicContact CE1-CD 4.48Å; F136-K371 HydrophobicContact CE2-CD 4.18Å; F136-K371 HydrophobicContact CZ-CD 3.93Å; S192-K371 PolarHBondContact O-NZ 3.1Å; Y359-K371 VanDerWaalsContact OH-CE 3.25Å; Y359-K371 WeakPolarHBondContact OH-CE 3.34Å; Y359-K371 PolarHBondContact OH-NZ 3.05Å; V367-K371 WeakPolarHBondContact O-CB 3.47Å; V367-K371 PolarHBondContact O-N 3.03Å; L368-K371 PolarHBondContact O-N 3.48Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 2.89Å; K371-W373 VanDerWaalsContact C-N 3.35Å; K371-W373 PolarHBondContact O-N 3.27Å; K371-S375 PolarHBondContact O-N 3.09Å; K371-S375 PolarHBondContact O-OG 2.68Å; K371-F376 WeakPolarHBondContact O-CD2 3.41Å; K371-F376 PolarHBondContact O-N 2.86Å
372D97.8Very high97.2Very high0 Ų011.4 Ų11.40%05%0.054CC..Iπ-helixtrans-78.1-16.9-162.3-85.848.7000114.5S192 R204 C348 S349 L368S192-D372 PolarHBondContact OG-OD1 3Å; S192-D372 PolarHBondContact OG-OD2 2.98Å; R204-D372 VanDerWaalsContact NH1-CG 3.33Å; R204-D372 PolarHBondContact NH1-O 3.18Å; R204-D372 IonicContact NH1-OD2 3.43Å; R204-D372 PolarHBondContact NH1-OD2 3.5Å; R204-D372 PolarHBondContact NH2-O 2.7Å; C348-D372 WeakPolarHBondContact CB-OD2 3.33Å; S349-D372 WeakPolarHBondContact OG-CB 3.49Å; L368-D372 HydrophobicContact CD1-CB 4.33Å; L368-D372 PolarHBondContact O-N 2.92Å
373W98.3Very high97.3Very high1 Ų111.7 Ų11.70%0.0046%0.055CC..Iπ-helixtrans-112.6-60-179.5-59.671.6000111.8A345 Q346 S349 I369 K371 G377 H378 F380 I397 V398 F401A345-W373 HydrophobicContact CB-CD2 4.06Å; A345-W373 HydrophobicContact CB-CE3 4.25Å; A345-W373 HydrophobicContact CB-CH2 4.43Å; A345-W373 HydrophobicContact CB-CZ2 4.22Å; A345-W373 HydrophobicContact CB-CZ3 4.44Å; Q346-W373 HydrophobicContact CB-CH2 4.5Å; Q346-W373 HydrophobicContact CG-CH2 3.65Å; Q346-W373 HydrophobicContact CG-CZ2 4.14Å; S349-W373 PolarHBondContact OG-NE1 3.28Å; I369-W373 VanDerWaalsContact O-CB 3.32Å; I369-W373 WeakPolarHBondContact O-CB 3.37Å; I369-W373 PolarHBondContact O-N 3.47Å; K371-W373 VanDerWaalsContact C-N 3.35Å; K371-W373 PolarHBondContact O-N 3.27Å; W373-G377 PolarHBondContact O-N 2.77Å; W373-H378 HydrophobicContact CB-CB 4.16Å; W373-H378 HydrophobicContact CE3-CB 4.01Å; W373-H378 AromaticContact CE3-CD2 3.73Å; W373-H378 AromaticContact CE3-CG 3.57Å; W373-H378 AromaticContact CE3-ND1 3.9Å; W373-H378 AromaticContact CZ3-CE1 3.93Å; W373-H378 AromaticContact CZ3-ND1 3.93Å; W373-H378 VanDerWaalsContact O-CB 3.3Å; W373-H378 WeakPolarHBondContact O-CB 3.44Å; W373-H378 PolarHBondContact O-N 2.91Å; W373-F380 HydrophobicContact CB-CE2 3.85Å; W373-F380 HydrophobicContact CB-CZ 3.81Å; W373-F380 HydrophobicContact CE3-CZ 4.32Å; W373-I397 HydrophobicContact CH2-CG2 4.18Å; W373-I397 WeakPolarHBondContact CH2-O 2.97Å; W373-I397 HydrophobicContact CZ3-CG2 4.03Å; W373-V398 HydrophobicContact CE3-CB 4.38Å; W373-V398 HydrophobicContact CE3-CG2 4.33Å; W373-V398 HydrophobicContact CH2-CB 4.47Å; W373-V398 HydrophobicContact CZ3-CB 3.92Å; W373-V398 HydrophobicContact CZ3-CG2 4.2Å; W373-F401 AromaticContact CE2-CD1 3.93Å; W373-F401 HydrophobicContact CH2-CB 3.58Å; W373-F401 HydrophobicContact CH2-CD1 4.43Å; W373-F401 HydrophobicContact CH2-CG 4.11Å; W373-F401 HydrophobicContact CZ2-CB 3.36Å; W373-F401 AromaticContact CZ2-CD1 3.69Å; W373-F401 HydrophobicContact CZ2-CD1 3.69Å; W373-F401 HydrophobicContact CZ2-CD2 4.02Å; W373-F401 AromaticContact CZ2-CG 3.38Å; W373-F401 HydrophobicContact CZ2-CG 3.38Å
374V96.4Very high97.2Very high10 Ų108.5 Ų8.56%0.0614%0.041CC..Iπ-helixtrans-68.4-56.9-175.9164.80000111.4I369 E370 G377 F380 N437 F438I369-V374 PolarHBondContact O-N 2.61Å; E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact OE2-CB 3.37Å; E370-V374 WeakPolarHBondContact OE2-CG1 2.89Å; V374-G377 PolarHBondContact O-N 2.96Å; V374-F380 HydrophobicContact CG2-CE2 3.94Å; V374-N437 WeakPolarHBondContact CG2-O 3.27Å; V374-F438 HydrophobicContact CG2-CD1 4.37Å; V374-F438 HydrophobicContact CG2-CE1 4.38Å
375S95.3Very high97.1Very high6 Ų610.9 Ų10.94%0.0425%0.054CC..Iπ-helixtrans-69.1-40.8-173.3870000112.1P162 E370 K371 G377P162-S375 VanDerWaalsContact CD-O 3.27Å; P162-S375 WeakPolarHBondContact CD-O 3.3Å; E370-S375 VanDerWaalsContact O-CB 3.31Å; E370-S375 WeakPolarHBondContact O-CB 2.97Å; E370-S375 PolarHBondContact O-N 3.15Å; K371-S375 PolarHBondContact O-N 3.09Å; K371-S375 PolarHBondContact O-OG 2.68Å; S375-G377 PolarHBondContact O-N 2.92Å
376F97.4Very high96.9Very high4 Ų410.9 Ų10.92%0.0185%0.054CC..THydrogen-bonded Turntrans-77.25.6176.2-84.7-72.2000114.9T160 Y161 P162 L165 R187 A190 R204 K371T160-F376 CarbonylContact O-C 3.49Å; Y161-F376 AromaticContact CD1-CD1 3.8Å; Y161-F376 HydrophobicContact CD1-CD1 3.8Å; Y161-F376 HydrophobicContact CD1-CE1 4.3Å; Y161-F376 AromaticContact CE1-CD1 3.66Å; Y161-F376 HydrophobicContact CE1-CD1 3.66Å; Y161-F376 HydrophobicContact CE1-CE1 4.05Å; P162-F376 HydrophobicContact CG-CD1 4.47Å; P162-F376 HydrophobicContact CG-CE1 4.37Å; L165-F376 HydrophobicContact CD2-CE1 3.88Å; L165-F376 HydrophobicContact CD2-CZ 4.26Å; R187-F376 PolarHBondContact NH1-O 2.85Å; R187-F376 VanDerWaalsContact NH1-O 3.14Å; R187-F376 PolarHBondContact NH2-O 3.49Å; A190-F376 HydrophobicContact CB-CE1 4.4Å; R204-F376 HydrophobicContact CG-CD1 4.38Å; R204-F376 HydrophobicContact CG-CE1 4.1Å; R204-F376 HydrophobicContact CG-CZ 4.38Å; K371-F376 WeakPolarHBondContact O-CD2 3.41Å; K371-F376 PolarHBondContact O-N 2.86Å
377G97.1Very high96.7Very high0 Ų012 Ų120%06%0.06CC..THydrogen-bonded Turntrans75.146.8166.300000115.4T160 W341 W373 V374 S375 N441T160-G377 WeakPolarHBondContact O-CA 3.23Å; W341-G377 WeakPolarHBondContact CB-O 3.46Å; W373-G377 PolarHBondContact O-N 2.77Å; V374-G377 PolarHBondContact O-N 2.96Å; S375-G377 PolarHBondContact O-N 2.92Å; G377-N441 CarbonylContact C-O 3.52Å; G377-N441 WeakPolarHBondContact CA-O 3.43Å
378H98.3Very high96.2Very high1 Ų114.6 Ų14.61%0.0058%0.082CC..  trans-65.3132.8159.3-174.171.2000109.9W341 D342 W373 F380 N441W341-H378 PolarHBondContact O-ND1 3.26Å; D342-H378 IonicContact OD1-CE1 3.18Å; D342-H378 PolarHBondContact OD1-CE1 2.88Å; D342-H378 VanDerWaalsContact OD1-CE1 3.28Å; D342-H378 IonicContact OD1-ND1 2.8Å; W373-H378 HydrophobicContact CB-CB 4.16Å; W373-H378 HydrophobicContact CE3-CB 4.01Å; W373-H378 AromaticContact CE3-CD2 3.73Å; W373-H378 AromaticContact CE3-CG 3.57Å; W373-H378 AromaticContact CE3-ND1 3.9Å; W373-H378 AromaticContact CZ3-CE1 3.93Å; W373-H378 AromaticContact CZ3-ND1 3.93Å; W373-H378 VanDerWaalsContact O-CB 3.3Å; W373-H378 WeakPolarHBondContact O-CB 3.44Å; W373-H378 PolarHBondContact O-N 2.91Å; H378-F380 VanDerWaalsContact C-N 3.25Å; H378-F380 HydrophobicContact CB-CD2 4.28Å; H378-F380 HydrophobicContact CB-CE2 4.02Å; H378-F380 AromaticContact CD2-CD2 3.92Å; H378-F380 AromaticContact CD2-CE2 3.94Å; H378-F380 AromaticContact CD2-CG 3.98Å; H378-F380 AromaticContact CD2-CZ 4Å; H378-F380 WeakPolarHBondContact O-CD2 3.47Å; H378-F380 PolarHBondContact O-N 3.48Å; H378-N441 CarbonylContact C-O 3.52Å
379K97.3Very high95.7Very high28 Ų2817.3 Ų17.312%0.12211%0.109CC..  trans-80.958.6-168.9-63.2177134.5-158.10113.3W341 T381 Q382 R383 E393 N441W341-K379 HydrophobicContact CD2-CD 4.28Å; W341-K379 HydrophobicContact CD2-CG 4.32Å; W341-K379 HydrophobicContact CH2-CD 4.11Å; W341-K379 VanDerWaalsContact CH2-CE 3.46Å; W341-K379 HydrophobicContact CZ2-CD 3.58Å; W341-K379 HydrophobicContact CZ2-CG 4.45Å; K379-T381 PolarHBondContact O-N 3.47Å; K379-Q382 HydrophobicContact CB-CB 4.29Å; K379-Q382 PolarHBondContact O-N 2.89Å; K379-R383 HydrophobicContact CB-CG 4.19Å; K379-R383 WeakPolarHBondContact O-CB 3.44Å; K379-R383 WeakPolarHBondContact O-CG 3.45Å; K379-R383 PolarHBondContact O-N 2.99Å; K379-E393 IonicContact NZ-OE2 3.11Å; K379-E393 PolarHBondContact NZ-OE2 3.39Å; K379-N441 HydrophobicContact CB-CB 4.23Å; K379-N441 HydrophobicContact CG-CB 4.26Å
380F97.3Very high95.4Very high0 Ų021.2 Ų21.20%013%0.13CC..Hα-helixtrans-50.5-49.3-173.4-77.4-81.5000113.8W373 V374 H378 Q382 R383 C384 V398 I430 F438W373-F380 HydrophobicContact CB-CE2 3.85Å; W373-F380 HydrophobicContact CB-CZ 3.81Å; W373-F380 HydrophobicContact CE3-CZ 4.32Å; V374-F380 HydrophobicContact CG2-CE2 3.94Å; H378-F380 VanDerWaalsContact C-N 3.25Å; H378-F380 HydrophobicContact CB-CD2 4.28Å; H378-F380 HydrophobicContact CB-CE2 4.02Å; H378-F380 AromaticContact CD2-CD2 3.92Å; H378-F380 AromaticContact CD2-CE2 3.94Å; H378-F380 AromaticContact CD2-CG 3.98Å; H378-F380 AromaticContact CD2-CZ 4Å; H378-F380 WeakPolarHBondContact O-CD2 3.47Å; H378-F380 PolarHBondContact O-N 3.48Å; F380-Q382 VanDerWaalsContact C-N 3.28Å; F380-Q382 PolarHBondContact O-N 2.95Å; F380-R383 PolarHBondContact O-N 3.29Å; F380-C384 VanDerWaalsContact O-CB 3.3Å; F380-C384 WeakPolarHBondContact O-CB 3.31Å; F380-C384 PolarHBondContact O-N 3.46Å; F380-V398 HydrophobicContact CE1-CB 4.46Å; F380-V398 HydrophobicContact CE1-CG2 4.25Å; F380-I430 HydrophobicContact CD1-CG2 4.13Å; F380-I430 HydrophobicContact CE1-CG2 4.36Å; F380-F438 HydrophobicContact CB-CB 4.34Å; F380-F438 WeakPolarHBondContact CB-O 3.31Å; F380-F438 HydrophobicContact CD1-CB 4.06Å; F380-F438 AromaticContact CD1-CD1 3.89Å; F380-F438 HydrophobicContact CD1-CD1 3.89Å; F380-F438 HydrophobicContact CD1-CG 4.31Å; F380-F438 HydrophobicContact CD2-CD1 4.31Å; F380-F438 AromaticContact CE1-CD1 3.55Å; F380-F438 HydrophobicContact CE1-CD1 3.55Å; F380-F438 HydrophobicContact CE1-CE1 4.13Å; F380-F438 HydrophobicContact CE1-CG 4.33Å; F380-F438 HydrophobicContact CE2-CD1 4.01Å; F380-F438 HydrophobicContact CG-CB 4.16Å; F380-F438 HydrophobicContact CG-CD1 4.25Å; F380-F438 AromaticContact CZ-CD1 3.61Å; F380-F438 HydrophobicContact CZ-CD1 3.61Å; F380-F438 AromaticContact CZ-CE1 3.98Å; F380-F438 HydrophobicContact CZ-CE1 3.98Å
381T95.4Very high95.2Very high8 Ų824.5 Ų24.55%0.04915%0.154CC..Hα-helixtrans-53.5-44.3178.6-590000112.4Y106 K379 N385 H386 L387 G440 N441Y106-T381 HydrophobicContact CE1-CG2 4.08Å; Y106-T381 PolarHBondContact OH-OG1 3.29Å; K379-T381 PolarHBondContact O-N 3.47Å; T381-N385 PolarHBondContact O-N 2.97Å; T381-H386 HydrophobicContact CG2-CB 4.17Å; T381-H386 PolarHBondContact O-N 3.36Å; T381-L387 HydrophobicContact CG2-CB 4.1Å; T381-L387 HydrophobicContact CG2-CD1 4.08Å; T381-L387 HydrophobicContact CG2-CG 3.99Å; T381-G440 VanDerWaalsContact OG1-CA 3.31Å; T381-G440 WeakPolarHBondContact OG1-CA 3.26Å; T381-G440 PolarHBondContact OG1-N 2.86Å; T381-N441 WeakPolarHBondContact CB-OD1 3.4Å
382Q96Very high95Very high72 Ų7230.9 Ų30.934%0.33618%0.181SC..Hα-helixtrans-78.4-43.5-178.6-69.8177.1-12.500112.7K379 F380 E393 N441K379-Q382 HydrophobicContact CB-CB 4.29Å; K379-Q382 PolarHBondContact O-N 2.89Å; F380-Q382 VanDerWaalsContact C-N 3.28Å; F380-Q382 PolarHBondContact O-N 2.95Å; Q382-E393 HydrophobicContact CB-CB 4.25Å; Q382-N441 WeakPolarHBondContact CG-OD1 3.13Å; Q382-N441 PolarHBondContact N-OD1 2.82Å
383R97.4Very high95Very high7 Ų733.5 Ų33.53%0.02619%0.194CC..Hα-helixtrans-69.7-38-176.5-67.7-74.5175.7-87.6-0.1112.6D342 K379 F380 E393 V394 S395D342-R383 IonicContact OD1-CZ 3.87Å; D342-R383 IonicContact OD1-NE 4Å; D342-R383 PolarHBondContact OD1-NE 3.49Å; D342-R383 IonicContact OD1-NH2 3.96Å; D342-R383 IonicContact OD2-CZ 3.07Å; D342-R383 IonicContact OD2-NE 3.36Å; D342-R383 PolarHBondContact OD2-NE 3.18Å; D342-R383 IonicContact OD2-NH2 3.22Å; D342-R383 PolarHBondContact OD2-NH2 2.88Å; K379-R383 HydrophobicContact CB-CG 4.19Å; K379-R383 WeakPolarHBondContact O-CB 3.44Å; K379-R383 WeakPolarHBondContact O-CG 3.45Å; K379-R383 PolarHBondContact O-N 2.99Å; F380-R383 PolarHBondContact O-N 3.29Å; R383-E393 WeakPolarHBondContact CD-O 3.23Å; R383-E393 IonicContact CZ-OE2 3.27Å; R383-E393 PolarHBondContact NH1-O 2.82Å; R383-E393 IonicContact NH1-OE2 3.03Å; R383-E393 PolarHBondContact NH1-OE2 3.43Å; R383-E393 IonicContact NH2-OE2 2.75Å; R383-V394 WeakPolarHBondContact O-CG1 3.33Å; R383-S395 PolarHBondContact O-N 2.87Å
384C95.7Very high94.9Very high2 Ų235.2 Ų35.21%0.01420%0.204CC..THydrogen-bonded Turntrans-100.99.1-176.5-59.80000113.5F380 H386 I430 Y431F380-C384 VanDerWaalsContact O-CB 3.3Å; F380-C384 WeakPolarHBondContact O-CB 3.31Å; F380-C384 PolarHBondContact O-N 3.46Å; C384-H386 WeakPolarHBondContact CB-NE2 3.46Å; C384-H386 PolarHBondContact O-CD2 2.95Å; C384-H386 PolarHBondContact O-N 2.93Å; C384-I430 HydrophobicContact CB-CG2 4.4Å; C384-Y431 HydrophobicContact CB-CD1 3.78Å; C384-Y431 HydrophobicContact CB-CE1 3.48Å; C384-Y431 VanDerWaalsContact CB-CE1 3.48Å
385N94.6Very high95Very high51 Ų5134.9 Ų34.927%0.27320%0.203SC..THydrogen-bonded Turntrans52.150.4177.7-164.424.8000112.9K75 T381 L387 V394K75-N385 PolarHBondContact NZ-O 2.67Å; T381-N385 PolarHBondContact O-N 2.97Å; N385-L387 PolarHBondContact OD1-O 3.32Å; N385-V394 HydrophobicContact CB-CG1 4.23Å; N385-V394 HydrophobicContact CB-CG2 3.8Å
386H94.1Very high95Very high2 Ų234.8 Ų34.81%0.00920%0.202CC..  trans-74.3-33.3-178.7-63.4169.6000112.3P103 L109 T381 C384 I430 C433 F438P103-H386 VanDerWaalsContact CG-O 3.27Å; P103-H386 WeakPolarHBondContact CG-O 3.31Å; L109-H386 WeakPolarHBondContact CD2-O 3.31Å; T381-H386 HydrophobicContact CG2-CB 4.17Å; T381-H386 PolarHBondContact O-N 3.36Å; C384-H386 WeakPolarHBondContact CB-NE2 3.46Å; C384-H386 PolarHBondContact O-CD2 2.95Å; C384-H386 PolarHBondContact O-N 2.93Å; H386-I430 PolarHBondContact NE2-O 3.34Å; H386-I430 VanDerWaalsContact NE2-O 3.11Å; H386-C433 VanDerWaalsContact CD2-SG 3.53Å; H386-C433 VanDerWaalsContact CG-SG 3.57Å; H386-F438 PolarHBondContact CE1-O 3.06Å; H386-F438 PolarHBondContact ND1-O 2.8Å
387L92.5Very high95.1Very high26 Ų2634.7 Ų34.714%0.13620%0.201CC..SBendtrans-122.9156.7174.4-64.9179.6000109.6P103 R105 Y106 L109 T381 N385 G389P103-L387 HydrophobicContact CB-CD2 4.07Å; P103-L387 HydrophobicContact CG-CD2 4.16Å; P103-L387 WeakPolarHBondContact O-CA 3.49Å; R105-L387 WeakPolarHBondContact O-CD2 3.14Å; Y106-L387 HydrophobicContact CD1-CD1 3.75Å; Y106-L387 HydrophobicContact CD1-CG 4.34Å; Y106-L387 HydrophobicContact CD2-CD1 4.19Å; Y106-L387 HydrophobicContact CE1-CD1 3.56Å; Y106-L387 HydrophobicContact CE1-CG 4.19Å; Y106-L387 HydrophobicContact CE2-CD1 4.05Å; Y106-L387 HydrophobicContact CG-CD1 4.06Å; L109-L387 HydrophobicContact CD1-CD2 4.36Å; L109-L387 HydrophobicContact CD2-CD2 3.91Å; L109-L387 HydrophobicContact CG-CD2 4.1Å; T381-L387 HydrophobicContact CG2-CB 4.1Å; T381-L387 HydrophobicContact CG2-CD1 4.08Å; T381-L387 HydrophobicContact CG2-CG 3.99Å; N385-L387 PolarHBondContact OD1-O 3.32Å; L387-G389 PolarHBondContact O-N 2.8Å; L387-G389 VanDerWaalsContact O-N 3.16Å
388A88.4Confident95.1Very high57 Ų5734.9 Ų34.947%0.47120%0.202SC..SBendtrans-56.7117.6171.100000110.9P103 Q104P103-A388 PolarHBondContact O-N 3.25Å; Q104-A388 HydrophobicContact CG-CB 4.46Å
389G88.8Confident95.1Very high56 Ų5634.9 Ų34.958%0.57720%0.202SC*.  trans-155.5-166.7-176.600000112.1L387 P391L387-G389 PolarHBondContact O-N 2.8Å; L387-G389 VanDerWaalsContact O-N 3.16Å; G389-P391 VanDerWaalsContact O-CD 3.31Å; G389-P391 WeakPolarHBondContact O-CD 3.49Å
390D91.9Very high95.1Very high88 Ų8833.5 Ų33.547%0.47120%0.197SC..  trans-69.2116.2178.6-176-3.4000110.9K392 E393D390-K392 PolarHBondContact O-N 3.21Å; D390-K392 VanDerWaalsContact O-N 3.07Å; D390-K392 VanDerWaalsContact OD1-CB 3.27Å; D390-K392 WeakPolarHBondContact OD1-CB 3.39Å; D390-K392 WeakPolarHBondContact OD1-CG 3.37Å; D390-K392 PolarHBondContact OD1-N 3.24Å; D390-E393 PolarHBondContact O-N 3.23Å
391P91.4Very high95.2Very high94 Ų9433.5 Ų33.561%0.6120%0.197SC*.G310 helixtrans-60.5-18.917726.4-35.7000113R280 G389 E393 V394R280-P391 PolarHBondContact NH1-O 3.48Å; G389-P391 VanDerWaalsContact O-CD 3.31Å; G389-P391 WeakPolarHBondContact O-CD 3.49Å; P391-E393 VanDerWaalsContact C-N 3.29Å; P391-E393 PolarHBondContact O-N 3.27Å; P391-V394 PolarHBondContact O-N 3.19Å
392K94.8Very high95.3Very high135 Ų13533.2 Ų33.259%0.58720%0.195SC*.G310 helixtrans-69.2-23.8175.7-61.7176.8-177.9177.90113.1H277 R280 D390H277-K392 PolarHBondContact CE1-O 2.91Å; H277-K392 PolarHBondContact ND1-O 3.36Å; R280-K392 VanDerWaalsContact NH1-C 3.33Å; R280-K392 PolarHBondContact NH1-O 2.96Å; D390-K392 PolarHBondContact O-N 3.21Å; D390-K392 VanDerWaalsContact O-N 3.07Å; D390-K392 VanDerWaalsContact OD1-CB 3.27Å; D390-K392 WeakPolarHBondContact OD1-CB 3.39Å; D390-K392 WeakPolarHBondContact OD1-CG 3.37Å; D390-K392 PolarHBondContact OD1-N 3.24Å
393E96.1Very high95.3Very high55 Ų5529.8 Ų29.826%0.25718%0.178SC..G310 helixtrans-84-12.1175.7-73.7-73.7131.700113.5K379 Q382 R383 D390 P391K379-E393 IonicContact NZ-OE2 3.11Å; K379-E393 PolarHBondContact NZ-OE2 3.39Å; Q382-E393 HydrophobicContact CB-CB 4.25Å; R383-E393 WeakPolarHBondContact CD-O 3.23Å; R383-E393 IonicContact CZ-OE2 3.27Å; R383-E393 PolarHBondContact NH1-O 2.82Å; R383-E393 IonicContact NH1-OE2 3.03Å; R383-E393 PolarHBondContact NH1-OE2 3.43Å; R383-E393 IonicContact NH2-OE2 2.75Å; D390-E393 PolarHBondContact O-N 3.23Å; P391-E393 VanDerWaalsContact C-N 3.29Å; P391-E393 PolarHBondContact O-N 3.27Å
394V96.5Very high95.3Very high37 Ų3729.4 Ų29.422%0.22418%0.177CC..  trans-72130.3177.9-1780000110R280 R383 N385 P391R280-V394 WeakPolarHBondContact CD-O 3.3Å; R280-V394 PolarHBondContact NH1-O 3.44Å; R383-V394 WeakPolarHBondContact O-CG1 3.33Å; N385-V394 HydrophobicContact CB-CG1 4.23Å; N385-V394 HydrophobicContact CB-CG2 3.8Å; P391-V394 PolarHBondContact O-N 3.19Å
395S97.9Very high95.4Very high4 Ų429.4 Ų29.43%0.02818%0.177CC..  trans-167.9139.1-177.3-1700000112.9I276 R383 I397I276-S395 WeakPolarHBondContact CA-OG 3.38Å; I276-S395 WeakPolarHBondContact O-CB 3.16Å; I276-S395 PolarHBondContact O-OG 3.48Å; R383-S395 PolarHBondContact O-N 2.87Å; S395-I397 PolarHBondContact O-N 3.23Å; S395-I397 WeakPolarHBondContact OG-CD1 3.27Å
396P97.2Very high95.5Very high3 Ų327.6 Ų27.62%0.01917%0.166CC..  trans-81.147.3-171.635.8-40.5000114.4Q283 W309 V398 D399 Q400Q283-P396 HydrophobicContact CB-CG 3.87Å; Q283-P396 VanDerWaalsContact CD-CB 3.45Å; Q283-P396 HydrophobicContact CG-CG 4.31Å; Q283-P396 VanDerWaalsContact NE2-CB 3.3Å; Q283-P396 VanDerWaalsContact OE1-CB 3.26Å; W309-P396 HydrophobicContact CH2-CB 4.12Å; W309-P396 HydrophobicContact CH2-CG 3.84Å; W309-P396 HydrophobicContact CZ3-CG 3.86Å; P396-V398 VanDerWaalsContact C-N 3.32Å; P396-V398 PolarHBondContact O-N 3.23Å; P396-D399 HydrophobicContact CB-CB 4.01Å; P396-D399 WeakPolarHBondContact CB-OD2 3.2Å; P396-D399 PolarHBondContact O-N 3.06Å; P396-Q400 WeakPolarHBondContact O-CG 3.3Å; P396-Q400 PolarHBondContact O-N 3.47Å; P396-Q400 VanDerWaalsContact O-N 3.14Å
397I98.4Very high95.4Very high2 Ų227.5 Ų27.51%0.0117%0.166CC..Hα-helixtrans-65.6-35.6-174-57.4-56000111.9I276 M279 D342 Q346 W373 S395 F401I276-I397 HydrophobicContact CG2-CD1 4.11Å; I276-I397 HydrophobicContact CG2-CG1 4.35Å; M279-I397 HydrophobicContact CB-CD1 4.37Å; M279-I397 HydrophobicContact CG-CD1 4.24Å; D342-I397 HydrophobicContact CB-CG1 4.41Å; D342-I397 HydrophobicContact CB-CG2 4.06Å; Q346-I397 HydrophobicContact CG-CG2 3.84Å; Q346-I397 PolarHBondContact NE2-O 3.06Å; W373-I397 HydrophobicContact CH2-CG2 4.18Å; W373-I397 WeakPolarHBondContact CH2-O 2.97Å; W373-I397 HydrophobicContact CZ3-CG2 4.03Å; S395-I397 PolarHBondContact O-N 3.23Å; S395-I397 WeakPolarHBondContact OG-CD1 3.27Å; I397-F401 PolarHBondContact O-N 2.88Å
398V97.5Very high95.5Very high4 Ų426.3 Ų26.32%0.02416%0.16CC..Hα-helixtrans-76.8-36.4176.468.70000112.2W373 F380 P396 Q400 F401 L402 I430W373-V398 HydrophobicContact CE3-CB 4.38Å; W373-V398 HydrophobicContact CE3-CG2 4.33Å; W373-V398 HydrophobicContact CH2-CB 4.47Å; W373-V398 HydrophobicContact CZ3-CB 3.92Å; W373-V398 HydrophobicContact CZ3-CG2 4.2Å; F380-V398 HydrophobicContact CE1-CB 4.46Å; F380-V398 HydrophobicContact CE1-CG2 4.25Å; P396-V398 VanDerWaalsContact C-N 3.32Å; P396-V398 PolarHBondContact O-N 3.23Å; V398-Q400 VanDerWaalsContact C-N 3.31Å; V398-Q400 PolarHBondContact O-N 3.25Å; V398-F401 WeakPolarHBondContact O-CB 3.42Å; V398-F401 PolarHBondContact O-N 3.01Å; V398-L402 PolarHBondContact O-N 3.27Å; V398-I430 HydrophobicContact CG1-CD1 4.26Å; V398-I430 HydrophobicContact CG1-CG2 4.42Å; V398-I430 HydrophobicContact CG2-CD1 3.81Å
399D97.4Very high95.7Very high1 Ų124 Ų241%0.00514%0.139CC..Hα-helixtrans-58.7-45.6176.1-47.9-3.9000110.2Q283 P396 F401 L402 E403 H427 Y431Q283-D399 PolarHBondContact NE2-OD2 3.22Å; P396-D399 HydrophobicContact CB-CB 4.01Å; P396-D399 WeakPolarHBondContact CB-OD2 3.2Å; P396-D399 PolarHBondContact O-N 3.06Å; D399-F401 VanDerWaalsContact C-N 3.27Å; D399-F401 PolarHBondContact O-N 2.93Å; D399-L402 PolarHBondContact O-N 3.4Å; D399-E403 WeakPolarHBondContact O-CB 3.23Å; D399-E403 PolarHBondContact O-N 3.03Å; D399-H427 IonicContact OD1-CD2 3.22Å; D399-H427 IonicContact OD1-NE2 3.44Å; D399-H427 IonicContact OD2-NE2 2.61Å; D399-Y431 VanDerWaalsContact CG-OH 3.28Å; D399-Y431 WeakPolarHBondContact OD1-CE2 3.23Å; D399-Y431 PolarHBondContact OD1-OH 2.77Å; D399-Y431 PolarHBondContact OD2-OH 2.98Å
400Q97.9Very high95.8Very high0 Ų023.3 Ų23.30%012%0.121CC..Hα-helixtrans-58.8-36.5175.2-71.3-176.4-30.200112.7M279 W309 I313 P396 V398 C404M279-Q400 PolarHBondContact SD-NE2 3.28Å; W309-Q400 HydrophobicContact CH2-CG 3.33Å; W309-Q400 HydrophobicContact CZ2-CG 3.79Å; W309-Q400 HydrophobicContact CZ3-CG 3.91Å; I313-Q400 HydrophobicContact CD1-CB 3.83Å; I313-Q400 HydrophobicContact CD1-CG 3.79Å; P396-Q400 WeakPolarHBondContact O-CG 3.3Å; P396-Q400 PolarHBondContact O-N 3.47Å; P396-Q400 VanDerWaalsContact O-N 3.14Å; V398-Q400 VanDerWaalsContact C-N 3.31Å; V398-Q400 PolarHBondContact O-N 3.25Å; Q400-C404 WeakPolarHBondContact O-CB 3.47Å; Q400-C404 PolarHBondContact O-N 3.33Å; Q400-C404 PolarHBondContact O-SG 3.12Å
401F98.5Very high95.6Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-70.3-45.4175.6162-108.5000111.9Q346 V350 L365 L368 I369 W373 I397 V398 D399 E403 C404 V405Q346-F401 HydrophobicContact CG-CB 4.49Å; V350-F401 HydrophobicContact CG2-CD2 4.07Å; V350-F401 HydrophobicContact CG2-CE2 4.45Å; L365-F401 HydrophobicContact CD1-CZ 4.28Å; L368-F401 HydrophobicContact CD2-CZ 4.29Å; I369-F401 HydrophobicContact CD1-CE1 4.48Å; I369-F401 HydrophobicContact CG1-CE1 4.14Å; W373-F401 AromaticContact CE2-CD1 3.93Å; W373-F401 HydrophobicContact CH2-CB 3.58Å; W373-F401 HydrophobicContact CH2-CD1 4.43Å; W373-F401 HydrophobicContact CH2-CG 4.11Å; W373-F401 HydrophobicContact CZ2-CB 3.36Å; W373-F401 AromaticContact CZ2-CD1 3.69Å; W373-F401 HydrophobicContact CZ2-CD1 3.69Å; W373-F401 HydrophobicContact CZ2-CD2 4.02Å; W373-F401 AromaticContact CZ2-CG 3.38Å; W373-F401 HydrophobicContact CZ2-CG 3.38Å; I397-F401 PolarHBondContact O-N 2.88Å; V398-F401 WeakPolarHBondContact O-CB 3.42Å; V398-F401 PolarHBondContact O-N 3.01Å; D399-F401 VanDerWaalsContact C-N 3.27Å; D399-F401 PolarHBondContact O-N 2.93Å; F401-E403 VanDerWaalsContact C-N 3.27Å; F401-E403 PolarHBondContact O-N 3.33Å; F401-C404 WeakPolarHBondContact O-CB 3.5Å; F401-C404 PolarHBondContact O-N 3.16Å; F401-C404 VanDerWaalsContact O-N 3.16Å; F401-V405 HydrophobicContact CD2-CG2 4.26Å; F401-V405 HydrophobicContact CE1-CG2 4.47Å; F401-V405 HydrophobicContact CE2-CG2 3.67Å; F401-V405 HydrophobicContact CZ-CG2 3.8Å; F401-V405 WeakPolarHBondContact O-CG2 3.35Å; F401-V405 PolarHBondContact O-N 2.89Å
402L98.3Very high95.6Very high1 Ų117.4 Ų17.41%0.0058%0.082CC..Hα-helixtrans-61.7-38.5176.7-65176.4000110.9V398 D399 V405 W406 L423 V426 H427 I430 W502V398-L402 PolarHBondContact O-N 3.27Å; D399-L402 PolarHBondContact O-N 3.4Å; L402-V405 PolarHBondContact O-N 2.7Å; L402-W406 PolarHBondContact O-N 3.21Å; L402-L423 HydrophobicContact CD2-CD2 4.19Å; L402-V426 HydrophobicContact CD1-CG1 4.45Å; L402-V426 HydrophobicContact CD2-CG1 4.39Å; L402-H427 HydrophobicContact CD1-CB 3.8Å; L402-I430 HydrophobicContact CD1-CD1 4.33Å; L402-W502 HydrophobicContact CB-CH2 4.22Å; L402-W502 HydrophobicContact CB-CZ3 4.14Å
403E96.7Very high95.4Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-67.9-39.7173.8-171.5170.7173.400111.9W309 I313 D399 F401 V405 W406 Q407 W502 Y506W309-E403 PolarHBondContact NE1-OE2 2.97Å; I313-E403 HydrophobicContact CD1-CB 4.07Å; I313-E403 HydrophobicContact CD1-CG 4.25Å; I313-E403 HydrophobicContact CG1-CG 4.39Å; I313-E403 HydrophobicContact CG2-CG 4.41Å; D399-E403 WeakPolarHBondContact O-CB 3.23Å; D399-E403 PolarHBondContact O-N 3.03Å; F401-E403 VanDerWaalsContact C-N 3.27Å; F401-E403 PolarHBondContact O-N 3.33Å; E403-V405 VanDerWaalsContact C-N 3.25Å; E403-V405 PolarHBondContact O-N 3.03Å; E403-W406 HydrophobicContact CG-CE3 4.36Å; E403-W406 PolarHBondContact O-N 3.44Å; E403-W406 VanDerWaalsContact O-N 3.15Å; E403-Q407 HydrophobicContact CG-CG 4.17Å; E403-Q407 WeakPolarHBondContact O-CG 3.47Å; E403-Q407 PolarHBondContact O-N 3.1Å; E403-Q407 PolarHBondContact OE1-NE2 3.42Å; E403-W502 HydrophobicContact CB-CE3 3.66Å; E403-W502 HydrophobicContact CB-CZ3 3.9Å; E403-W502 HydrophobicContact CG-CB 4.45Å; E403-W502 HydrophobicContact CG-CE3 3.81Å; E403-Y506 PolarHBondContact OE2-OH 3.13Å
404C97.1Very high95.2Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-56.4-40.9171.4-70.40000111.7L317 V350 Q400 F401 L408L317-C404 HydrophobicContact CD2-CB 3.82Å; L317-C404 HydrophobicContact CG-CB 4.1Å; V350-C404 HydrophobicContact CG2-CB 3.77Å; Q400-C404 WeakPolarHBondContact O-CB 3.47Å; Q400-C404 PolarHBondContact O-N 3.33Å; Q400-C404 PolarHBondContact O-SG 3.12Å; F401-C404 WeakPolarHBondContact O-CB 3.5Å; F401-C404 PolarHBondContact O-N 3.16Å; F401-C404 VanDerWaalsContact O-N 3.16Å; C404-L408 VanDerWaalsContact O-CG 3.32Å; C404-L408 WeakPolarHBondContact O-CG 3.47Å; C404-L408 PolarHBondContact O-N 2.88Å
405V97.6Very high95.1Very high1 Ų19.9 Ų9.91%0.0065%0.053CC..Hα-helixtrans-66.8-43.9175.31780000111.1V353 F401 L402 E403 Q407 L408 M409 F416 Y418 L423V353-V405 HydrophobicContact CG2-CG2 4.49Å; F401-V405 HydrophobicContact CD2-CG2 4.26Å; F401-V405 HydrophobicContact CE1-CG2 4.47Å; F401-V405 HydrophobicContact CE2-CG2 3.67Å; F401-V405 HydrophobicContact CZ-CG2 3.8Å; F401-V405 WeakPolarHBondContact O-CG2 3.35Å; F401-V405 PolarHBondContact O-N 2.89Å; L402-V405 PolarHBondContact O-N 2.7Å; E403-V405 VanDerWaalsContact C-N 3.25Å; E403-V405 PolarHBondContact O-N 3.03Å; V405-Q407 PolarHBondContact O-N 3.04Å; V405-L408 WeakPolarHBondContact O-CB 3.4Å; V405-L408 PolarHBondContact O-N 2.78Å; V405-L408 VanDerWaalsContact O-N 3.12Å; V405-M409 HydrophobicContact CG1-SD 4.19Å; V405-M409 WeakPolarHBondContact O-CG 3.44Å; V405-M409 PolarHBondContact O-N 3.04Å; V405-F416 HydrophobicContact CG1-CE1 4.26Å; V405-Y418 HydrophobicContact CG1-CE2 3.85Å; V405-Y418 WeakPolarHBondContact CG1-OH 3.48Å; V405-L423 HydrophobicContact CB-CD1 4.35Å; V405-L423 HydrophobicContact CG1-CD1 4.12Å; V405-L423 HydrophobicContact CG1-CD2 4.15Å
406W96.1Very high95Very high13 Ų139.8 Ų9.85%0.0495%0.052CC..Hα-helixtrans-59.9-44.7176.217875.1000112.8L402 E403 L408 M409 E410 L423 R500 W502L402-W406 PolarHBondContact O-N 3.21Å; E403-W406 HydrophobicContact CG-CE3 4.36Å; E403-W406 PolarHBondContact O-N 3.44Å; E403-W406 VanDerWaalsContact O-N 3.15Å; W406-L408 PolarHBondContact O-N 3.47Å; W406-M409 WeakPolarHBondContact O-CB 3.49Å; W406-M409 PolarHBondContact O-N 2.98Å; W406-E410 HydrophobicContact CD2-CG 4.18Å; W406-E410 HydrophobicContact CH2-CG 4.15Å; W406-E410 HydrophobicContact CZ2-CG 3.74Å; W406-E410 PolarHBondContact O-N 3.28Å; W406-L423 HydrophobicContact CB-CD1 3.83Å; W406-R500 HydrophobicContact CH2-CB 3.73Å; W406-R500 HydrophobicContact CZ3-CB 4.12Å; W406-R500 WeakPolarHBondContact CZ3-O 3.23Å; W406-W502 HydrophobicContact CB-CD2 4.17Å; W406-W502 HydrophobicContact CB-CE3 4.27Å; W406-W502 HydrophobicContact CB-CH2 4.12Å; W406-W502 HydrophobicContact CB-CZ2 4.01Å; W406-W502 HydrophobicContact CB-CZ3 4.24Å; W406-W502 AromaticContact CD1-CE2 3.75Å; W406-W502 AromaticContact CD1-NE1 3.57Å; W406-W502 HydrophobicContact CD2-CB 4.19Å; W406-W502 AromaticContact CD2-CD1 3.56Å; W406-W502 AromaticContact CD2-CD2 3.84Å; W406-W502 HydrophobicContact CD2-CD2 3.84Å; W406-W502 AromaticContact CD2-CE2 3.95Å; W406-W502 AromaticContact CD2-CG 3.63Å; W406-W502 HydrophobicContact CD2-CG 3.63Å; W406-W502 AromaticContact CD2-NE1 3.8Å; W406-W502 AromaticContact CE2-CD1 3.38Å; W406-W502 AromaticContact CE2-CG 3.91Å; W406-W502 AromaticContact CE2-NE1 3.67Å; W406-W502 HydrophobicContact CE3-CB 3.71Å; W406-W502 AromaticContact CE3-CD1 4Å; W406-W502 HydrophobicContact CE3-CD2 4.08Å; W406-W502 AromaticContact CE3-CG 3.66Å; W406-W502 HydrophobicContact CE3-CG 3.66Å; W406-W502 AromaticContact CG-CD2 3.87Å; W406-W502 HydrophobicContact CG-CD2 3.87Å; W406-W502 AromaticContact CG-CE2 3.61Å; W406-W502 HydrophobicContact CG-CE3 4.44Å; W406-W502 HydrophobicContact CG-CG 4.15Å; W406-W502 AromaticContact CG-CZ2 3.99Å; W406-W502 HydrophobicContact CG-CZ2 3.99Å; W406-W502 AromaticContact CG-NE1 3.76Å; W406-W502 HydrophobicContact CH2-CB 4.06Å; W406-W502 HydrophobicContact CH2-CG 4.28Å; W406-W502 HydrophobicContact CZ2-CB 4.49Å; W406-W502 AromaticContact CZ2-CD1 3.7Å; W406-W502 HydrophobicContact CZ2-CG 4.24Å; W406-W502 HydrophobicContact CZ3-CB 3.63Å; W406-W502 AromaticContact CZ3-CG 3.99Å; W406-W502 HydrophobicContact CZ3-CG 3.99Å; W406-W502 AromaticContact NE1-CD1 3.71Å; W406-W502 AromaticContact NE1-NE1 3.5Å
407Q93.3Very high94.9Very high0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-62.3-29175.9-60.5-79.3-3.200112.1I313 L317 E403 V405 Q411 N497 L498 R500I313-Q407 HydrophobicContact CG2-CG 4.18Å; L317-Q407 HydrophobicContact CD1-CB 4.24Å; E403-Q407 HydrophobicContact CG-CG 4.17Å; E403-Q407 WeakPolarHBondContact O-CG 3.47Å; E403-Q407 PolarHBondContact O-N 3.1Å; E403-Q407 PolarHBondContact OE1-NE2 3.42Å; V405-Q407 PolarHBondContact O-N 3.04Å; Q407-Q411 PolarHBondContact O-N 3.42Å; Q407-N497 PolarHBondContact OE1-O 2.95Å; Q407-L498 HydrophobicContact CB-CD1 3.73Å; Q407-L498 PolarHBondContact OE1-O 3.24Å; Q407-L498 VanDerWaalsContact OE1-O 3.09Å; Q407-R500 PolarHBondContact NE2-O 3.09Å
408L94.2Very high94.8Very high1 Ų112 Ų121%0.0056%0.062CC..Hα-helixtrans-74.5-36.8171.8-66.2174.3000112.3L317 V353 L354 C404 V405 W406 E410 Q411 F412 F416 P489L317-L408 HydrophobicContact CD2-CD1 4.45Å; L317-L408 HydrophobicContact CD2-CD2 4.22Å; L317-L408 HydrophobicContact CD2-CG 4.16Å; V353-L408 HydrophobicContact CG1-CD1 4.01Å; L354-L408 HydrophobicContact CD2-CD1 3.81Å; L354-L408 HydrophobicContact CD2-CD2 3.73Å; L354-L408 HydrophobicContact CD2-CG 4.45Å; L354-L408 HydrophobicContact CG-CD1 4.27Å; C404-L408 VanDerWaalsContact O-CG 3.32Å; C404-L408 WeakPolarHBondContact O-CG 3.47Å; C404-L408 PolarHBondContact O-N 2.88Å; V405-L408 WeakPolarHBondContact O-CB 3.4Å; V405-L408 PolarHBondContact O-N 2.78Å; V405-L408 VanDerWaalsContact O-N 3.12Å; W406-L408 PolarHBondContact O-N 3.47Å; L408-E410 VanDerWaalsContact C-N 3.35Å; L408-Q411 PolarHBondContact O-N 3.08Å; L408-F412 HydrophobicContact CD2-CE2 4.44Å; L408-F412 VanDerWaalsContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CD2 3.48Å; L408-F412 PolarHBondContact O-N 2.65Å; L408-F416 HydrophobicContact CB-CE2 4.04Å; L408-F416 HydrophobicContact CB-CZ 3.72Å; L408-P489 HydrophobicContact CD2-CB 3.67Å; L408-P489 HydrophobicContact CD2-CG 3.7Å
409M92.8Very high94.7Very high8 Ų812 Ų124%0.0396%0.062CC..Hα-helixtrans-62.5-43.1174.1-66.7167.760.700111.2V405 W406 Q411 F412 P413 F416 Y418 N419 L423V405-M409 HydrophobicContact CG1-SD 4.19Å; V405-M409 WeakPolarHBondContact O-CG 3.44Å; V405-M409 PolarHBondContact O-N 3.04Å; W406-M409 WeakPolarHBondContact O-CB 3.49Å; W406-M409 PolarHBondContact O-N 2.98Å; M409-Q411 VanDerWaalsContact C-N 3.27Å; M409-Q411 PolarHBondContact O-N 3.46Å; M409-F412 CarbonylContact O-C 3.47Å; M409-F412 PolarHBondContact O-N 2.85Å; M409-F412 VanDerWaalsContact O-N 3.11Å; M409-P413 WeakPolarHBondContact O-CA 3.33Å; M409-P413 VanDerWaalsContact O-N 3.16Å; M409-F416 HydrophobicContact CB-CD2 4.16Å; M409-F416 HydrophobicContact CB-CE2 4.47Å; M409-F416 HydrophobicContact CG-CB 4.02Å; M409-F416 HydrophobicContact CG-CD1 3.96Å; M409-F416 HydrophobicContact CG-CD2 3.51Å; M409-F416 HydrophobicContact CG-CE1 4.28Å; M409-F416 HydrophobicContact CG-CE2 3.89Å; M409-F416 HydrophobicContact CG-CG 3.56Å; M409-F416 HydrophobicContact CG-CZ 4.25Å; M409-Y418 HydrophobicContact CE-CD2 4.14Å; M409-Y418 HydrophobicContact CE-CE2 4.49Å; M409-Y418 WeakPolarHBondContact CE-O 3.46Å; M409-Y418 HydrophobicContact SD-CD2 3.9Å; M409-Y418 HydrophobicContact SD-CE2 3.68Å; M409-N419 VanDerWaalsContact CE-C 3.46Å; M409-L423 HydrophobicContact SD-CD1 3.62Å; M409-L423 HydrophobicContact SD-CG 4.32Å
410E89.8Confident94.5Very high42 Ų4213.5 Ų13.520%0.1967%0.069CC..Hα-helixtrans-61.3-29174.1-74.9-73.4126.500113.8W406 L408 N497 R500W406-E410 HydrophobicContact CD2-CG 4.18Å; W406-E410 HydrophobicContact CH2-CG 4.15Å; W406-E410 HydrophobicContact CZ2-CG 3.74Å; W406-E410 PolarHBondContact O-N 3.28Å; L408-E410 VanDerWaalsContact C-N 3.35Å; E410-N497 PolarHBondContact O-ND2 3.38Å; E410-R500 WeakPolarHBondContact OE2-CD 3.44Å; E410-R500 IonicContact OE2-CZ 2.85Å; E410-R500 VanDerWaalsContact OE2-CZ 3.22Å; E410-R500 IonicContact OE2-NE 2.7Å; E410-R500 PolarHBondContact OE2-NE 2.94Å; E410-R500 IonicContact OE2-NH1 3.18Å; E410-R500 PolarHBondContact OE2-NH1 3.34Å
411Q89Confident94.3Very high32 Ų3216.2 Ų16.215%0.158%0.084CC..Hα-helixtrans-84.6-29.2171.8-71.6-157.929.700113.6Q407 L408 M409 P489 S490 N497 L498Q407-Q411 PolarHBondContact O-N 3.42Å; L408-Q411 PolarHBondContact O-N 3.08Å; M409-Q411 VanDerWaalsContact C-N 3.27Å; M409-Q411 PolarHBondContact O-N 3.46Å; Q411-P489 VanDerWaalsContact OE1-CA 3.22Å; Q411-S490 PolarHBondContact NE2-O 3.4Å; Q411-N497 HydrophobicContact CG-CB 4.08Å; Q411-L498 HydrophobicContact CG-CD1 4.45Å
412F91.3Very high94.2Very high26 Ų2616.3 Ų16.311%0.1148%0.084CC..  trans-131.167-174.2-53.7-70.4000112.7L408 M409 C414 A415 F416 Q482 L487 P489L408-F412 HydrophobicContact CD2-CE2 4.44Å; L408-F412 VanDerWaalsContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CD2 3.48Å; L408-F412 PolarHBondContact O-N 2.65Å; M409-F412 CarbonylContact O-C 3.47Å; M409-F412 PolarHBondContact O-N 2.85Å; M409-F412 VanDerWaalsContact O-N 3.11Å; F412-C414 PolarHBondContact O-N 3.32Å; F412-A415 HydrophobicContact CB-CB 3.67Å; F412-A415 WeakPolarHBondContact O-CB 3.43Å; F412-A415 PolarHBondContact O-N 3.04Å; F412-F416 HydrophobicContact CB-CE2 4.36Å; F412-Q482 HydrophobicContact CD1-CG 4.42Å; F412-L487 HydrophobicContact CB-CD2 4.2Å; F412-L487 HydrophobicContact CD1-CD2 3.86Å; F412-L487 HydrophobicContact CD2-CB 4.39Å; F412-L487 HydrophobicContact CD2-CD1 3.91Å; F412-L487 HydrophobicContact CD2-CD2 3.75Å; F412-L487 HydrophobicContact CD2-CG 4.23Å; F412-L487 HydrophobicContact CE1-CD2 4.14Å; F412-L487 HydrophobicContact CE2-CB 4.05Å; F412-L487 HydrophobicContact CE2-CD1 4.37Å; F412-L487 HydrophobicContact CE2-CD2 4.04Å; F412-L487 HydrophobicContact CE2-CG 4.38Å; F412-L487 HydrophobicContact CG-CD1 4.44Å; F412-L487 HydrophobicContact CG-CD2 3.66Å; F412-L487 HydrophobicContact CZ-CB 4.44Å; F412-L487 HydrophobicContact CZ-CD2 4.23Å; F412-P489 HydrophobicContact CE2-CB 4Å; F412-P489 HydrophobicContact CZ-CB 4.4Å
413P89.9Confident94.1Very high49 Ų4916.3 Ų16.332%0.3188%0.084SC..THydrogen-bonded Turntrans-61.6-18.6-170.7-2636000115.4M409 N473 L475M409-P413 WeakPolarHBondContact O-CA 3.33Å; M409-P413 VanDerWaalsContact O-N 3.16Å; P413-N473 PolarHBondContact O-ND2 3.23Å; P413-L475 HydrophobicContact CB-CD1 4.19Å
414C91Very high94.1Very high20 Ų2017.6 Ų17.614%0.1359%0.091CC..THydrogen-bonded Turntrans-93.6-10.2177.2-62.30000114.2F412 L475 Y476 R477 S483F412-C414 PolarHBondContact O-N 3.32Å; C414-L475 WeakPolarHBondContact CA-O 3.5Å; C414-Y476 WeakPolarHBondContact O-CD2 3.41Å; C414-R477 PolarHBondContact O-N 3.05Å; C414-S483 PolarHBondContact O-OG 3.07Å
415A94.3Very high94Very high1 Ų118.6 Ų18.61%0.00810%0.097CC..THydrogen-bonded Turntrans-87.5-18.4-166.400000114.9R360 F412 Q482 L487R360-A415 WeakPolarHBondContact CB-O 3.3Å; F412-A415 HydrophobicContact CB-CB 3.67Å; F412-A415 WeakPolarHBondContact O-CB 3.43Å; F412-A415 PolarHBondContact O-N 3.04Å; A415-Q482 HydrophobicContact CB-CB 4.23Å; A415-Q482 VanDerWaalsContact CB-O 3.24Å; A415-Q482 WeakPolarHBondContact CB-O 3.35Å; A415-L487 HydrophobicContact CB-CD2 4.24Å
416F96.3Very high94Very high1 Ų118.6 Ų18.60%0.00410%0.097CC..  trans-110.8129.7-175.1-65.9-91.8000110.4V353 R360 V405 L408 M409 F412 Y418 N473 Y476 L487V353-F416 HydrophobicContact CG1-CE1 3.62Å; V353-F416 HydrophobicContact CG1-CZ 3.89Å; R360-F416 HydrophobicContact CB-CD1 3.87Å; R360-F416 HydrophobicContact CB-CE1 4.23Å; R360-F416 HydrophobicContact CB-CG 4.45Å; R360-F416 HydrophobicContact CG-CD1 4.1Å; R360-F416 HydrophobicContact CG-CE1 3.95Å; V405-F416 HydrophobicContact CG1-CE1 4.26Å; L408-F416 HydrophobicContact CB-CE2 4.04Å; L408-F416 HydrophobicContact CB-CZ 3.72Å; M409-F416 HydrophobicContact CB-CD2 4.16Å; M409-F416 HydrophobicContact CB-CE2 4.47Å; M409-F416 HydrophobicContact CG-CB 4.02Å; M409-F416 HydrophobicContact CG-CD1 3.96Å; M409-F416 HydrophobicContact CG-CD2 3.51Å; M409-F416 HydrophobicContact CG-CE1 4.28Å; M409-F416 HydrophobicContact CG-CE2 3.89Å; M409-F416 HydrophobicContact CG-CG 3.56Å; M409-F416 HydrophobicContact CG-CZ 4.25Å; F412-F416 HydrophobicContact CB-CE2 4.36Å; F416-Y418 HydrophobicContact CB-CE2 4.44Å; F416-Y418 HydrophobicContact CD1-CE1 4.25Å; F416-Y418 AromaticContact CD1-CE2 3.84Å; F416-Y418 HydrophobicContact CD1-CE2 3.84Å; F416-Y418 AromaticContact CD1-CZ 3.58Å; F416-Y418 WeakPolarHBondContact CD1-OH 3.48Å; F416-Y418 PolarHBondContact O-N 3.23Å; F416-N473 WeakPolarHBondContact O-CB 3.41Å; F416-N473 PolarHBondContact O-ND2 3.26Å; F416-Y476 WeakPolarHBondContact O-CB 3.24Å; F416-Y476 WeakPolarHBondContact O-CD2 3.43Å; F416-L487 HydrophobicContact CE2-CD1 4.11Å; F416-L487 HydrophobicContact CZ-CD1 4Å
417E95.8Very high94Very high52 Ų5218 Ų1824%0.2439%0.094CC..SBendtrans-69.4-27.1177.3-172.4-177.5-15000111.6R360 T361 L362 I472 N473 Y476R360-E417 PolarHBondContact O-N 3.11Å; T361-E417 WeakPolarHBondContact CA-OE2 3.44Å; T361-E417 WeakPolarHBondContact CB-OE2 3.44Å; L362-E417 PolarHBondContact N-OE2 2.85Å; E417-I472 HydrophobicContact CG-CD1 3.8Å; E417-I472 WeakPolarHBondContact O-CA 3.4Å; E417-N473 PolarHBondContact O-N 3.13Å; E417-Y476 VanDerWaalsContact CA-CG 3.48Å; E417-Y476 HydrophobicContact CB-CD1 3.98Å; E417-Y476 HydrophobicContact CB-CD2 4.22Å; E417-Y476 HydrophobicContact CB-CE1 4.02Å; E417-Y476 HydrophobicContact CB-CE2 4.25Å; E417-Y476 HydrophobicContact CB-CG 4.08Å; E417-Y476 HydrophobicContact CG-CD1 3.94Å; E417-Y476 HydrophobicContact CG-CE1 4.08Å; E417-Y476 HydrophobicContact CG-CG 4.43Å
418Y96.3Very high94.1Very high0 Ų019 Ų190%010%0.101CC..BIsolated β-bridgetrans-99.6153.6-178.951.4-98.3000113.3Y359 R360 L365 V405 M409 F416 L422 L423 F471Y359-Y418 PolarHBondContact O-OH 2.87Å; R360-Y418 WeakPolarHBondContact O-CD1 3.42Å; R360-Y418 VanDerWaalsContact O-CE1 3.31Å; R360-Y418 WeakPolarHBondContact O-CE1 3.42Å; L365-Y418 HydrophobicContact CB-CD1 4.38Å; L365-Y418 HydrophobicContact CB-CE1 3.72Å; L365-Y418 HydrophobicContact CD2-CD1 4.43Å; L365-Y418 HydrophobicContact CD2-CD2 4.4Å; L365-Y418 HydrophobicContact CD2-CE1 3.99Å; L365-Y418 HydrophobicContact CD2-CE2 3.97Å; L365-Y418 HydrophobicContact CG-CE1 4.35Å; V405-Y418 HydrophobicContact CG1-CE2 3.85Å; V405-Y418 WeakPolarHBondContact CG1-OH 3.48Å; M409-Y418 HydrophobicContact CE-CD2 4.14Å; M409-Y418 HydrophobicContact CE-CE2 4.49Å; M409-Y418 WeakPolarHBondContact CE-O 3.46Å; M409-Y418 HydrophobicContact SD-CD2 3.9Å; M409-Y418 HydrophobicContact SD-CE2 3.68Å; F416-Y418 HydrophobicContact CB-CE2 4.44Å; F416-Y418 HydrophobicContact CD1-CE1 4.25Å; F416-Y418 AromaticContact CD1-CE2 3.84Å; F416-Y418 HydrophobicContact CD1-CE2 3.84Å; F416-Y418 AromaticContact CD1-CZ 3.58Å; F416-Y418 WeakPolarHBondContact CD1-OH 3.48Å; F416-Y418 PolarHBondContact O-N 3.23Å; Y418-L422 HydrophobicContact CD1-CD2 4.03Å; Y418-L422 HydrophobicContact CD2-CD2 3.99Å; Y418-L422 HydrophobicContact CG-CD2 3.54Å; Y418-L423 HydrophobicContact CD2-CD2 4.39Å; Y418-L423 HydrophobicContact CE2-CD2 4.09Å; Y418-F471 CarbonylContact C-O 3.51Å; Y418-F471 WeakPolarHBondContact CA-O 3.38Å
419N94.3Very high94.2Very high4 Ų420.1 Ų20.12%0.02111%0.107CC..  trans-100.6176.117966.226000112.7M409 N421 L422 E470 F471 I472 N473M409-N419 VanDerWaalsContact CE-C 3.46Å; N419-N421 PolarHBondContact O-N 3.24Å; N419-N421 VanDerWaalsContact OD1-CB 3.3Å; N419-N421 WeakPolarHBondContact OD1-CB 3.35Å; N419-N421 PolarHBondContact OD1-N 3.05Å; N419-N421 VanDerWaalsContact OD1-N 3.12Å; N419-L422 WeakPolarHBondContact O-CB 3.42Å; N419-L422 PolarHBondContact O-N 3.44Å; N419-L422 PolarHBondContact OD1-N 2.7Å; N419-E470 PolarHBondContact ND2-O 3.31Å; N419-F471 VanDerWaalsContact CG-O 3.29Å; N419-F471 PolarHBondContact N-O 2.9Å; N419-F471 VanDerWaalsContact ND2-C 3.33Å; N419-F471 PolarHBondContact ND2-O 2.97Å; N419-F471 PolarHBondContact OD1-O 3.22Å; N419-I472 PolarHBondContact ND2-O 3.1Å; N419-N473 HydrophobicContact CB-CB 4.28Å
420E93.8Very high94.4Very high32 Ų3219.9 Ų19.915%0.1511%0.105CC..Hα-helixtrans-56.8-36.1179.9-172.5-177173.100112.9L422 L423 I424 W502 G504E420-L422 PolarHBondContact O-N 3.06Å; E420-L423 PolarHBondContact O-N 3.02Å; E420-L423 VanDerWaalsContact O-N 3.08Å; E420-I424 HydrophobicContact CG-CD1 3.71Å; E420-I424 HydrophobicContact CG-CG1 4.23Å; E420-I424 WeakPolarHBondContact O-CG1 3.49Å; E420-I424 PolarHBondContact O-N 3.31Å; E420-I424 VanDerWaalsContact O-N 3.07Å; E420-W502 HydrophobicContact CG-CZ2 4.31Å; E420-W502 PolarHBondContact OE1-NE1 2.92Å; E420-G504 VanDerWaalsContact OE1-CA 3.32Å; E420-G504 WeakPolarHBondContact OE1-CA 3.43Å
421N93.4Very high94.6Very high58 Ų5818.5 Ų18.531%0.3110%0.099SC..Hα-helixtrans-60.2-33.5-179.1-173.935.4000111.9N419 T425 F471N419-N421 PolarHBondContact O-N 3.24Å; N419-N421 VanDerWaalsContact OD1-CB 3.3Å; N419-N421 WeakPolarHBondContact OD1-CB 3.35Å; N419-N421 PolarHBondContact OD1-N 3.05Å; N419-N421 VanDerWaalsContact OD1-N 3.12Å; N421-T425 WeakPolarHBondContact O-CB 3.44Å; N421-T425 PolarHBondContact O-N 2.95Å; N421-T425 PolarHBondContact O-OG1 2.92Å; N421-T425 PolarHBondContact OD1-OG1 3.01Å; N421-F471 HydrophobicContact CB-CD1 4.43Å; N421-F471 WeakPolarHBondContact ND2-CE1 3.47Å
422L96.5Very high94.9Very high2 Ų217.1 Ų17.11%0.019%0.092CC..Hα-helixtrans-59.6-49.6173.5-176.570.5000111.5L362 L365 Y418 N419 E420 T425 V426 L464 F471L362-L422 HydrophobicContact CD1-CD1 3.63Å; L362-L422 HydrophobicContact CD1-CD2 3.47Å; L362-L422 VanDerWaalsContact CD1-CD2 3.47Å; L362-L422 HydrophobicContact CD1-CG 4.19Å; L365-L422 HydrophobicContact CD2-CD2 3.82Å; Y418-L422 HydrophobicContact CD1-CD2 4.03Å; Y418-L422 HydrophobicContact CD2-CD2 3.99Å; Y418-L422 HydrophobicContact CG-CD2 3.54Å; N419-L422 WeakPolarHBondContact O-CB 3.42Å; N419-L422 PolarHBondContact O-N 3.44Å; N419-L422 PolarHBondContact OD1-N 2.7Å; E420-L422 PolarHBondContact O-N 3.06Å; L422-T425 PolarHBondContact O-N 3.4Å; L422-V426 HydrophobicContact CD1-CG2 4.34Å; L422-V426 HydrophobicContact CG-CG2 4.34Å; L422-V426 WeakPolarHBondContact O-CB 3.3Å; L422-V426 WeakPolarHBondContact O-CG2 3.28Å; L422-V426 PolarHBondContact O-N 2.93Å; L422-L464 HydrophobicContact CD1-CD1 3.99Å; L422-L464 HydrophobicContact CD1-CD2 4.47Å; L422-F471 HydrophobicContact CB-CB 4.15Å; L422-F471 HydrophobicContact CB-CD1 4.15Å; L422-F471 HydrophobicContact CB-CG 4.34Å; L422-F471 HydrophobicContact CD1-CB 4.05Å; L422-F471 HydrophobicContact CD1-CD1 4.19Å; L422-F471 HydrophobicContact CD1-CD2 4.2Å; L422-F471 HydrophobicContact CD1-CG 3.87Å
423L97.4Very high95Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-65.4-42.8-176.8-56.2-177.5000111L365 L402 V405 W406 M409 Y418 E420 T425 V426 H427 W502L365-L423 HydrophobicContact CD2-CD2 3.77Å; L402-L423 HydrophobicContact CD2-CD2 4.19Å; V405-L423 HydrophobicContact CB-CD1 4.35Å; V405-L423 HydrophobicContact CG1-CD1 4.12Å; V405-L423 HydrophobicContact CG1-CD2 4.15Å; W406-L423 HydrophobicContact CB-CD1 3.83Å; M409-L423 HydrophobicContact SD-CD1 3.62Å; M409-L423 HydrophobicContact SD-CG 4.32Å; Y418-L423 HydrophobicContact CD2-CD2 4.39Å; Y418-L423 HydrophobicContact CE2-CD2 4.09Å; E420-L423 PolarHBondContact O-N 3.02Å; E420-L423 VanDerWaalsContact O-N 3.08Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.3Å; L423-V426 PolarHBondContact O-N 3.08Å; L423-H427 VanDerWaalsContact O-CB 3.27Å; L423-H427 WeakPolarHBondContact O-CB 3.35Å; L423-H427 PolarHBondContact O-N 3.49Å; L423-W502 HydrophobicContact CB-CH2 3.8Å; L423-W502 HydrophobicContact CB-CZ2 3.99Å; L423-W502 HydrophobicContact CD1-CH2 4.22Å; L423-W502 HydrophobicContact CD1-CZ2 4.38Å
424I95.3Very high95.1Very high28 Ų2815.1 Ų15.114%0.1448%0.079CC..Hα-helixtrans-58-40173.4-73.3175.8000111.4E420 S428 W502 G504 R508E420-I424 HydrophobicContact CG-CD1 3.71Å; E420-I424 HydrophobicContact CG-CG1 4.23Å; E420-I424 WeakPolarHBondContact O-CG1 3.49Å; E420-I424 PolarHBondContact O-N 3.31Å; E420-I424 VanDerWaalsContact O-N 3.07Å; I424-S428 WeakPolarHBondContact O-CB 3.44Å; I424-S428 PolarHBondContact O-N 3.37Å; I424-S428 PolarHBondContact O-OG 2.9Å; I424-W502 HydrophobicContact CG1-CZ2 4.1Å; I424-G504 WeakPolarHBondContact CD1-O 3.18Å; I424-R508 VanDerWaalsContact CG2-NH1 3.34Å
425T95.9Very high95.3Very high20 Ų2014.6 Ų14.612%0.1238%0.075CC..Hα-helixtrans-74.6-45.2-179.3-63.50000111.5N421 L422 L423 S428 H429 L464 F471N421-T425 WeakPolarHBondContact O-CB 3.44Å; N421-T425 PolarHBondContact O-N 2.95Å; N421-T425 PolarHBondContact O-OG1 2.92Å; N421-T425 PolarHBondContact OD1-OG1 3.01Å; L422-T425 PolarHBondContact O-N 3.4Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.3Å; T425-S428 PolarHBondContact O-N 3.33Å; T425-H429 PolarHBondContact O-CD2 2.87Å; T425-H429 PolarHBondContact O-N 3.11Å; T425-L464 HydrophobicContact CG2-CD2 3.63Å; T425-F471 HydrophobicContact CG2-CE1 4.16Å; T425-F471 HydrophobicContact CG2-CZ 4.04Å
426V97.4Very high95.2Very high2 Ų214.6 Ų14.61%0.0128%0.075CC..Hα-helixtrans-58.9-48.9173.8169.30000110.7I369 L402 L422 L423 S428 H429 I430 W461 L464I369-V426 HydrophobicContact CD1-CG1 4.21Å; L402-V426 HydrophobicContact CD1-CG1 4.45Å; L402-V426 HydrophobicContact CD2-CG1 4.39Å; L422-V426 HydrophobicContact CD1-CG2 4.34Å; L422-V426 HydrophobicContact CG-CG2 4.34Å; L422-V426 WeakPolarHBondContact O-CB 3.3Å; L422-V426 WeakPolarHBondContact O-CG2 3.28Å; L422-V426 PolarHBondContact O-N 2.93Å; L423-V426 PolarHBondContact O-N 3.08Å; V426-S428 VanDerWaalsContact C-N 3.35Å; V426-S428 PolarHBondContact O-N 3.27Å; V426-H429 PolarHBondContact O-N 2.74Å; V426-I430 HydrophobicContact CG1-CD1 3.96Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 2.99Å; V426-W461 HydrophobicContact CG2-CZ3 4.24Å; V426-L464 HydrophobicContact CG2-CD1 3.79Å
427H96.9Very high95Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-52.5-52.3173.4176.2-81.8000111.5F77 D399 L402 L423 H429 I430 Y431 L505F77-H427 AromaticContact CE2-CE1 3.34Å; F77-H427 WeakPolarHBondContact CE2-CE1 3.4Å; F77-H427 AromaticContact CE2-NE2 3.34Å; F77-H427 VanDerWaalsContact CE2-NE2 3.34Å; F77-H427 WeakPolarHBondContact CE2-NE2 3.39Å; F77-H427 AromaticContact CZ-CE1 3.75Å; F77-H427 AromaticContact CZ-NE2 3.5Å; F77-H427 WeakPolarHBondContact CZ-NE2 3.43Å; D399-H427 IonicContact OD1-CD2 3.22Å; D399-H427 IonicContact OD1-NE2 3.44Å; D399-H427 IonicContact OD2-NE2 2.61Å; L402-H427 HydrophobicContact CD1-CB 3.8Å; L423-H427 VanDerWaalsContact O-CB 3.27Å; L423-H427 WeakPolarHBondContact O-CB 3.35Å; L423-H427 PolarHBondContact O-N 3.49Å; H427-H429 VanDerWaalsContact C-N 3.29Å; H427-H429 PolarHBondContact O-N 2.56Å; H427-I430 PolarHBondContact O-N 2.83Å; H427-Y431 AromaticContact CD2-CE2 3.88Å; H427-Y431 AromaticContact CE1-CD2 3.78Å; H427-Y431 AromaticContact CE1-CE2 3.7Å; H427-Y431 AromaticContact NE2-CE2 3.48Å; H427-Y431 WeakPolarHBondContact NE2-CE2 3.24Å; H427-Y431 VanDerWaalsContact O-CD2 3.26Å; H427-Y431 WeakPolarHBondContact O-CD2 3.07Å; H427-Y431 PolarHBondContact O-N 2.87Å; H427-L505 HydrophobicContact CB-CD1 4.47Å
428S94.8Very high95Very high21 Ų2112.3 Ų12.315%0.1476%0.064CC..Hα-helixtrans-61.3-38.7-178.9-55.50000111.8I424 T425 V426 S432 R508I424-S428 WeakPolarHBondContact O-CB 3.44Å; I424-S428 PolarHBondContact O-N 3.37Å; I424-S428 PolarHBondContact O-OG 2.9Å; T425-S428 PolarHBondContact O-N 3.33Å; V426-S428 VanDerWaalsContact C-N 3.35Å; V426-S428 PolarHBondContact O-N 3.27Å; S428-S432 VanDerWaalsContact O-CB 3.28Å; S428-S432 WeakPolarHBondContact O-CB 3.33Å; S428-S432 PolarHBondContact O-N 2.62Å; S428-R508 PolarHBondContact OG-NH1 3.34Å; S428-R508 VanDerWaalsContact OG-NH1 3.14Å; S428-R508 PolarHBondContact OG-NH2 3.28Å
429H96Very high94.8Very high25 Ų2512.3 Ų12.312%0.1167%0.065CC..Hα-helixtrans-76.9-29.2-179.6-76.5-52.2000115T425 V426 H427 S432 Q434 F435 L460 Y463T425-H429 PolarHBondContact O-CD2 2.87Å; T425-H429 PolarHBondContact O-N 3.11Å; V426-H429 PolarHBondContact O-N 2.74Å; H427-H429 VanDerWaalsContact C-N 3.29Å; H427-H429 PolarHBondContact O-N 2.56Å; H429-S432 VanDerWaalsContact CA-OG 3.3Å; H429-S432 WeakPolarHBondContact CA-OG 3.32Å; H429-S432 PolarHBondContact ND1-OG 3.02Å; H429-S432 PolarHBondContact O-N 2.8Å; H429-S432 PolarHBondContact O-OG 3.14Å; H429-Q434 PolarHBondContact CE1-OE1 3.36Å; H429-Q434 VanDerWaalsContact CE1-OE1 3.25Å; H429-F435 HydrophobicContact CB-CD2 4.26Å; H429-F435 AromaticContact CE1-CE2 3.71Å; H429-F435 AromaticContact CG-CD2 3.97Å; H429-F435 AromaticContact CG-CE2 3.91Å; H429-F435 AromaticContact ND1-CD2 3.84Å; H429-F435 AromaticContact ND1-CE2 3.63Å; H429-L460 HydrophobicContact CB-CD1 3.83Å; H429-L460 HydrophobicContact CB-CD2 3.89Å; H429-Y463 AromaticContact NE2-CE1 3.91Å
430I96.3Very high94.8Very high2 Ų212.1 Ų12.11%0.016%0.064CC..Hα-helixtrans-52.5-57.1168.5-70.7159.5000109.3F380 C384 H386 V398 L402 V426 H427 S432 F438F380-I430 HydrophobicContact CD1-CG2 4.13Å; F380-I430 HydrophobicContact CE1-CG2 4.36Å; C384-I430 HydrophobicContact CB-CG2 4.4Å; H386-I430 PolarHBondContact NE2-O 3.34Å; H386-I430 VanDerWaalsContact NE2-O 3.11Å; V398-I430 HydrophobicContact CG1-CD1 4.26Å; V398-I430 HydrophobicContact CG1-CG2 4.42Å; V398-I430 HydrophobicContact CG2-CD1 3.81Å; L402-I430 HydrophobicContact CD1-CD1 4.33Å; V426-I430 HydrophobicContact CG1-CD1 3.96Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 2.99Å; H427-I430 PolarHBondContact O-N 2.83Å; I430-S432 PolarHBondContact O-N 2.82Å; I430-F438 HydrophobicContact CB-CD2 4.13Å; I430-F438 HydrophobicContact CB-CE2 4.47Å; I430-F438 HydrophobicContact CB-CG 4.37Å; I430-F438 HydrophobicContact CD1-CZ 4.41Å; I430-F438 HydrophobicContact CG1-CD1 4.04Å; I430-F438 HydrophobicContact CG1-CD2 3.54Å; I430-F438 HydrophobicContact CG1-CE1 4.02Å; I430-F438 HydrophobicContact CG1-CE2 3.49Å; I430-F438 VanDerWaalsContact CG1-CE2 3.49Å; I430-F438 HydrophobicContact CG1-CG 3.8Å; I430-F438 HydrophobicContact CG1-CZ 3.75Å; I430-F438 HydrophobicContact CG2-CG 4.47Å
431Y95.4Very high94.8Very high14 Ų1411.4 Ų11.46%0.0556%0.061CC..Hα-helixtrans-73-28-177.9-65.8-70.8000114.1K75 C384 D399 H427 C433K75-Y431 HydrophobicContact CB-CD1 3.75Å; K75-Y431 HydrophobicContact CB-CE1 4.46Å; K75-Y431 HydrophobicContact CB-CG 3.82Å; K75-Y431 HydrophobicContact CD-CD1 3.9Å; K75-Y431 HydrophobicContact CD-CG 4.49Å; K75-Y431 HydrophobicContact CG-CD1 4.31Å; C384-Y431 HydrophobicContact CB-CD1 3.78Å; C384-Y431 HydrophobicContact CB-CE1 3.48Å; C384-Y431 VanDerWaalsContact CB-CE1 3.48Å; D399-Y431 VanDerWaalsContact CG-OH 3.28Å; D399-Y431 WeakPolarHBondContact OD1-CE2 3.23Å; D399-Y431 PolarHBondContact OD1-OH 2.77Å; D399-Y431 PolarHBondContact OD2-OH 2.98Å; H427-Y431 AromaticContact CD2-CE2 3.88Å; H427-Y431 AromaticContact CE1-CD2 3.78Å; H427-Y431 AromaticContact CE1-CE2 3.7Å; H427-Y431 AromaticContact NE2-CE2 3.48Å; H427-Y431 WeakPolarHBondContact NE2-CE2 3.24Å; H427-Y431 VanDerWaalsContact O-CD2 3.26Å; H427-Y431 WeakPolarHBondContact O-CD2 3.07Å; H427-Y431 PolarHBondContact O-N 2.87Å; Y431-C433 PolarHBondContact O-N 3.26Å
432S93.9Very high94.8Very high3 Ų39.7 Ų9.72%0.0215%0.051CC..Hα-helixtrans-62.6-24.7-177.173.40000114.4S53 S428 H429 I430 Q434S53-S432 VanDerWaalsContact CB-O 3.29Å; S53-S432 WeakPolarHBondContact CB-O 3.31Å; S53-S432 PolarHBondContact OG-O 2.77Å; S428-S432 VanDerWaalsContact O-CB 3.28Å; S428-S432 WeakPolarHBondContact O-CB 3.33Å; S428-S432 PolarHBondContact O-N 2.62Å; H429-S432 VanDerWaalsContact CA-OG 3.3Å; H429-S432 WeakPolarHBondContact CA-OG 3.32Å; H429-S432 PolarHBondContact ND1-OG 3.02Å; H429-S432 PolarHBondContact O-N 2.8Å; H429-S432 PolarHBondContact O-OG 3.14Å; I430-S432 PolarHBondContact O-N 2.82Å; S432-Q434 PolarHBondContact O-N 2.88Å; S432-Q434 VanDerWaalsContact O-N 3.08Å; S432-Q434 WeakPolarHBondContact OG-CB 3.39Å; S432-Q434 PolarHBondContact OG-N 3.07Å
433C93.6Very high94.6Very high2 Ų211.3 Ų11.31%0.0146%0.059CC..THydrogen-bonded Turntrans49.129.1-168-57.20000113.6L109 C111 H386 Y431 I439L109-C433 HydrophobicContact CB-CB 4.49Å; L109-C433 HydrophobicContact CD2-CB 4.32Å; C111-C433 WeakPolarHBondContact CA-O 3.22Å; C111-C433 WeakPolarHBondContact CB-O 3.48Å; C111-C433 PolarHBondContact N-O 3.1Å; H386-C433 VanDerWaalsContact CD2-SG 3.53Å; H386-C433 VanDerWaalsContact CG-SG 3.57Å; Y431-C433 PolarHBondContact O-N 3.26Å; C433-I439 HydrophobicContact CB-CD1 4.15Å
434Q93.3Very high94.4Very high31 Ų3115.8 Ų15.815%0.1458%0.076CC..  trans-78.4-32177179.71742.300112.4Y110 C111 Y114 H429 S432Y110-Q434 HydrophobicContact CD1-CB 3.79Å; Y110-Q434 HydrophobicContact CD1-CG 4.01Å; Y110-Q434 HydrophobicContact CE1-CB 3.94Å; Y110-Q434 HydrophobicContact CE1-CG 3.66Å; C111-Q434 WeakPolarHBondContact CA-O 3.44Å; C111-Q434 WeakPolarHBondContact CB-O 3.46Å; Y114-Q434 HydrophobicContact CD1-CG 4.02Å; Y114-Q434 HydrophobicContact CD2-CG 4.32Å; Y114-Q434 HydrophobicContact CE1-CG 4.17Å; Y114-Q434 HydrophobicContact CE2-CG 4.47Å; Y114-Q434 HydrophobicContact CG-CG 4.11Å; H429-Q434 PolarHBondContact CE1-OE1 3.36Å; H429-Q434 VanDerWaalsContact CE1-OE1 3.25Å; S432-Q434 PolarHBondContact O-N 2.88Å; S432-Q434 VanDerWaalsContact O-N 3.08Å; S432-Q434 WeakPolarHBondContact OG-CB 3.39Å; S432-Q434 PolarHBondContact OG-N 3.07Å
435F93.8Very high94.2Very high8 Ų816.3 Ų16.34%0.0358%0.078CC..SBendtrans-113.7157.2179.1-61.8-79.6000110.9Y114 H429 N437 H458 L460 Y463Y114-F435 HydrophobicContact CE1-CE1 4.12Å; H429-F435 HydrophobicContact CB-CD2 4.26Å; H429-F435 AromaticContact CE1-CE2 3.71Å; H429-F435 AromaticContact CG-CD2 3.97Å; H429-F435 AromaticContact CG-CE2 3.91Å; H429-F435 AromaticContact ND1-CD2 3.84Å; H429-F435 AromaticContact ND1-CE2 3.63Å; F435-N437 PolarHBondContact O-N 3.36Å; F435-H458 WeakPolarHBondContact CA-O 3.33Å; F435-H458 WeakPolarHBondContact CB-O 3.23Å; F435-H458 HydrophobicContact CD1-CB 4.13Å; F435-H458 HydrophobicContact CE1-CB 4.44Å; F435-L460 HydrophobicContact CB-CB 3.9Å; F435-L460 HydrophobicContact CD1-CB 4.36Å; F435-L460 HydrophobicContact CD2-CB 3.95Å; F435-L460 HydrophobicContact CD2-CD1 3.63Å; F435-L460 HydrophobicContact CD2-CG 4.35Å; F435-L460 HydrophobicContact CE2-CD1 3.6Å; F435-L460 HydrophobicContact CG-CB 3.82Å; F435-L460 HydrophobicContact CG-CD1 4.34Å; F435-L460 HydrophobicContact CZ-CD1 4.31Å; F435-Y463 HydrophobicContact CE1-CG 4.47Å; F435-Y463 HydrophobicContact CE2-CD1 4.28Å; F435-Y463 AromaticContact CZ-CD1 3.94Å; F435-Y463 HydrophobicContact CZ-CD1 3.94Å; F435-Y463 HydrophobicContact CZ-CD2 4.4Å; F435-Y463 AromaticContact CZ-CG 3.79Å; F435-Y463 HydrophobicContact CZ-CG 3.79Å
436G92.4Very high93.8Very high2 Ų216.2 Ų16.22%0.0218%0.075CC..G310 helixtrans-76.3-15.6-175.700000115.3F438 I439 T457 H458G436-F438 PolarHBondContact O-N 3.12Å; G436-I439 PolarHBondContact O-N 3.16Å; G436-I439 VanDerWaalsContact O-N 3.14Å; G436-T457 WeakPolarHBondContact CA-OG1 3.38Å; G436-H458 PolarHBondContact N-O 2.75Å
437N93.3Very high93.2Very high2 Ų220.9 Ų20.91%0.0119%0.093CC..G310 helixtrans-63.7-16.9-165.3-60.278.2000115.4W127 E370 V374 F435 R446 S459 L460 W461W127-N437 WeakPolarHBondContact CZ3-ND2 3.37Å; E370-N437 PolarHBondContact OE1-ND2 3.09Å; V374-N437 WeakPolarHBondContact CG2-O 3.27Å; F435-N437 PolarHBondContact O-N 3.36Å; N437-R446 PolarHBondContact O-NH1 2.94Å; N437-S459 WeakPolarHBondContact OD1-CA 3.31Å; N437-L460 PolarHBondContact OD1-N 3.35Å; N437-W461 PolarHBondContact ND2-NE1 3.05Å; N437-W461 VanDerWaalsContact ND2-NE1 3.16Å
438F95.1Very high92.6Very high2 Ų226.8 Ų26.81%0.00912%0.12CC..G310 helixtrans-120.613.6-178.6-52.9-66.2000112.9I369 V374 F380 H386 I430 G436 L460 W461I369-F438 HydrophobicContact CG2-CE1 3.76Å; I369-F438 HydrophobicContact CG2-CZ 4.23Å; V374-F438 HydrophobicContact CG2-CD1 4.37Å; V374-F438 HydrophobicContact CG2-CE1 4.38Å; F380-F438 HydrophobicContact CB-CB 4.34Å; F380-F438 WeakPolarHBondContact CB-O 3.31Å; F380-F438 HydrophobicContact CD1-CB 4.06Å; F380-F438 AromaticContact CD1-CD1 3.89Å; F380-F438 HydrophobicContact CD1-CD1 3.89Å; F380-F438 HydrophobicContact CD1-CG 4.31Å; F380-F438 HydrophobicContact CD2-CD1 4.31Å; F380-F438 AromaticContact CE1-CD1 3.55Å; F380-F438 HydrophobicContact CE1-CD1 3.55Å; F380-F438 HydrophobicContact CE1-CE1 4.13Å; F380-F438 HydrophobicContact CE1-CG 4.33Å; F380-F438 HydrophobicContact CE2-CD1 4.01Å; F380-F438 HydrophobicContact CG-CB 4.16Å; F380-F438 HydrophobicContact CG-CD1 4.25Å; F380-F438 AromaticContact CZ-CD1 3.61Å; F380-F438 HydrophobicContact CZ-CD1 3.61Å; F380-F438 AromaticContact CZ-CE1 3.98Å; F380-F438 HydrophobicContact CZ-CE1 3.98Å; H386-F438 PolarHBondContact CE1-O 3.06Å; H386-F438 PolarHBondContact ND1-O 2.8Å; I430-F438 HydrophobicContact CB-CD2 4.13Å; I430-F438 HydrophobicContact CB-CE2 4.47Å; I430-F438 HydrophobicContact CB-CG 4.37Å; I430-F438 HydrophobicContact CD1-CZ 4.41Å; I430-F438 HydrophobicContact CG1-CD1 4.04Å; I430-F438 HydrophobicContact CG1-CD2 3.54Å; I430-F438 HydrophobicContact CG1-CE1 4.02Å; I430-F438 HydrophobicContact CG1-CE2 3.49Å; I430-F438 VanDerWaalsContact CG1-CE2 3.49Å; I430-F438 HydrophobicContact CG1-CG 3.8Å; I430-F438 HydrophobicContact CG1-CZ 3.75Å; I430-F438 HydrophobicContact CG2-CG 4.47Å; G436-F438 PolarHBondContact O-N 3.12Å; F438-L460 HydrophobicContact CE2-CD2 3.7Å; F438-L460 HydrophobicContact CZ-CD2 4.31Å; F438-W461 HydrophobicContact CE1-CZ2 4.47Å; F438-W461 AromaticContact CZ-CH2 3.83Å; F438-W461 HydrophobicContact CZ-CH2 3.83Å; F438-W461 AromaticContact CZ-CZ2 3.9Å; F438-W461 HydrophobicContact CZ-CZ2 3.9Å
439I92.7Very high91.8Very high1 Ų127.3 Ų27.31%0.00512%0.121CC..  trans-88.6133.1177.6-51.9-46.6000109.4Y106 L109 C433 G436 R446Y106-I439 HydrophobicContact CD1-CG2 3.34Å; Y106-I439 HydrophobicContact CE1-CG2 3.49Å; Y106-I439 VanDerWaalsContact CE1-CG2 3.49Å; Y106-I439 HydrophobicContact CG-CG2 4.33Å; L109-I439 HydrophobicContact CD1-CD1 3.78Å; L109-I439 HydrophobicContact CD1-CG1 4.34Å; L109-I439 HydrophobicContact CD1-CG2 3.93Å; C433-I439 HydrophobicContact CB-CD1 4.15Å; G436-I439 PolarHBondContact O-N 3.16Å; G436-I439 VanDerWaalsContact O-N 3.14Å; I439-R446 VanDerWaalsContact O-CG 3.23Å; I439-R446 WeakPolarHBondContact O-CG 3.37Å; I439-R446 PolarHBondContact O-NE 3.35Å
440G92.8Very high90.3Very high0 Ų032.7 Ų32.70%014%0.141CC..SBendtrans86.3154.5-175.900000113.5T381 R446T381-G440 VanDerWaalsContact OG1-CA 3.31Å; T381-G440 WeakPolarHBondContact OG1-CA 3.26Å; T381-G440 PolarHBondContact OG1-N 2.86Å; G440-R446 PolarHBondContact O-NE 3.39Å; G440-R446 PolarHBondContact O-NH2 3.11Å
441N95Very high88.6Confident16 Ų1640.1 Ų40.19%0.08617%0.173CC..SBendtrans-94.3-14-171-57.2-78.5000113.7G377 H378 K379 T381 Q382 E445G377-N441 CarbonylContact C-O 3.52Å; G377-N441 WeakPolarHBondContact CA-O 3.43Å; H378-N441 CarbonylContact C-O 3.52Å; K379-N441 HydrophobicContact CB-CB 4.23Å; K379-N441 HydrophobicContact CG-CB 4.26Å; T381-N441 WeakPolarHBondContact CB-OD1 3.4Å; Q382-N441 WeakPolarHBondContact CG-OD1 3.13Å; Q382-N441 PolarHBondContact N-OD1 2.82Å; N441-E445 WeakPolarHBondContact CB-OE2 3.47Å; N441-E445 PolarHBondContact N-OE2 3.39Å; N441-E445 PolarHBondContact ND2-OE2 3.06Å
442N93.4Very high87Confident22 Ų2240.1 Ų40.112%0.11818%0.175CC..SBendtrans-156.6170177.659.862.8000111.9D159 T160 R444 E445 R446D159-N442 PolarHBondContact O-OD1 2.84Å; T160-N442 HydrophobicContact CG2-CB 4.36Å; N442-R444 VanDerWaalsContact C-N 3.3Å; N442-R444 PolarHBondContact O-N 2.73Å; N442-R444 WeakPolarHBondContact OD1-CA 3.24Å; N442-R444 WeakPolarHBondContact OD1-CB 3.38Å; N442-R444 PolarHBondContact OD1-N 2.76Å; N442-E445 WeakPolarHBondContact OD1-CB 3.44Å; N442-E445 PolarHBondContact OD1-N 3.42Å; N442-R446 WeakPolarHBondContact O-CD 3.39Å; N442-R446 WeakPolarHBondContact O-CG 3.4Å; N442-R446 PolarHBondContact O-N 2.99Å
443Q92.5Very high86Confident37 Ų3740.1 Ų40.117%0.17317%0.174CC..Hα-helixtrans-64.6-31.9-179.5-164.9-171.967.300112.8Y155 P162 R446 R447Y155-Q443 HydrophobicContact CE1-CB 4.38Å; Y155-Q443 PolarHBondContact OH-OE1 2.8Å; P162-Q443 VanDerWaalsContact CA-OE1 3.29Å; Q443-R446 PolarHBondContact O-N 2.89Å; Q443-R447 WeakPolarHBondContact O-CG 3.5Å; Q443-R447 PolarHBondContact O-N 2.81Å
444R92.2Very high85.1Confident93 Ų9343 Ų4335%0.35119%0.188SC..Hα-helixtrans-65.4-52.1179.6-180-171.1166.9174.2-7.4111.5Y155 N442 R446 R447 E448Y155-R444 HydrophobicContact CD1-CB 3.8Å; Y155-R444 HydrophobicContact CD1-CG 4.42Å; Y155-R444 HydrophobicContact CD2-CB 3.82Å; Y155-R444 HydrophobicContact CD2-CG 3.67Å; Y155-R444 HydrophobicContact CE1-CB 3.98Å; Y155-R444 HydrophobicContact CE2-CB 4Å; Y155-R444 HydrophobicContact CE2-CG 4.16Å; Y155-R444 HydrophobicContact CG-CB 3.71Å; Y155-R444 HydrophobicContact CG-CG 3.81Å; N442-R444 VanDerWaalsContact C-N 3.3Å; N442-R444 PolarHBondContact O-N 2.73Å; N442-R444 WeakPolarHBondContact OD1-CA 3.24Å; N442-R444 WeakPolarHBondContact OD1-CB 3.38Å; N442-R444 PolarHBondContact OD1-N 2.76Å; R444-R446 PolarHBondContact O-N 2.84Å; R444-R447 CarbonylContact O-C 3.32Å; R444-R447 WeakPolarHBondContact O-CA 3.45Å; R444-R447 WeakPolarHBondContact O-CB 3.27Å; R444-R447 PolarHBondContact O-N 2.83Å; R444-E448 IonicContact CZ-OE1 3.22Å; R444-E448 VanDerWaalsContact CZ-OE1 3.31Å; R444-E448 IonicContact NE-OE1 2.65Å; R444-E448 PolarHBondContact NE-OE1 3.18Å; R444-E448 IonicContact NH2-OE1 3.57Å; R444-E448 PolarHBondContact NH2-OE1 2.8Å; R444-E448 PolarHBondContact O-N 2.78Å
445E90.6Very high84.4Confident40 Ų4046.4 Ų46.419%0.18720%0.203CC..Hα-helixtrans-54.8-43.2176.8-176.4177.9-171.800110.4Y106 N441 N442 R447 E448 L449Y106-E445 VanDerWaalsContact CE2-OE1 3.26Å; Y106-E445 WeakPolarHBondContact CE2-OE1 3.42Å; Y106-E445 VanDerWaalsContact CZ-OE1 3.27Å; Y106-E445 PolarHBondContact OH-OE1 2.84Å; N441-E445 WeakPolarHBondContact CB-OE2 3.47Å; N441-E445 PolarHBondContact N-OE2 3.39Å; N441-E445 PolarHBondContact ND2-OE2 3.06Å; N442-E445 WeakPolarHBondContact OD1-CB 3.44Å; N442-E445 PolarHBondContact OD1-N 3.42Å; E445-R447 VanDerWaalsContact C-N 3.3Å; E445-R447 PolarHBondContact O-N 3.32Å; E445-E448 PolarHBondContact O-N 3.43Å; E445-L449 HydrophobicContact CG-CD1 4.07Å; E445-L449 VanDerWaalsContact O-CB 3.31Å; E445-L449 WeakPolarHBondContact O-CB 3.47Å; E445-L449 VanDerWaalsContact O-CG 3.24Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.19Å
446R88.3Confident83.8Confident18 Ų1851.9 Ų51.97%0.06823%0.227CC..Hα-helixtrans-66.2-27.2175-65.1166.9-168.5-132.6-2114N437 I439 G440 N442 Q443 R444 L449 R450N437-R446 PolarHBondContact O-NH1 2.94Å; I439-R446 VanDerWaalsContact O-CG 3.23Å; I439-R446 WeakPolarHBondContact O-CG 3.37Å; I439-R446 PolarHBondContact O-NE 3.35Å; G440-R446 PolarHBondContact O-NE 3.39Å; G440-R446 PolarHBondContact O-NH2 3.11Å; N442-R446 WeakPolarHBondContact O-CD 3.39Å; N442-R446 WeakPolarHBondContact O-CG 3.4Å; N442-R446 PolarHBondContact O-N 2.99Å; Q443-R446 PolarHBondContact O-N 2.89Å; R444-R446 PolarHBondContact O-N 2.84Å; R446-L449 CarbonylContact O-C 3.58Å; R446-R450 WeakPolarHBondContact O-CA 3.4Å; R446-R450 PolarHBondContact O-N 3.16Å; R446-R450 VanDerWaalsContact O-N 3.13Å
447R84.6Confident83.7Confident99 Ų9951.8 Ų51.837%0.37423%0.226SC..Hα-helixtrans-80.3-35.5173.9-78.8-166.8-173.2175.14.2112.6Y155 A163 Q443 R444 E445 R450Y155-R447 WeakPolarHBondContact OH-CD 3.35Å; Y155-R447 PolarHBondContact OH-NE 3.43Å; Y155-R447 PolarHBondContact OH-NH1 3.26Å; A163-R447 VanDerWaalsContact CB-NH1 3.3Å; Q443-R447 WeakPolarHBondContact O-CG 3.5Å; Q443-R447 PolarHBondContact O-N 2.81Å; R444-R447 CarbonylContact O-C 3.32Å; R444-R447 WeakPolarHBondContact O-CA 3.45Å; R444-R447 WeakPolarHBondContact O-CB 3.27Å; R444-R447 PolarHBondContact O-N 2.83Å; E445-R447 VanDerWaalsContact C-N 3.3Å; E445-R447 PolarHBondContact O-N 3.32Å; R447-R450 WeakPolarHBondContact O-CB 3.35Å; R447-R450 PolarHBondContact O-N 2.92Å; R447-R450 VanDerWaalsContact O-N 3.11Å
448E84.6Confident83.5Confident125 Ų12552.1 Ų52.158%0.58423%0.228SC*.Hα-helixtrans-66.2-42.6171.6-69.5169172.700109.6R444 E445 R450R444-E448 IonicContact CZ-OE1 3.22Å; R444-E448 VanDerWaalsContact CZ-OE1 3.31Å; R444-E448 IonicContact NE-OE1 2.65Å; R444-E448 PolarHBondContact NE-OE1 3.18Å; R444-E448 IonicContact NH2-OE1 3.57Å; R444-E448 PolarHBondContact NH2-OE1 2.8Å; R444-E448 PolarHBondContact O-N 2.78Å; E445-E448 PolarHBondContact O-N 3.43Å; E448-R450 PolarHBondContact O-N 3.14Å
449L78.4Confident83.4Confident32 Ų3252.2 Ų52.217%0.16823%0.229CC..THydrogen-bonded Turntrans-75.28.4168.6-61.2171.1000114Y106 E445 R446 K451 S452 V453Y106-L449 HydrophobicContact CD2-CD1 3.68Å; Y106-L449 HydrophobicContact CD2-CD2 4.21Å; Y106-L449 HydrophobicContact CE2-CD1 3.79Å; Y106-L449 HydrophobicContact CG-CD1 4.13Å; E445-L449 HydrophobicContact CG-CD1 4.07Å; E445-L449 VanDerWaalsContact O-CB 3.31Å; E445-L449 WeakPolarHBondContact O-CB 3.47Å; E445-L449 VanDerWaalsContact O-CG 3.24Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.19Å; R446-L449 CarbonylContact O-C 3.58Å; L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.42Å; L449-S452 CarbonylContact O-C 3.56Å; L449-S452 WeakPolarHBondContact O-CA 3.42Å; L449-S452 PolarHBondContact O-N 3.16Å; L449-S452 PolarHBondContact O-OG 3.02Å; L449-V453 HydrophobicContact CB-CG2 3.86Å; L449-V453 PolarHBondContact O-N 3.2Å
450R63.5Low83.5Confident138 Ų13852.1 Ų52.152%0.52123%0.228SC..Hα-helixtrans-60.2-39.7-169.9-173.2172.2-176.4170.51.7113.6R446 R447 E448 S452 V453 H454R446-R450 WeakPolarHBondContact O-CA 3.4Å; R446-R450 PolarHBondContact O-N 3.16Å; R446-R450 VanDerWaalsContact O-N 3.13Å; R447-R450 WeakPolarHBondContact O-CB 3.35Å; R447-R450 PolarHBondContact O-N 2.92Å; R447-R450 VanDerWaalsContact O-N 3.11Å; E448-R450 PolarHBondContact O-N 3.14Å; R450-S452 PolarHBondContact O-N 3.25Å; R450-V453 PolarHBondContact O-N 3.42Å; R450-H454 HydrophobicContact CG-CB 4.15Å; R450-H454 PolarHBondContact O-N 2.82Å
451K60.6Low83.7Confident158 Ų15852.3 Ų52.369%0.68723%0.229SC*.Hα-helixtrans-67.6-11.7175.8-67.8-172.4175.9-1750114L449 E455 K456L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.42Å; K451-E455 WeakPolarHBondContact CA-OE2 3.45Å; K451-K456 WeakPolarHBondContact O-CE 3.4Å
452S62.4Low83.5Confident13 Ų1352.6 Ų52.69%0.09123%0.232CC..Hα-helixtrans-103.2-50.9168.764.30000110.5L449 R450 K456L449-S452 CarbonylContact O-C 3.56Å; L449-S452 WeakPolarHBondContact O-CA 3.42Å; L449-S452 PolarHBondContact O-N 3.16Å; L449-S452 PolarHBondContact O-OG 3.02Å; R450-S452 PolarHBondContact O-N 3.25Å; S452-K456 WeakPolarHBondContact O-CA 3.44Å; S452-K456 WeakPolarHBondContact O-CB 3.33Å; S452-K456 WeakPolarHBondContact O-CG 3.41Å; S452-K456 PolarHBondContact O-N 2.83Å
453V73.4Confident83.4Confident3 Ų355.9 Ų55.92%0.01824%0.243CC..Hα-helixtrans-70.2-59.4-173.2177.10000112.8F112 W127 L449 R450 E455 T457F112-V453 HydrophobicContact CE1-CG2 4.44Å; F112-V453 HydrophobicContact CZ-CG2 4.05Å; W127-V453 HydrophobicContact CH2-CG1 4.39Å; W127-V453 HydrophobicContact CZ2-CG1 4.39Å; L449-V453 HydrophobicContact CB-CG2 3.86Å; L449-V453 PolarHBondContact O-N 3.2Å; R450-V453 PolarHBondContact O-N 3.42Å; V453-E455 VanDerWaalsContact C-N 3.35Å; V453-E455 PolarHBondContact O-N 3.33Å; V453-T457 WeakPolarHBondContact O-CA 3.43Å; V453-T457 WeakPolarHBondContact O-CB 3.43Å; V453-T457 PolarHBondContact O-N 2.94Å; V453-T457 PolarHBondContact O-OG1 3.36Å
454H74.6Confident83.5Confident64 Ų6454.1 Ų54.130%0.29624%0.235SC..Hα-helixtrans-74.7-29.6-172.9-69.658.7000112.1W127 R450W127-H454 PolarHBondContact NE1-O 3.24Å; R450-H454 HydrophobicContact CG-CB 4.15Å; R450-H454 PolarHBondContact O-N 2.82Å
455E78.4Confident83.6Confident101 Ų10153.9 Ų53.947%0.47223%0.234SC..Hα-helixtrans-85.4-32.3-179-70.8168.3-160.100112.6R123 K451 V453R123-E455 PolarHBondContact NH1-O 2.95Å; K451-E455 WeakPolarHBondContact CA-OE2 3.45Å; V453-E455 VanDerWaalsContact C-N 3.35Å; V453-E455 PolarHBondContact O-N 3.33Å
456K82.1Confident83.7Confident123 Ų12356.4 Ų56.454%0.53525%0.253SS..Hα-helixtrans-116.7-1.7-173.4-41178.2-177.1177.80115.4F112 K451 S452F112-K456 HydrophobicContact CD1-CB 4.32Å; K451-K456 WeakPolarHBondContact O-CE 3.4Å; S452-K456 WeakPolarHBondContact O-CA 3.44Å; S452-K456 WeakPolarHBondContact O-CB 3.33Å; S452-K456 WeakPolarHBondContact O-CG 3.41Å; S452-K456 PolarHBondContact O-N 2.83Å
457T88.6Confident83.9Confident0 Ų057.9 Ų57.90%026%0.262CS..SBendtrans-127.5165.8176.881.60000111.1C111 F112 W127 G436 V453C111-T457 HydrophobicContact CB-CG2 3.99Å; C111-T457 WeakPolarHBondContact O-CG2 3.2Å; F112-T457 HydrophobicContact CD1-CG2 3.51Å; F112-T457 HydrophobicContact CD2-CG2 4.41Å; F112-T457 HydrophobicContact CE1-CG2 3.48Å; F112-T457 VanDerWaalsContact CE1-CG2 3.48Å; F112-T457 HydrophobicContact CE2-CG2 4.39Å; F112-T457 HydrophobicContact CG-CG2 4.01Å; F112-T457 HydrophobicContact CZ-CG2 3.97Å; W127-T457 WeakPolarHBondContact CZ2-OG1 3.24Å; W127-T457 PolarHBondContact NE1-O 2.89Å; G436-T457 WeakPolarHBondContact CA-OG1 3.38Å; V453-T457 WeakPolarHBondContact O-CA 3.43Å; V453-T457 WeakPolarHBondContact O-CB 3.43Å; V453-T457 PolarHBondContact O-N 2.94Å; V453-T457 PolarHBondContact O-OG1 3.36Å
458H90.8Very high84.4Confident9 Ų958.6 Ų58.64%0.04227%0.265CS..  trans-110156.3-173.7-66.2-93.3000112.2P116 R123 W127 F435 G436P116-H458 WeakPolarHBondContact CD-NE2 3.26Å; P116-H458 VanDerWaalsContact CG-CE1 3.45Å; P116-H458 WeakPolarHBondContact CG-CE1 3.18Å; R123-H458 PolarHBondContact NE-CE1 3.25Å; W127-H458 VanDerWaalsContact CZ2-C 3.46Å; W127-H458 WeakPolarHBondContact CZ2-O 3.46Å; F435-H458 WeakPolarHBondContact CA-O 3.33Å; F435-H458 WeakPolarHBondContact CB-O 3.23Å; F435-H458 HydrophobicContact CD1-CB 4.13Å; F435-H458 HydrophobicContact CE1-CB 4.44Å; G436-H458 PolarHBondContact N-O 2.75Å
459S92.8Very high84.7Confident4 Ų456.6 Ų56.63%0.02827%0.269CS..  trans-89.5126.7179.3-177.10000111.3D126 N437 W461D126-S459 WeakPolarHBondContact O-CB 3.49Å; D126-S459 PolarHBondContact O-OG 3.25Å; N437-S459 WeakPolarHBondContact OD1-CA 3.31Å; S459-W461 PolarHBondContact O-N 2.82Å
460L95.1Very high85.3Confident0 Ų060 Ų600%028%0.284CS..Hα-helixtrans-58.2-36.3174.1173.762.3000111.7H429 F435 N437 F438 S462 Y463 L464H429-L460 HydrophobicContact CB-CD1 3.83Å; H429-L460 HydrophobicContact CB-CD2 3.89Å; F435-L460 HydrophobicContact CB-CB 3.9Å; F435-L460 HydrophobicContact CD1-CB 4.36Å; F435-L460 HydrophobicContact CD2-CB 3.95Å; F435-L460 HydrophobicContact CD2-CD1 3.63Å; F435-L460 HydrophobicContact CD2-CG 4.35Å; F435-L460 HydrophobicContact CE2-CD1 3.6Å; F435-L460 HydrophobicContact CG-CB 3.82Å; F435-L460 HydrophobicContact CG-CD1 4.34Å; F435-L460 HydrophobicContact CZ-CD1 4.31Å; N437-L460 PolarHBondContact OD1-N 3.35Å; F438-L460 HydrophobicContact CE2-CD2 3.7Å; F438-L460 HydrophobicContact CZ-CD2 4.31Å; L460-S462 PolarHBondContact O-N 3.16Å; L460-Y463 HydrophobicContact CD1-CD1 4.17Å; L460-Y463 WeakPolarHBondContact O-CB 3.46Å; L460-Y463 PolarHBondContact O-N 3.32Å; L460-L464 HydrophobicContact CD1-CD1 3.89Å; L460-L464 HydrophobicContact CD1-CD2 4.16Å; L460-L464 HydrophobicContact CD1-CG 3.77Å; L460-L464 HydrophobicContact CD2-CD1 4.07Å; L460-L464 HydrophobicContact CG-CD1 3.71Å; L460-L464 HydrophobicContact CG-CG 4.01Å; L460-L464 WeakPolarHBondContact O-CG 3.36Å; L460-L464 PolarHBondContact O-N 3.14Å
461W95.4Very high86.8Confident4 Ų453.5 Ų53.52%0.01526%0.26CS..Hα-helixtrans-66.8-35.4-171.4-51.3132.3000113.1F129 V130 M366 I369 E370 V426 N437 F438 S459 L464 W465F129-W461 HydrophobicContact CD1-CB 3.86Å; F129-W461 HydrophobicContact CE1-CB 4.33Å; V130-W461 HydrophobicContact CG2-CB 4.26Å; V130-W461 HydrophobicContact CG2-CG 4Å; M366-W461 HydrophobicContact CB-CD2 3.82Å; M366-W461 HydrophobicContact CB-CE3 3.79Å; M366-W461 HydrophobicContact CB-CG 4.24Å; M366-W461 HydrophobicContact CB-CZ3 4.18Å; M366-W461 HydrophobicContact CE-CE3 4.29Å; M366-W461 HydrophobicContact CG-CD2 3.88Å; M366-W461 HydrophobicContact CG-CE3 3.38Å; M366-W461 HydrophobicContact CG-CG 4.43Å; M366-W461 HydrophobicContact CG-CZ3 3.79Å; M366-W461 HydrophobicContact SD-CB 3.89Å; M366-W461 HydrophobicContact SD-CD2 4.24Å; M366-W461 HydrophobicContact SD-CE3 3.88Å; M366-W461 HydrophobicContact SD-CG 4.28Å; I369-W461 HydrophobicContact CB-CH2 4.29Å; I369-W461 HydrophobicContact CB-CZ2 4.34Å; I369-W461 HydrophobicContact CD1-CH2 4.17Å; I369-W461 HydrophobicContact CG2-CH2 4.13Å; I369-W461 HydrophobicContact CG2-CZ2 4.07Å; E370-W461 HydrophobicContact CG-CZ2 4.18Å; E370-W461 PolarHBondContact OE1-NE1 2.86Å; V426-W461 HydrophobicContact CG2-CZ3 4.24Å; N437-W461 PolarHBondContact ND2-NE1 3.05Å; N437-W461 VanDerWaalsContact ND2-NE1 3.16Å; F438-W461 HydrophobicContact CE1-CZ2 4.47Å; F438-W461 AromaticContact CZ-CH2 3.83Å; F438-W461 HydrophobicContact CZ-CH2 3.83Å; F438-W461 AromaticContact CZ-CZ2 3.9Å; F438-W461 HydrophobicContact CZ-CZ2 3.9Å; S459-W461 PolarHBondContact O-N 2.82Å; W461-L464 HydrophobicContact CE3-CD1 3.96Å; W461-L464 HydrophobicContact CZ3-CD1 4Å; W461-L464 PolarHBondContact O-N 3.07Å; W461-W465 WeakPolarHBondContact O-CB 3.44Å; W461-W465 PolarHBondContact O-N 2.94Å
462S90.9Very high88.3Confident21 Ų2148.5 Ų48.515%0.14724%0.24CC..Hα-helixtrans-67.8-40.2175.4-167.10000111.5D126 L460 W465 T466D126-S462 WeakPolarHBondContact OD1-CB 3.21Å; D126-S462 PolarHBondContact OD1-OG 3.48Å; L460-S462 PolarHBondContact O-N 3.16Å; S462-W465 PolarHBondContact O-N 3.38Å; S462-T466 WeakPolarHBondContact O-CB 3.46Å; S462-T466 PolarHBondContact O-N 3.3Å; S462-T466 PolarHBondContact O-OG1 3.49Å
463Y92.2Very high89.7Confident91 Ų9148 Ų4836%0.35724%0.237SC..Hα-helixtrans-60.3-47.6173.5170.6-100.8000112.1H429 F435 L460 W465 T466 N467H429-Y463 AromaticContact NE2-CE1 3.91Å; F435-Y463 HydrophobicContact CE1-CG 4.47Å; F435-Y463 HydrophobicContact CE2-CD1 4.28Å; F435-Y463 AromaticContact CZ-CD1 3.94Å; F435-Y463 HydrophobicContact CZ-CD1 3.94Å; F435-Y463 HydrophobicContact CZ-CD2 4.4Å; F435-Y463 AromaticContact CZ-CG 3.79Å; F435-Y463 HydrophobicContact CZ-CG 3.79Å; L460-Y463 HydrophobicContact CD1-CD1 4.17Å; L460-Y463 WeakPolarHBondContact O-CB 3.46Å; L460-Y463 PolarHBondContact O-N 3.32Å; Y463-W465 PolarHBondContact O-N 3.14Å; Y463-T466 PolarHBondContact O-N 3.08Å; Y463-N467 WeakPolarHBondContact CD2-ND2 3.4Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.21Å; Y463-N467 PolarHBondContact O-N 2.96Å; Y463-N467 VanDerWaalsContact O-N 3.11Å; Y463-N467 PolarHBondContact O-ND2 3.03Å
464L94.9Very high90.4Very high0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-68-33.3177.7-63.9-179.2000112.8M366 L422 T425 V426 L460 W461 R468 F471M366-L464 HydrophobicContact CE-CB 3.64Å; M366-L464 HydrophobicContact CE-CD1 4.33Å; L422-L464 HydrophobicContact CD1-CD1 3.99Å; L422-L464 HydrophobicContact CD1-CD2 4.47Å; T425-L464 HydrophobicContact CG2-CD2 3.63Å; V426-L464 HydrophobicContact CG2-CD1 3.79Å; L460-L464 HydrophobicContact CD1-CD1 3.89Å; L460-L464 HydrophobicContact CD1-CD2 4.16Å; L460-L464 HydrophobicContact CD1-CG 3.77Å; L460-L464 HydrophobicContact CD2-CD1 4.07Å; L460-L464 HydrophobicContact CG-CD1 3.71Å; L460-L464 HydrophobicContact CG-CG 4.01Å; L460-L464 WeakPolarHBondContact O-CG 3.36Å; L460-L464 PolarHBondContact O-N 3.14Å; W461-L464 HydrophobicContact CE3-CD1 3.96Å; W461-L464 HydrophobicContact CZ3-CD1 4Å; W461-L464 PolarHBondContact O-N 3.07Å; L464-R468 WeakPolarHBondContact O-CA 3.34Å; L464-R468 PolarHBondContact O-N 3.01Å; L464-R468 VanDerWaalsContact O-N 3.1Å; L464-F471 HydrophobicContact CB-CE2 4.36Å; L464-F471 HydrophobicContact CD2-CD2 4.24Å; L464-F471 HydrophobicContact CD2-CE2 3.5Å; L464-F471 HydrophobicContact CD2-CZ 3.67Å
465W94.3Very high91.1Very high88 Ų8849 Ų4933%0.33325%0.246SC..Hα-helixtrans-72.3-35.4177.1-171.1-104.1000113F129 L362 K363 W461 S462 Y463 R468F129-W465 HydrophobicContact CE1-CB 4.3Å; F129-W465 HydrophobicContact CE1-CD2 4.42Å; F129-W465 HydrophobicContact CE1-CE3 4.47Å; F129-W465 HydrophobicContact CE1-CG 4.35Å; F129-W465 HydrophobicContact CE2-CB 4.31Å; F129-W465 AromaticContact CE2-CD1 3.75Å; F129-W465 AromaticContact CE2-CD2 3.94Å; F129-W465 HydrophobicContact CE2-CD2 3.94Å; F129-W465 AromaticContact CE2-CG 3.74Å; F129-W465 HydrophobicContact CE2-CG 3.74Å; F129-W465 AromaticContact CE2-NE1 3.94Å; F129-W465 HydrophobicContact CZ-CB 3.89Å; F129-W465 AromaticContact CZ-CD1 3.98Å; F129-W465 AromaticContact CZ-CD2 3.43Å; F129-W465 HydrophobicContact CZ-CD2 3.43Å; F129-W465 VanDerWaalsContact CZ-CD2 3.43Å; F129-W465 AromaticContact CZ-CE2 3.92Å; F129-W465 AromaticContact CZ-CE3 3.74Å; F129-W465 HydrophobicContact CZ-CE3 3.74Å; F129-W465 AromaticContact CZ-CG 3.49Å; F129-W465 HydrophobicContact CZ-CG 3.49Å; F129-W465 VanDerWaalsContact CZ-CG 3.49Å; F129-W465 HydrophobicContact CZ-CZ3 4.45Å; L362-W465 HydrophobicContact CD2-CE3 3.98Å; L362-W465 HydrophobicContact CD2-CZ3 4.06Å; L362-W465 HydrophobicContact CG-CE3 4.37Å; L362-W465 HydrophobicContact CG-CZ3 4.34Å; K363-W465 HydrophobicContact CB-CH2 4.46Å; K363-W465 HydrophobicContact CB-CZ3 3.93Å; W461-W465 WeakPolarHBondContact O-CB 3.44Å; W461-W465 PolarHBondContact O-N 2.94Å; S462-W465 PolarHBondContact O-N 3.38Å; Y463-W465 PolarHBondContact O-N 3.14Å; W465-R468 WeakPolarHBondContact O-CB 3.46Å; W465-R468 WeakPolarHBondContact O-CD 3.39Å; W465-R468 VanDerWaalsContact O-CG 3.31Å; W465-R468 WeakPolarHBondContact O-CG 3.33Å; W465-R468 PolarHBondContact O-NH1 2.87Å
466T92.4Very high91.7Very high93 Ų9346.6 Ų46.657%0.57123%0.233SC*.Hα-helixtrans-64.9-50.3175.2-60.10000110.1S462 Y463 R468S462-T466 WeakPolarHBondContact O-CB 3.46Å; S462-T466 PolarHBondContact O-N 3.3Å; S462-T466 PolarHBondContact O-OG1 3.49Å; Y463-T466 PolarHBondContact O-N 3.08Å; T466-R468 VanDerWaalsContact C-N 3.26Å; T466-R468 PolarHBondContact O-N 3.2Å
467N92.9Very high91.9Very high49 Ų4947.9 Ų47.926%0.26223%0.234SC..THydrogen-bonded Turntrans-88.420.3-179.3-55.4-62.7000113.5Y463 A469 E470 F471Y463-N467 WeakPolarHBondContact CD2-ND2 3.4Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.21Å; Y463-N467 PolarHBondContact O-N 2.96Å; Y463-N467 VanDerWaalsContact O-N 3.11Å; Y463-N467 PolarHBondContact O-ND2 3.03Å; N467-A469 PolarHBondContact O-N 3.4Å; N467-E470 PolarHBondContact O-N 3.11Å; N467-E470 VanDerWaalsContact O-N 3.14Å; N467-F471 HydrophobicContact CB-CE2 4.17Å
468R93.8Very high91.6Very high114 Ų11454 Ų5443%0.4326%0.263SS..G310 helixtrans-53.6-27.2-171.466.6-172.2176.4-68.8-8.5115.2L362 L464 W465 T466 E470 F471 I472L362-R468 HydrophobicContact CD2-CB 3.47Å; L362-R468 VanDerWaalsContact CD2-CB 3.47Å; L464-R468 WeakPolarHBondContact O-CA 3.34Å; L464-R468 PolarHBondContact O-N 3.01Å; L464-R468 VanDerWaalsContact O-N 3.1Å; W465-R468 WeakPolarHBondContact O-CB 3.46Å; W465-R468 WeakPolarHBondContact O-CD 3.39Å; W465-R468 VanDerWaalsContact O-CG 3.31Å; W465-R468 WeakPolarHBondContact O-CG 3.33Å; W465-R468 PolarHBondContact O-NH1 2.87Å; T466-R468 VanDerWaalsContact C-N 3.26Å; T466-R468 PolarHBondContact O-N 3.2Å; R468-E470 PolarHBondContact O-N 2.87Å; R468-F471 WeakPolarHBondContact O-CA 3.32Å; R468-F471 PolarHBondContact O-N 2.95Å; R468-I472 WeakPolarHBondContact O-CG1 3.46Å; R468-I472 PolarHBondContact O-N 2.85Å; R468-I472 VanDerWaalsContact O-N 3.13Å
469A91.4Very high91.1Very high83 Ų8360.9 Ų60.969%0.68630%0.3SS*.G310 helixtrans-56.1-36.418000000112.7N467 F471N467-A469 PolarHBondContact O-N 3.4Å; A469-F471 PolarHBondContact O-N 2.88Å
470E90.7Very high90.6Very high103 Ų10363.4 Ų63.448%0.48131%0.311SS..G310 helixtrans-70.1-19.2176.7-62.4177.5-150.500113.3N419 N467 R468N419-E470 PolarHBondContact ND2-O 3.31Å; N467-E470 PolarHBondContact O-N 3.11Å; N467-E470 VanDerWaalsContact O-N 3.14Å; R468-E470 PolarHBondContact O-N 2.87Å
471F94.3Very high89.6Confident2 Ų268.2 Ų68.21%0.00935%0.345CS..G310 helixtrans-106.7-9.9-172.2-56.2-50.5000113.5L362 Y418 N419 N421 L422 T425 L464 N467 R468 A469L362-F471 HydrophobicContact CD1-CB 4.42Å; Y418-F471 CarbonylContact C-O 3.51Å; Y418-F471 WeakPolarHBondContact CA-O 3.38Å; N419-F471 VanDerWaalsContact CG-O 3.29Å; N419-F471 PolarHBondContact N-O 2.9Å; N419-F471 VanDerWaalsContact ND2-C 3.33Å; N419-F471 PolarHBondContact ND2-O 2.97Å; N419-F471 PolarHBondContact OD1-O 3.22Å; N421-F471 HydrophobicContact CB-CD1 4.43Å; N421-F471 WeakPolarHBondContact ND2-CE1 3.47Å; L422-F471 HydrophobicContact CB-CB 4.15Å; L422-F471 HydrophobicContact CB-CD1 4.15Å; L422-F471 HydrophobicContact CB-CG 4.34Å; L422-F471 HydrophobicContact CD1-CB 4.05Å; L422-F471 HydrophobicContact CD1-CD1 4.19Å; L422-F471 HydrophobicContact CD1-CD2 4.2Å; L422-F471 HydrophobicContact CD1-CG 3.87Å; T425-F471 HydrophobicContact CG2-CE1 4.16Å; T425-F471 HydrophobicContact CG2-CZ 4.04Å; L464-F471 HydrophobicContact CB-CE2 4.36Å; L464-F471 HydrophobicContact CD2-CD2 4.24Å; L464-F471 HydrophobicContact CD2-CE2 3.5Å; L464-F471 HydrophobicContact CD2-CZ 3.67Å; N467-F471 HydrophobicContact CB-CE2 4.17Å; R468-F471 WeakPolarHBondContact O-CA 3.32Å; R468-F471 PolarHBondContact O-N 2.95Å; A469-F471 PolarHBondContact O-N 2.88Å
472I93Very high88.7Confident53 Ų5370.8 Ų70.827%0.27236%0.357SS..BIsolated β-bridgetrans-73.1134.3176.4-64.8-59000110.6L362 E417 N419 R468L362-I472 HydrophobicContact CD2-CD1 4.49Å; E417-I472 HydrophobicContact CG-CD1 3.8Å; E417-I472 WeakPolarHBondContact O-CA 3.4Å; N419-I472 PolarHBondContact ND2-O 3.1Å; R468-I472 WeakPolarHBondContact O-CG1 3.46Å; R468-I472 PolarHBondContact O-N 2.85Å; R468-I472 VanDerWaalsContact O-N 3.13Å
473N91.9Very high88Confident3 Ų369.9 Ų69.92%0.01635%0.351CS..  trans-79.9118.7168.5172.49.1000110P413 F416 E417 N419 L475 Y476P413-N473 PolarHBondContact O-ND2 3.23Å; F416-N473 WeakPolarHBondContact O-CB 3.41Å; F416-N473 PolarHBondContact O-ND2 3.26Å; E417-N473 PolarHBondContact O-N 3.13Å; N419-N473 HydrophobicContact CB-CB 4.28Å; N473-L475 PolarHBondContact O-N 3.43Å; N473-L475 WeakPolarHBondContact OD1-CB 2.99Å; N473-L475 PolarHBondContact OD1-N 3.07Å; N473-Y476 WeakPolarHBondContact O-CB 3.11Å; N473-Y476 PolarHBondContact O-N 3.05Å; N473-Y476 VanDerWaalsContact O-N 3.17Å
474P88.5Confident87.5Confident38 Ų3870.3 Ų70.325%0.24736%0.356CS..THydrogen-bonded Turntrans-68.2-17179.429.6-35.6000113.8L523P474-L523 HydrophobicContact CG-CB 4.43Å
475L88.8Confident87.1Confident49 Ų4972.1 Ų72.126%0.25738%0.375SS..THydrogen-bonded Turntrans-85.8-8.6175.8-62.1176.3000113.3P413 C414 N473 R477 L523P413-L475 HydrophobicContact CB-CD1 4.19Å; C414-L475 WeakPolarHBondContact CA-O 3.5Å; N473-L475 PolarHBondContact O-N 3.43Å; N473-L475 WeakPolarHBondContact OD1-CB 2.99Å; N473-L475 PolarHBondContact OD1-N 3.07Å; L475-R477 PolarHBondContact O-N 2.81Å; L475-L523 HydrophobicContact CD1-CD1 4.25Å; L475-L523 HydrophobicContact CD2-CD1 3.74Å; L475-L523 HydrophobicContact CG-CD1 4.13Å
476Y91.1Very high87Confident52 Ų5270.3 Ų70.320%0.20437%0.371CS..  trans-59.8131.1179.7-179.7-116.9000111.8C414 F416 E417 N473 Q478C414-Y476 WeakPolarHBondContact O-CD2 3.41Å; F416-Y476 WeakPolarHBondContact O-CB 3.24Å; F416-Y476 WeakPolarHBondContact O-CD2 3.43Å; E417-Y476 VanDerWaalsContact CA-CG 3.48Å; E417-Y476 HydrophobicContact CB-CD1 3.98Å; E417-Y476 HydrophobicContact CB-CD2 4.22Å; E417-Y476 HydrophobicContact CB-CE1 4.02Å; E417-Y476 HydrophobicContact CB-CE2 4.25Å; E417-Y476 HydrophobicContact CB-CG 4.08Å; E417-Y476 HydrophobicContact CG-CD1 3.94Å; E417-Y476 HydrophobicContact CG-CE1 4.08Å; E417-Y476 HydrophobicContact CG-CG 4.43Å; N473-Y476 WeakPolarHBondContact O-CB 3.11Å; N473-Y476 PolarHBondContact O-N 3.05Å; N473-Y476 VanDerWaalsContact O-N 3.17Å; Y476-Q478 HydrophobicContact CE1-CB 4.15Å
477R85.6Confident87.1Confident149 Ų14966.2 Ų66.256%0.56235%0.346SS*.  trans-136.3101.4178.6-70.2175.3-176.6-176.50.3109.9C414 L475 N479 H480 S483C414-R477 PolarHBondContact O-N 3.05Å; L475-R477 PolarHBondContact O-N 2.81Å; R477-N479 VanDerWaalsContact C-N 3.26Å; R477-N479 PolarHBondContact O-N 3.43Å; R477-N479 VanDerWaalsContact O-N 3.16Å; R477-H480 HydrophobicContact CB-CB 3.6Å; R477-H480 VanDerWaalsContact O-CB 3.29Å; R477-H480 WeakPolarHBondContact O-CB 3.5Å; R477-H480 PolarHBondContact O-N 3.04Å; R477-S483 WeakPolarHBondContact O-CB 3.28Å; R477-S483 PolarHBondContact O-OG 3.24Å
478Q82.4Confident87Confident130 Ų13073.6 Ų73.661%0.60737%0.37SS*.THydrogen-bonded Turntrans-52-41.6-177-170.2177.612.300113.4Y476 H480 Q484Y476-Q478 HydrophobicContact CE1-CB 4.15Å; Q478-H480 VanDerWaalsContact C-N 3.33Å; Q478-H480 PolarHBondContact O-N 2.95Å; Q478-Q484 PolarHBondContact O-NE2 2.84Å
479N81.3Confident86.9Confident153 Ų15368.7 Ų68.782%0.81835%0.353SS*.THydrogen-bonded Turntrans-89.413-177.2-62.8-17.8000114.2R477R477-N479 VanDerWaalsContact C-N 3.26Å; R477-N479 PolarHBondContact O-N 3.43Å; R477-N479 VanDerWaalsContact O-N 3.16Å
480H81.2Confident86.6Confident57 Ų5767.2 Ų67.226%0.26434%0.337SS..SBendtrans-86.9150.9-179.1-169.9-115.5000112.3R477 Q478 Q482 S483 Q484R477-H480 HydrophobicContact CB-CB 3.6Å; R477-H480 VanDerWaalsContact O-CB 3.29Å; R477-H480 WeakPolarHBondContact O-CB 3.5Å; R477-H480 PolarHBondContact O-N 3.04Å; Q478-H480 VanDerWaalsContact C-N 3.33Å; Q478-H480 PolarHBondContact O-N 2.95Å; H480-Q482 VanDerWaalsContact C-N 3.26Å; H480-Q482 PolarHBondContact O-N 2.97Å; H480-S483 WeakPolarHBondContact O-CB 3.29Å; H480-S483 PolarHBondContact O-N 3.23Å; H480-Q484 PolarHBondContact O-N 2.79Å
481S75.7Confident86Confident100 Ų10063.8 Ų63.870%0.69932%0.323SS*.THydrogen-bonded Turntrans-60.8-30.9-177.654.10000114
482Q75.8Confident85.1Confident59 Ų5964.6 Ų64.628%0.27633%0.331SS..THydrogen-bonded Turntrans-74.1-26.2173.8-65.3179.8-33.400113F412 A415 H480 L487F412-Q482 HydrophobicContact CD1-CG 4.42Å; A415-Q482 HydrophobicContact CB-CB 4.23Å; A415-Q482 VanDerWaalsContact CB-O 3.24Å; A415-Q482 WeakPolarHBondContact CB-O 3.35Å; H480-Q482 VanDerWaalsContact C-N 3.26Å; H480-Q482 PolarHBondContact O-N 2.97Å; Q482-L487 WeakPolarHBondContact O-CD2 3.36Å
483S75.1Confident83.8Confident2 Ų266.8 Ų66.81%0.01435%0.349CS..THydrogen-bonded Turntrans-84.6-20.3-175.3-45.70000112.4P357 R360 C414 R477 H480P357-S483 WeakPolarHBondContact CB-O 3.5Å; P357-S483 WeakPolarHBondContact CG-O 3.31Å; R360-S483 PolarHBondContact NH1-O 3.15Å; C414-S483 PolarHBondContact O-OG 3.07Å; R477-S483 WeakPolarHBondContact O-CB 3.28Å; R477-S483 PolarHBondContact O-OG 3.24Å; H480-S483 WeakPolarHBondContact O-CB 3.29Å; H480-S483 PolarHBondContact O-N 3.23Å
484Q82.3Confident82.5Confident100 Ų10075.5 Ų75.547%0.46738%0.382SS..SBendtrans-102.4146.5-176.1-67.2-61.4-30.800112Q478 H480Q478-Q484 PolarHBondContact O-NE2 2.84Å; H480-Q484 PolarHBondContact O-N 2.79Å
485G85.8Confident81Confident38 Ų3875 Ų7539%0.39238%0.38SS..SBendtrans62.4-158.617700000115R360R360-G485 PolarHBondContact NH1-O 3.11Å; R360-G485 PolarHBondContact NH2-O 3.45Å
486L92.9Very high79Confident49 Ų4981.6 Ų81.626%0.25741%0.407SS..  trans-71.3123.1-175.9173.271.6000112.4A324 A328 L354 L355 R488A324-L486 HydrophobicContact CB-CD1 3.92Å; A328-L486 HydrophobicContact CB-CD2 3.75Å; L354-L486 WeakPolarHBondContact O-CA 3.4Å; L355-L486 HydrophobicContact CD2-CD1 4.21Å; L486-R488 HydrophobicContact CD2-CG 4.03Å; L486-R488 HydrophobicContact CG-CG 4.13Å
487L94.3Very high77.1Confident8 Ų882.5 Ų82.54%0.04242%0.415CS..  trans-74.2136.2164.8-69.6178.3000110.8L354 F412 A415 F416 Q482 P489L354-L487 HydrophobicContact CD2-CB 3.72Å; L354-L487 PolarHBondContact O-N 2.84Å; F412-L487 HydrophobicContact CB-CD2 4.2Å; F412-L487 HydrophobicContact CD1-CD2 3.86Å; F412-L487 HydrophobicContact CD2-CB 4.39Å; F412-L487 HydrophobicContact CD2-CD1 3.91Å; F412-L487 HydrophobicContact CD2-CD2 3.75Å; F412-L487 HydrophobicContact CD2-CG 4.23Å; F412-L487 HydrophobicContact CE1-CD2 4.14Å; F412-L487 HydrophobicContact CE2-CB 4.05Å; F412-L487 HydrophobicContact CE2-CD1 4.37Å; F412-L487 HydrophobicContact CE2-CD2 4.04Å; F412-L487 HydrophobicContact CE2-CG 4.38Å; F412-L487 HydrophobicContact CG-CD1 4.44Å; F412-L487 HydrophobicContact CG-CD2 3.66Å; F412-L487 HydrophobicContact CZ-CB 4.44Å; F412-L487 HydrophobicContact CZ-CD2 4.23Å; A415-L487 HydrophobicContact CB-CD2 4.24Å; F416-L487 HydrophobicContact CE2-CD1 4.11Å; F416-L487 HydrophobicContact CZ-CD1 4Å; Q482-L487 WeakPolarHBondContact O-CD2 3.36Å; L487-P489 WeakPolarHBondContact O-CD 3.18Å
488R91.9Very high75.3Confident203 Ų20375.5 Ų75.577%0.76639%0.389SS*.  trans-122.675.5178.5-66.5-178.8177.1161.40.2109.8L486L486-R488 HydrophobicContact CD2-CG 4.03Å; L486-R488 HydrophobicContact CG-CG 4.13Å
489P90.8Very high74.1Confident11 Ų1171.8 Ų71.87%0.07137%0.371CS..  trans-63.4144.617829.2-37.3000110.5V321 L354 L408 Q411 F412 L487V321-P489 HydrophobicContact CG2-CG 3.47Å; V321-P489 VanDerWaalsContact CG2-CG 3.47Å; L354-P489 HydrophobicContact CD2-CG 3.9Å; L408-P489 HydrophobicContact CD2-CB 3.67Å; L408-P489 HydrophobicContact CD2-CG 3.7Å; Q411-P489 VanDerWaalsContact OE1-CA 3.22Å; F412-P489 HydrophobicContact CE2-CB 4Å; F412-P489 HydrophobicContact CZ-CB 4.4Å; L487-P489 WeakPolarHBondContact O-CD 3.18Å
490S85Confident73.9Confident52 Ų5270.2 Ų70.236%0.36435%0.354SS..  trans-83.8127167.6-176.60000109.4Q411 C495 L498Q411-S490 PolarHBondContact NE2-O 3.4Å; S490-C495 VanDerWaalsContact CB-SG 3.56Å; S490-C495 PolarHBondContact OG-SG 2.89Å; S490-L498 WeakPolarHBondContact O-CD2 3.3Å
491T79.4Confident74.1Confident31 Ų3168.2 Ų68.219%0.1934%0.344CS..  trans-106.521.8177.972.20000113.8K314 D318 V321 L498K314-T491 WeakPolarHBondContact CE-O 3.46Å; K314-T491 PolarHBondContact NZ-O 2.95Å; K314-T491 PolarHBondContact NZ-OG1 2.86Å; D318-T491 WeakPolarHBondContact OD1-CB 3.47Å; D318-T491 WeakPolarHBondContact OD1-CG2 3.38Å; D318-T491 PolarHBondContact OD1-OG1 2.86Å; V321-T491 HydrophobicContact CG2-CG2 4.36Å; T491-L498 HydrophobicContact CG2-CD2 3.77Å
492A74.9Confident74.8Confident19 Ų1963.5 Ų63.516%0.15731%0.311CS..  trans-71.9138.4175.500000111.6Y494 C495A492-Y494 HydrophobicContact CB-CD1 4.15Å; A492-Y494 HydrophobicContact CB-CD2 4.41Å; A492-Y494 HydrophobicContact CB-CE1 3.68Å; A492-Y494 HydrophobicContact CB-CE2 3.95Å; A492-Y494 HydrophobicContact CB-CG 4.49Å; A492-Y494 PolarHBondContact O-N 2.92Å; A492-C495 WeakPolarHBondContact O-CB 3.01Å; A492-C495 PolarHBondContact O-N 2.66Å
493P65.9Low75.3Confident100 Ų10068.1 Ų68.165%0.64933%0.326SS*.THydrogen-bonded Turntrans-54.9-28.4-178-29.636.5000115.9H499P493-H499 PolarHBondContact O-CD2 3.28Å
494Y63.3Low75.9Confident185 Ų18569.2 Ų69.273%0.72534%0.338SS*.THydrogen-bonded Turntrans-87.7-0.7179.357.4-101.2000113.9A492 F496A492-Y494 HydrophobicContact CB-CD1 4.15Å; A492-Y494 HydrophobicContact CB-CD2 4.41Å; A492-Y494 HydrophobicContact CB-CE1 3.68Å; A492-Y494 HydrophobicContact CB-CE2 3.95Å; A492-Y494 HydrophobicContact CB-CG 4.49Å; A492-Y494 PolarHBondContact O-N 2.92Å; Y494-F496 PolarHBondContact O-N 3.06Å
495C57.3Low76.3Confident28 Ų2864.4 Ų64.419%0.18932%0.315CS..  trans-72.1100.3174.3-76.10000109.6S490 A492 N497 L498S490-C495 VanDerWaalsContact CB-SG 3.56Å; S490-C495 PolarHBondContact OG-SG 2.89Å; A492-C495 WeakPolarHBondContact O-CB 3.01Å; A492-C495 PolarHBondContact O-N 2.66Å; C495-N497 PolarHBondContact O-N 3.08Å; C495-L498 PolarHBondContact O-N 2.97Å
496F47.3Very low76.5Confident188 Ų18863 Ų6383%0.82530%0.298SS*.THydrogen-bonded Turntrans-46.3-21.5-178.3-68-81.2000115.4Y494 R500Y494-F496 PolarHBondContact O-N 3.06Å; F496-R500 WeakPolarHBondContact O-CG 3.36Å
497N50.8Low76Confident70 Ų7061.9 Ų61.937%0.37429%0.293SS..THydrogen-bonded Turntrans-96.7-20.3-179.4-66.115.3000115.3Q407 E410 Q411 C495Q407-N497 PolarHBondContact OE1-O 2.95Å; E410-N497 PolarHBondContact O-ND2 3.38Å; Q411-N497 HydrophobicContact CG-CB 4.08Å; C495-N497 PolarHBondContact O-N 3.08Å
498L47.6Very low75.5Confident3 Ų365 Ų652%0.01630%0.304CS..THydrogen-bonded Turntrans-95.1-10.5-179.8-152.973000114.6L317 Q407 Q411 S490 T491 C495L317-L498 HydrophobicContact CD1-CD1 3.73Å; L317-L498 HydrophobicContact CD1-CD2 4.02Å; L317-L498 HydrophobicContact CD1-CG 4.05Å; Q407-L498 HydrophobicContact CB-CD1 3.73Å; Q407-L498 PolarHBondContact OE1-O 3.24Å; Q407-L498 VanDerWaalsContact OE1-O 3.09Å; Q411-L498 HydrophobicContact CG-CD1 4.45Å; S490-L498 WeakPolarHBondContact O-CD2 3.3Å; T491-L498 HydrophobicContact CG2-CD2 3.77Å; C495-L498 PolarHBondContact O-N 2.97Å
499H58.1Low75Confident52 Ų5258.8 Ų58.824%0.24128%0.282CS..SBendtrans-116.325.5177.9-61.8-61.3000111.3L310 P493L310-H499 HydrophobicContact CD1-CB 4.48Å; P493-H499 PolarHBondContact O-CD2 3.28Å
500R76.3Confident74.2Confident120 Ų12059.4 Ų59.445%0.45329%0.285SS..  trans-72.2130170.3-60.4-171.873.1168.21108.1W406 Q407 E410 F496W406-R500 HydrophobicContact CH2-CB 3.73Å; W406-R500 HydrophobicContact CZ3-CB 4.12Å; W406-R500 WeakPolarHBondContact CZ3-O 3.23Å; Q407-R500 PolarHBondContact NE2-O 3.09Å; E410-R500 WeakPolarHBondContact OE2-CD 3.44Å; E410-R500 IonicContact OE2-CZ 2.85Å; E410-R500 VanDerWaalsContact OE2-CZ 3.22Å; E410-R500 IonicContact OE2-NE 2.7Å; E410-R500 PolarHBondContact OE2-NE 2.94Å; E410-R500 IonicContact OE2-NH1 3.18Å; E410-R500 PolarHBondContact OE2-NH1 3.34Å; F496-R500 WeakPolarHBondContact O-CG 3.36Å
501F85.9Confident73.2Confident15 Ų1565.2 Ų65.27%0.06630%0.299CS..  trans-69.2130.9166.8178.3-114.5000109.6M286 C290 F300 L304 R503 Y506M286-F501 HydrophobicContact CG-CE2 3.9Å; M286-F501 HydrophobicContact SD-CE2 3.78Å; M286-F501 HydrophobicContact SD-CZ 4.19Å; C290-F501 WeakPolarHBondContact SG-CZ 3.27Å; F300-F501 AromaticContact CZ-CD1 3.83Å; F300-F501 HydrophobicContact CZ-CD1 3.83Å; F300-F501 HydrophobicContact CZ-CE1 4.02Å; F300-F501 HydrophobicContact CZ-CG 4.3Å; L304-F501 HydrophobicContact CD1-CD2 3.8Å; L304-F501 HydrophobicContact CD1-CE2 4.17Å; L304-F501 HydrophobicContact CD2-CB 3.93Å; L304-F501 HydrophobicContact CD2-CD2 4.13Å; L304-F501 HydrophobicContact CD2-CG 4.2Å; F501-R503 VanDerWaalsContact C-N 3.25Å; F501-R503 HydrophobicContact CD1-CG 3.67Å; F501-R503 HydrophobicContact CE1-CG 4.27Å; F501-R503 PolarHBondContact O-N 3.04Å; F501-Y506 HydrophobicContact CD2-CD2 4.31Å; F501-Y506 HydrophobicContact CE1-CD2 4.4Å; F501-Y506 AromaticContact CE2-CD2 3.48Å; F501-Y506 HydrophobicContact CE2-CD2 3.48Å; F501-Y506 VanDerWaalsContact CE2-CD2 3.48Å; F501-Y506 HydrophobicContact CE2-CE2 4.13Å; F501-Y506 HydrophobicContact CE2-CG 4.1Å; F501-Y506 AromaticContact CZ-CD2 3.53Å; F501-Y506 HydrophobicContact CZ-CD2 3.53Å; F501-Y506 AromaticContact CZ-CG 3.77Å; F501-Y506 HydrophobicContact CZ-CG 3.77Å
502W90.1Very high72Confident0 Ų066.8 Ų66.80%032%0.322CS..  trans-75.472.7-176.7-168.46.8000112.8L402 E403 W406 E420 L423 I424 G504 L505 Y506L402-W502 HydrophobicContact CB-CH2 4.22Å; L402-W502 HydrophobicContact CB-CZ3 4.14Å; E403-W502 HydrophobicContact CB-CE3 3.66Å; E403-W502 HydrophobicContact CB-CZ3 3.9Å; E403-W502 HydrophobicContact CG-CB 4.45Å; E403-W502 HydrophobicContact CG-CE3 3.81Å; W406-W502 HydrophobicContact CB-CD2 4.17Å; W406-W502 HydrophobicContact CB-CE3 4.27Å; W406-W502 HydrophobicContact CB-CH2 4.12Å; W406-W502 HydrophobicContact CB-CZ2 4.01Å; W406-W502 HydrophobicContact CB-CZ3 4.24Å; W406-W502 AromaticContact CD1-CE2 3.75Å; W406-W502 AromaticContact CD1-NE1 3.57Å; W406-W502 HydrophobicContact CD2-CB 4.19Å; W406-W502 AromaticContact CD2-CD1 3.56Å; W406-W502 AromaticContact CD2-CD2 3.84Å; W406-W502 HydrophobicContact CD2-CD2 3.84Å; W406-W502 AromaticContact CD2-CE2 3.95Å; W406-W502 AromaticContact CD2-CG 3.63Å; W406-W502 HydrophobicContact CD2-CG 3.63Å; W406-W502 AromaticContact CD2-NE1 3.8Å; W406-W502 AromaticContact CE2-CD1 3.38Å; W406-W502 AromaticContact CE2-CG 3.91Å; W406-W502 AromaticContact CE2-NE1 3.67Å; W406-W502 HydrophobicContact CE3-CB 3.71Å; W406-W502 AromaticContact CE3-CD1 4Å; W406-W502 HydrophobicContact CE3-CD2 4.08Å; W406-W502 AromaticContact CE3-CG 3.66Å; W406-W502 HydrophobicContact CE3-CG 3.66Å; W406-W502 AromaticContact CG-CD2 3.87Å; W406-W502 HydrophobicContact CG-CD2 3.87Å; W406-W502 AromaticContact CG-CE2 3.61Å; W406-W502 HydrophobicContact CG-CE3 4.44Å; W406-W502 HydrophobicContact CG-CG 4.15Å; W406-W502 AromaticContact CG-CZ2 3.99Å; W406-W502 HydrophobicContact CG-CZ2 3.99Å; W406-W502 AromaticContact CG-NE1 3.76Å; W406-W502 HydrophobicContact CH2-CB 4.06Å; W406-W502 HydrophobicContact CH2-CG 4.28Å; W406-W502 HydrophobicContact CZ2-CB 4.49Å; W406-W502 AromaticContact CZ2-CD1 3.7Å; W406-W502 HydrophobicContact CZ2-CG 4.24Å; W406-W502 HydrophobicContact CZ3-CB 3.63Å; W406-W502 AromaticContact CZ3-CG 3.99Å; W406-W502 HydrophobicContact CZ3-CG 3.99Å; W406-W502 AromaticContact NE1-CD1 3.71Å; W406-W502 AromaticContact NE1-NE1 3.5Å; E420-W502 HydrophobicContact CG-CZ2 4.31Å; E420-W502 PolarHBondContact OE1-NE1 2.92Å; L423-W502 HydrophobicContact CB-CH2 3.8Å; L423-W502 HydrophobicContact CB-CZ2 3.99Å; L423-W502 HydrophobicContact CD1-CH2 4.22Å; L423-W502 HydrophobicContact CD1-CZ2 4.38Å; I424-W502 HydrophobicContact CG1-CZ2 4.1Å; W502-G504 VanDerWaalsContact C-N 3.29Å; W502-G504 PolarHBondContact O-N 2.82Å; W502-L505 HydrophobicContact CD2-CB 3.52Å; W502-L505 HydrophobicContact CD2-CD2 4.01Å; W502-L505 HydrophobicContact CD2-CG 4.41Å; W502-L505 HydrophobicContact CE3-CB 3.91Å; W502-L505 HydrophobicContact CE3-CD2 3.46Å; W502-L505 VanDerWaalsContact CE3-CD2 3.46Å; W502-L505 HydrophobicContact CE3-CG 4.33Å; W502-L505 HydrophobicContact CG-CB 3.78Å; W502-L505 HydrophobicContact CH2-CD2 4.05Å; W502-L505 HydrophobicContact CZ2-CB 4.19Å; W502-L505 HydrophobicContact CZ3-CB 4.4Å; W502-L505 HydrophobicContact CZ3-CD2 3.49Å; W502-L505 VanDerWaalsContact CZ3-CD2 3.49Å; W502-L505 PolarHBondContact O-N 2.68Å; W502-L505 VanDerWaalsContact O-N 3.09Å; W502-Y506 HydrophobicContact CB-CD2 4.14Å; W502-Y506 HydrophobicContact CB-CE2 4.03Å; W502-Y506 VanDerWaalsContact O-CD2 3.29Å; W502-Y506 WeakPolarHBondContact O-CD2 3.33Å; W502-Y506 PolarHBondContact O-N 3.22Å; W502-Y506 VanDerWaalsContact O-N 3.09Å
503R86.9Confident71.1Confident156 Ų15670.4 Ų70.459%0.58934%0.336SS*.Hα-helixtrans-58.2-36.8-176.3-67.2172.2-172.6-163.8-1113.3F501 L505 N507F501-R503 VanDerWaalsContact C-N 3.25Å; F501-R503 HydrophobicContact CD1-CG 3.67Å; F501-R503 HydrophobicContact CE1-CG 4.27Å; F501-R503 PolarHBondContact O-N 3.04Å; R503-L505 PolarHBondContact O-N 3.03Å; R503-N507 PolarHBondContact O-N 3.03Å
504G86.5Confident70.2Confident25 Ų2574.2 Ų74.226%0.25835%0.345SS..Hα-helixtrans-71.1-13.7179.200000114.6E420 I424 W502 R508E420-G504 VanDerWaalsContact OE1-CA 3.32Å; E420-G504 WeakPolarHBondContact OE1-CA 3.43Å; I424-G504 WeakPolarHBondContact CD1-O 3.18Å; W502-G504 VanDerWaalsContact C-N 3.29Å; W502-G504 PolarHBondContact O-N 2.82Å; G504-R508 VanDerWaalsContact O-CB 3.25Å; G504-R508 WeakPolarHBondContact O-CB 3.5Å
505L90.7Very high69.5Low0 Ų070.4 Ų70.40%034%0.343CS..Hα-helixtrans-93.3-57.4165.9-179.258.9000111.6F77 H427 W502 R503 R508F77-L505 HydrophobicContact CD2-CD1 4.16Å; F77-L505 HydrophobicContact CD2-CG 4Å; F77-L505 HydrophobicContact CE2-CD1 3.96Å; F77-L505 HydrophobicContact CE2-CD2 3.96Å; F77-L505 HydrophobicContact CE2-CG 3.72Å; H427-L505 HydrophobicContact CB-CD1 4.47Å; W502-L505 HydrophobicContact CD2-CB 3.52Å; W502-L505 HydrophobicContact CD2-CD2 4.01Å; W502-L505 HydrophobicContact CD2-CG 4.41Å; W502-L505 HydrophobicContact CE3-CB 3.91Å; W502-L505 HydrophobicContact CE3-CD2 3.46Å; W502-L505 VanDerWaalsContact CE3-CD2 3.46Å; W502-L505 HydrophobicContact CE3-CG 4.33Å; W502-L505 HydrophobicContact CG-CB 3.78Å; W502-L505 HydrophobicContact CH2-CD2 4.05Å; W502-L505 HydrophobicContact CZ2-CB 4.19Å; W502-L505 HydrophobicContact CZ3-CB 4.4Å; W502-L505 HydrophobicContact CZ3-CD2 3.49Å; W502-L505 VanDerWaalsContact CZ3-CD2 3.49Å; W502-L505 PolarHBondContact O-N 2.68Å; W502-L505 VanDerWaalsContact O-N 3.09Å; R503-L505 PolarHBondContact O-N 3.03Å; L505-R508 WeakPolarHBondContact O-CD 3.38Å
506Y90.3Very high69.3Low8 Ų880.5 Ų80.53%0.03138%0.377CS..Hα-helixtrans-78.3-35-166.4-63.3-61.7000114.7F77 M286 L287 W309 E403 F501 W502F77-Y506 HydrophobicContact CD1-CD1 4.37Å; F77-Y506 AromaticContact CD2-CD1 3.62Å; F77-Y506 HydrophobicContact CD2-CD1 3.62Å; F77-Y506 AromaticContact CD2-CE1 3.97Å; F77-Y506 HydrophobicContact CD2-CE1 3.97Å; F77-Y506 HydrophobicContact CE1-CD1 4.42Å; F77-Y506 HydrophobicContact CE1-CE1 4.22Å; F77-Y506 AromaticContact CE2-CD1 3.67Å; F77-Y506 HydrophobicContact CE2-CD1 3.67Å; F77-Y506 AromaticContact CE2-CE1 3.5Å; F77-Y506 HydrophobicContact CE2-CE1 3.5Å; F77-Y506 VanDerWaalsContact CE2-CE1 3.5Å; F77-Y506 HydrophobicContact CG-CD1 4Å; F77-Y506 HydrophobicContact CZ-CD1 4.1Å; F77-Y506 AromaticContact CZ-CE1 3.66Å; F77-Y506 HydrophobicContact CZ-CE1 3.66Å; M286-Y506 HydrophobicContact CE-CD1 4Å; M286-Y506 HydrophobicContact CE-CD2 4.31Å; M286-Y506 HydrophobicContact CE-CE1 3.49Å; M286-Y506 VanDerWaalsContact CE-CE1 3.49Å; M286-Y506 HydrophobicContact CE-CE2 3.82Å; M286-Y506 HydrophobicContact CE-CG 4.4Å; M286-Y506 HydrophobicContact SD-CD1 4.01Å; M286-Y506 HydrophobicContact SD-CD2 4.25Å; M286-Y506 HydrophobicContact SD-CE1 4.14Å; M286-Y506 HydrophobicContact SD-CE2 4.34Å; M286-Y506 HydrophobicContact SD-CG 4.09Å; L287-Y506 HydrophobicContact CD2-CD1 4.05Å; W309-Y506 VanDerWaalsContact CZ2-OH 3.28Å; W309-Y506 WeakPolarHBondContact CZ2-OH 3.36Å; E403-Y506 PolarHBondContact OE2-OH 3.13Å; F501-Y506 HydrophobicContact CD2-CD2 4.31Å; F501-Y506 HydrophobicContact CE1-CD2 4.4Å; F501-Y506 AromaticContact CE2-CD2 3.48Å; F501-Y506 HydrophobicContact CE2-CD2 3.48Å; F501-Y506 VanDerWaalsContact CE2-CD2 3.48Å; F501-Y506 HydrophobicContact CE2-CE2 4.13Å; F501-Y506 HydrophobicContact CE2-CG 4.1Å; F501-Y506 AromaticContact CZ-CD2 3.53Å; F501-Y506 HydrophobicContact CZ-CD2 3.53Å; F501-Y506 AromaticContact CZ-CG 3.77Å; F501-Y506 HydrophobicContact CZ-CG 3.77Å; W502-Y506 HydrophobicContact CB-CD2 4.14Å; W502-Y506 HydrophobicContact CB-CE2 4.03Å; W502-Y506 VanDerWaalsContact O-CD2 3.29Å; W502-Y506 WeakPolarHBondContact O-CD2 3.33Å; W502-Y506 PolarHBondContact O-N 3.22Å; W502-Y506 VanDerWaalsContact O-N 3.09Å
507N83.4Confident69.7Low26 Ų2678.6 Ų78.614%0.13937%0.371CS..SBendtrans-110.914.1-174.9-653.9000112.6R503 F509 D510R503-N507 PolarHBondContact O-N 3.03Å; N507-F509 PolarHBondContact O-N 2.91Å; N507-D510 WeakPolarHBondContact O-CB 3.25Å; N507-D510 PolarHBondContact O-N 3.45Å
508R82.9Confident70.1Confident74 Ų7476.8 Ų76.828%0.27936%0.364SS..THydrogen-bonded Turntrans-62.4-18.7-170.775.8-171-169.2-173.911.5115.6I424 S428 G504 L505I424-R508 VanDerWaalsContact CG2-NH1 3.34Å; S428-R508 PolarHBondContact OG-NH1 3.34Å; S428-R508 VanDerWaalsContact OG-NH1 3.14Å; S428-R508 PolarHBondContact OG-NH2 3.28Å; G504-R508 VanDerWaalsContact O-CB 3.25Å; G504-R508 WeakPolarHBondContact O-CB 3.5Å; L505-R508 WeakPolarHBondContact O-CD 3.38Å
509F81.7Confident71Confident71 Ų7181.9 Ų81.931%0.31140%0.395SS..THydrogen-bonded Turntrans-95.3-8.5179-63.8-70.5000113.4N76 Q78 N507 R511N76-F509 WeakPolarHBondContact O-CE2 3.19Å; Q78-F509 HydrophobicContact CB-CD1 4.48Å; Q78-F509 HydrophobicContact CB-CD2 3.61Å; Q78-F509 HydrophobicContact CB-CE1 4.39Å; Q78-F509 HydrophobicContact CB-CE2 3.48Å; Q78-F509 VanDerWaalsContact CB-CE2 3.48Å; Q78-F509 HydrophobicContact CB-CG 4.11Å; Q78-F509 HydrophobicContact CB-CZ 3.89Å; Q78-F509 HydrophobicContact CG-CB 4.43Å; Q78-F509 HydrophobicContact CG-CD1 3.98Å; Q78-F509 HydrophobicContact CG-CD2 3.89Å; Q78-F509 HydrophobicContact CG-CE1 4.13Å; Q78-F509 HydrophobicContact CG-CE2 4.04Å; Q78-F509 HydrophobicContact CG-CG 3.84Å; Q78-F509 HydrophobicContact CG-CZ 4.14Å; N507-F509 PolarHBondContact O-N 2.91Å; F509-R511 PolarHBondContact O-N 3.18Å; F509-R511 VanDerWaalsContact O-N 3.13Å
510D74.6Confident71.3Confident25 Ų2580.8 Ų80.813%0.13439%0.39CS..  trans-81.694.9-173.7-66-33.6000111.8R17 N507 G512R17-D510 IonicContact CZ-OD1 3.63Å; R17-D510 IonicContact CZ-OD2 2.77Å; R17-D510 VanDerWaalsContact CZ-OD2 3.22Å; R17-D510 IonicContact NE-OD1 3.58Å; R17-D510 IonicContact NH1-OD1 3.28Å; R17-D510 PolarHBondContact NH1-OD1 3.37Å; R17-D510 IonicContact NH1-OD2 3.76Å; R17-D510 PolarHBondContact NH1-OD2 2.98Å; R17-D510 IonicContact NH2-OD1 3.06Å; R17-D510 PolarHBondContact NH2-OD1 2.89Å; R17-D510 IonicContact NH2-OD2 3.74Å; R17-D510 PolarHBondContact NH2-OD2 3.34Å; N507-D510 WeakPolarHBondContact O-CB 3.25Å; N507-D510 PolarHBondContact O-N 3.45Å; D510-G512 PolarHBondContact O-N 3.21Å
511R63Low70.9Confident173 Ų17378 Ų7865%0.65338%0.384SS*.THydrogen-bonded Turntrans-70.6119.8177.4-63.5-177177.7-167-2.2110.3F509F509-R511 PolarHBondContact O-N 3.18Å; F509-R511 VanDerWaalsContact O-N 3.13Å
512G55Low70.2Confident65 Ų6584 Ų8467%0.6741%0.407SS*.THydrogen-bonded Turntrans107-15.1172.100000115.6D510 H514D510-G512 PolarHBondContact O-N 3.21Å; G512-H514 PolarHBondContact O-N 2.58Å
513M55.1Low69.5Low94 Ų9487 Ų8746%0.46342%0.423SS..SBendtrans-75.9111.4158.1-71.9-133.7-73.900107.6V18 P515V18-M513 HydrophobicContact CG2-CG 4.36Å; M513-P515 WeakPolarHBondContact O-CD 3.49Å
514H47Very low68.8Low181 Ų18182.6 Ų82.684%0.83841%0.406SS*.  trans-42.5108.7-171.8-79.4-79.1000113.3G512 R516G512-H514 PolarHBondContact O-N 2.58Å; H514-R516 PolarHBondContact O-N 2.84Å; H514-R516 VanDerWaalsContact O-N 3.07Å
515P48.3Very low68.5Low104 Ų10484.3 Ų84.368%0.67541%0.411SS*.  trans-69.2106.6154.430-28.2000105.5M513 Q517M513-P515 WeakPolarHBondContact O-CD 3.49Å; P515-Q517 PolarHBondContact O-N 3.25Å
516R53.8Low67.9Low241 Ų24187.2 Ų87.291%0.90943%0.426SS*.  trans-61.7104.8148.1-73.4-173.7179179.1-0.1103.8H514 S518H514-R516 PolarHBondContact O-N 2.84Å; H514-R516 VanDerWaalsContact O-N 3.07Å; R516-S518 PolarHBondContact O-N 2.98Å
517Q54.7Low67.5Low147 Ų14794 Ų9469%0.68745%0.452SS*.  trans-47.1136.1178.1-70.7169.8-38.100108.1P515 V519P515-Q517 PolarHBondContact O-N 3.25Å; Q517-V519 PolarHBondContact O-N 3.4Å
518S60.8Low67.5Low32 Ų3297.1 Ų97.122%0.22447%0.466CS..  trans-60.5145.9179.778.60000108.5R516 E520 D521 Y522R516-S518 PolarHBondContact O-N 2.98Å; S518-E520 PolarHBondContact O-N 3.31Å; S518-D521 WeakPolarHBondContact CB-OD2 3.49Å; S518-D521 PolarHBondContact O-N 2.65Å; S518-D521 VanDerWaalsContact O-N 3.14Å; S518-D521 WeakPolarHBondContact OG-CB 3.35Å; S518-D521 PolarHBondContact OG-N 3.11Å; S518-D521 PolarHBondContact OG-OD2 2.8Å; S518-Y522 PolarHBondContact O-N 2.86Å; S518-Y522 VanDerWaalsContact O-N 3.07Å
519V65.6Low67.6Low110 Ų11098.7 Ų98.767%0.66748%0.476SS*.Hα-helixtrans-61.5-30.7177.71800000109.7Q517 L523Q517-V519 PolarHBondContact O-N 3.4Å; V519-L523 HydrophobicContact CG1-CD1 3.99Å; V519-L523 HydrophobicContact CG1-CG 4.35Å; V519-L523 WeakPolarHBondContact O-CB 3.43Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 3.24Å
520E65.1Low67.8Low30 Ų3098.3 Ų98.314%0.1448%0.48CS..Hα-helixtrans-64.4-44.7173.3-59.6-172.3174.500112.8S518 L523 R524S518-E520 PolarHBondContact O-N 3.31Å; E520-L523 PolarHBondContact O-N 2.97Å; E520-R524 WeakPolarHBondContact O-CB 3.41Å; E520-R524 PolarHBondContact O-N 2.93Å
521D68.5Low68.3Low62 Ų62102 Ų10233%0.33250%0.496SS..Hα-helixtrans-63.3-43.3176.1-70.3-53000111.4S518 R524 V525S518-D521 WeakPolarHBondContact CB-OD2 3.49Å; S518-D521 PolarHBondContact O-N 2.65Å; S518-D521 VanDerWaalsContact O-N 3.14Å; S518-D521 WeakPolarHBondContact OG-CB 3.35Å; S518-D521 PolarHBondContact OG-N 3.11Å; S518-D521 PolarHBondContact OG-OD2 2.8Å; D521-R524 PolarHBondContact O-N 2.69Å; D521-R524 IonicContact OD1-CZ 2.74Å; D521-R524 IonicContact OD1-NH1 3.77Å; D521-R524 PolarHBondContact OD1-NH1 2.7Å; D521-R524 IonicContact OD1-NH2 3.14Å; D521-R524 PolarHBondContact OD1-NH2 2.96Å; D521-V525 WeakPolarHBondContact O-CG2 3.4Å; D521-V525 PolarHBondContact O-N 3.37Å
522Y69.9Low69.5Low139 Ų13999 Ų9955%0.54549%0.489SS..Hα-helixtrans-64.5-42178.1-171.2-111000111.6S518 V525 I526S518-Y522 PolarHBondContact O-N 2.86Å; S518-Y522 VanDerWaalsContact O-N 3.07Å; Y522-V525 PolarHBondContact O-N 3.09Å; Y522-I526 HydrophobicContact CD1-CD1 3.74Å; Y522-I526 HydrophobicContact CE1-CD1 3.31Å; Y522-I526 HydrophobicContact CE1-CG1 4.42Å; Y522-I526 HydrophobicContact CE2-CD1 4.36Å; Y522-I526 HydrophobicContact CG-CD1 4.43Å; Y522-I526 WeakPolarHBondContact O-CG1 3.27Å; Y522-I526 PolarHBondContact O-N 2.64Å
523L75Confident71.1Confident63 Ų63101 Ų10133%0.3348%0.484SS..Hα-helixtrans-66-35.1173.5-73.7171.1000112.7P474 L475 V519 E520 R527P474-L523 HydrophobicContact CG-CB 4.43Å; L475-L523 HydrophobicContact CD1-CD1 4.25Å; L475-L523 HydrophobicContact CD2-CD1 3.74Å; L475-L523 HydrophobicContact CG-CD1 4.13Å; V519-L523 HydrophobicContact CG1-CD1 3.99Å; V519-L523 HydrophobicContact CG1-CG 4.35Å; V519-L523 WeakPolarHBondContact O-CB 3.43Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 3.24Å; E520-L523 PolarHBondContact O-N 2.97Å; L523-R527 VanDerWaalsContact O-CB 3.26Å; L523-R527 WeakPolarHBondContact O-CB 3.33Å; L523-R527 PolarHBondContact O-N 3.21Å
524R73.8Confident72.7Confident64 Ų64102 Ų10224%0.24249%0.488CS..Hα-helixtrans-65.6-48.8175.2-174.1179.867.2-107.5-9.8110.7E520 D521 I526 R527 E528E520-R524 WeakPolarHBondContact O-CB 3.41Å; E520-R524 PolarHBondContact O-N 2.93Å; D521-R524 PolarHBondContact O-N 2.69Å; D521-R524 IonicContact OD1-CZ 2.74Å; D521-R524 IonicContact OD1-NH1 3.77Å; D521-R524 PolarHBondContact OD1-NH1 2.7Å; D521-R524 IonicContact OD1-NH2 3.14Å; D521-R524 PolarHBondContact OD1-NH2 2.96Å; R524-I526 PolarHBondContact O-N 2.99Å; R524-R527 WeakPolarHBondContact O-CB 3.42Å; R524-R527 PolarHBondContact O-N 3.04Å; R524-R527 VanDerWaalsContact O-N 3.11Å; R524-E528 WeakPolarHBondContact CD-OE1 3.29Å; R524-E528 HydrophobicContact CG-CG 4.49Å; R524-E528 VanDerWaalsContact CG-OE1 3.26Å; R524-E528 WeakPolarHBondContact CG-OE1 3.34Å; R524-E528 IonicContact NE-OE1 2.81Å; R524-E528 WeakPolarHBondContact O-CG 3.3Å; R524-E528 PolarHBondContact O-N 3.26Å
525V79.1Confident74.8Confident61 Ų6198.7 Ų98.737%0.3747%0.473SS..Hα-helixtrans-58.5-48.7176.51720000111D521 Y522 R527 E528 E529D521-V525 WeakPolarHBondContact O-CG2 3.4Å; D521-V525 PolarHBondContact O-N 3.37Å; Y522-V525 PolarHBondContact O-N 3.09Å; V525-R527 VanDerWaalsContact C-N 3.26Å; V525-R527 PolarHBondContact O-N 2.77Å; V525-E528 PolarHBondContact O-N 2.74Å; V525-E529 HydrophobicContact CG1-CG 4.37Å; V525-E529 WeakPolarHBondContact O-CB 3.29Å; V525-E529 WeakPolarHBondContact O-CG 3.43Å; V525-E529 PolarHBondContact O-N 3.31Å
526I78.8Confident76.9Confident61 Ų6198.8 Ų98.831%0.31346%0.464SS..Hα-helixtrans-58.6-39.1175.9-74.1172.3000111.6Y522 R524 T530Y522-I526 HydrophobicContact CD1-CD1 3.74Å; Y522-I526 HydrophobicContact CE1-CD1 3.31Å; Y522-I526 HydrophobicContact CE1-CG1 4.42Å; Y522-I526 HydrophobicContact CE2-CD1 4.36Å; Y522-I526 HydrophobicContact CG-CD1 4.43Å; Y522-I526 WeakPolarHBondContact O-CG1 3.27Å; Y522-I526 PolarHBondContact O-N 2.64Å; R524-I526 PolarHBondContact O-N 2.99Å; I526-T530 VanDerWaalsContact O-CB 3.27Å; I526-T530 WeakPolarHBondContact O-CB 3.35Å; I526-T530 PolarHBondContact O-N 3.06Å; I526-T530 PolarHBondContact O-OG1 3.3Å
527R81.4Confident78.7Confident150 Ų15091.8 Ų91.857%0.56644%0.444SS*.Hα-helixtrans-68.9-41.1179.3-173.1179.8-177-179.11.6112L523 R524 V525 T530 Q531L523-R527 VanDerWaalsContact O-CB 3.26Å; L523-R527 WeakPolarHBondContact O-CB 3.33Å; L523-R527 PolarHBondContact O-N 3.21Å; R524-R527 WeakPolarHBondContact O-CB 3.42Å; R524-R527 PolarHBondContact O-N 3.04Å; R524-R527 VanDerWaalsContact O-N 3.11Å; V525-R527 VanDerWaalsContact C-N 3.26Å; V525-R527 PolarHBondContact O-N 2.77Å; R527-T530 PolarHBondContact O-N 3.48Å; R527-Q531 WeakPolarHBondContact O-CB 3.35Å; R527-Q531 PolarHBondContact O-N 2.83Å
528E83.7Confident80.5Confident92 Ų9289 Ų8943%0.4344%0.435SS..Hα-helixtrans-63.9-46.2174.6-72168.1-170.800111R524 V525 T530 Q531 Q532R524-E528 WeakPolarHBondContact CD-OE1 3.29Å; R524-E528 HydrophobicContact CG-CG 4.49Å; R524-E528 VanDerWaalsContact CG-OE1 3.26Å; R524-E528 WeakPolarHBondContact CG-OE1 3.34Å; R524-E528 IonicContact NE-OE1 2.81Å; R524-E528 WeakPolarHBondContact O-CG 3.3Å; R524-E528 PolarHBondContact O-N 3.26Å; V525-E528 PolarHBondContact O-N 2.74Å; E528-T530 PolarHBondContact O-N 2.77Å; E528-Q531 PolarHBondContact O-N 3.22Å; E528-Q532 VanDerWaalsContact O-CG 3.3Å; E528-Q532 WeakPolarHBondContact O-CG 3.28Å; E528-Q532 PolarHBondContact O-N 3.28Å
529E84.1Confident82Confident107 Ų10790.8 Ų90.850%0.545%0.447SS..Hα-helixtrans-60.1-43.6173.2-72.4176.7172.400111.8V525 Q532 L533V525-E529 HydrophobicContact CG1-CG 4.37Å; V525-E529 WeakPolarHBondContact O-CB 3.29Å; V525-E529 WeakPolarHBondContact O-CG 3.43Å; V525-E529 PolarHBondContact O-N 3.31Å; E529-Q532 PolarHBondContact O-N 2.91Å; E529-L533 WeakPolarHBondContact O-CB 3.49Å; E529-L533 VanDerWaalsContact O-CG 3.26Å; E529-L533 WeakPolarHBondContact O-CG 3.29Å; E529-L533 PolarHBondContact O-N 2.91Å
530T85.6Confident83.2Confident64 Ų6491.2 Ų91.239%0.39344%0.441SS..Hα-helixtrans-62.3-45.5177.7-58.90000111.2I526 R527 E528 L533 E534I526-T530 VanDerWaalsContact O-CB 3.27Å; I526-T530 WeakPolarHBondContact O-CB 3.35Å; I526-T530 PolarHBondContact O-N 3.06Å; I526-T530 PolarHBondContact O-OG1 3.3Å; R527-T530 PolarHBondContact O-N 3.48Å; E528-T530 PolarHBondContact O-N 2.77Å; T530-L533 PolarHBondContact O-N 2.93Å; T530-E534 WeakPolarHBondContact O-CG 3.35Å; T530-E534 PolarHBondContact O-N 3.24Å
531Q85.6Confident84.6Confident102 Ų10295 Ų9548%0.47746%0.457SS..Hα-helixtrans-63.2-43.1177.2-176.4-179.4-24.500111.6R527 E528 L533 E534 E535R527-Q531 WeakPolarHBondContact O-CB 3.35Å; R527-Q531 PolarHBondContact O-N 2.83Å; E528-Q531 PolarHBondContact O-N 3.22Å; Q531-L533 VanDerWaalsContact C-N 3.29Å; Q531-L533 PolarHBondContact O-N 2.96Å; Q531-E534 PolarHBondContact O-N 3.39Å; Q531-E535 WeakPolarHBondContact CG-OE1 3.29Å; Q531-E535 PolarHBondContact NE2-OE1 2.96Å; Q531-E535 WeakPolarHBondContact O-CG 3.47Å; Q531-E535 PolarHBondContact O-N 3.3Å
532Q88.3Confident85.7Confident109 Ų10998 Ų9851%0.50947%0.469SS..Hα-helixtrans-61.2-38.4175.7-72.3173.127.500112E528 E529 Q536E528-Q532 VanDerWaalsContact O-CG 3.3Å; E528-Q532 WeakPolarHBondContact O-CG 3.28Å; E528-Q532 PolarHBondContact O-N 3.28Å; E529-Q532 PolarHBondContact O-N 2.91Å; Q532-Q536 WeakPolarHBondContact O-CB 3.45Å; Q532-Q536 VanDerWaalsContact O-CG 3.24Å; Q532-Q536 WeakPolarHBondContact O-CG 3.32Å; Q532-Q536 PolarHBondContact O-N 2.83Å
533L88.1Confident86.7Confident108 Ų10897.5 Ų97.557%0.56547%0.47SS*.Hα-helixtrans-69.1-36.2175.5-71.3168.4000112.4E529 T530 Q531 L537E529-L533 WeakPolarHBondContact O-CB 3.49Å; E529-L533 VanDerWaalsContact O-CG 3.26Å; E529-L533 WeakPolarHBondContact O-CG 3.29Å; E529-L533 PolarHBondContact O-N 2.91Å; T530-L533 PolarHBondContact O-N 2.93Å; Q531-L533 VanDerWaalsContact C-N 3.29Å; Q531-L533 PolarHBondContact O-N 2.96Å; L533-L537 VanDerWaalsContact O-CB 3.25Å; L533-L537 WeakPolarHBondContact O-CB 3.29Å; L533-L537 PolarHBondContact O-N 3.35Å
534E89.9Confident87.5Confident115 Ų11598.7 Ų98.754%0.53748%0.476SS..Hα-helixtrans-65.4-45.4173.2-73.5177.516100111.7T530 Q531 Q536 L537 D538T530-E534 WeakPolarHBondContact O-CG 3.35Å; T530-E534 PolarHBondContact O-N 3.24Å; Q531-E534 PolarHBondContact O-N 3.39Å; E534-Q536 PolarHBondContact O-N 3.1Å; E534-L537 WeakPolarHBondContact O-CB 3.38Å; E534-L537 PolarHBondContact O-N 3.34Å; E534-D538 PolarHBondContact O-N 3.12Å
535E91.6Very high88.2Confident112 Ų11298.4 Ų98.452%0.52349%0.487SS..Hα-helixtrans-62.4-40.5175.7-71.3173.5-165.700112Q531 S539Q531-E535 WeakPolarHBondContact CG-OE1 3.29Å; Q531-E535 PolarHBondContact NE2-OE1 2.96Å; Q531-E535 WeakPolarHBondContact O-CG 3.47Å; Q531-E535 PolarHBondContact O-N 3.3Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 2.97Å
536Q91.6Very high88.7Confident105 Ų10599.6 Ų99.649%0.49149%0.488SS..Hα-helixtrans-65.1-41.5172.8-7517519.600112.4Q532 E534 D538 S539 H540Q532-Q536 WeakPolarHBondContact O-CB 3.45Å; Q532-Q536 VanDerWaalsContact O-CG 3.24Å; Q532-Q536 WeakPolarHBondContact O-CG 3.32Å; Q532-Q536 PolarHBondContact O-N 2.83Å; E534-Q536 PolarHBondContact O-N 3.1Å; Q536-D538 PolarHBondContact O-N 3.36Å; Q536-S539 PolarHBondContact O-N 3.45Å; Q536-H540 WeakPolarHBondContact O-CB 3.47Å; Q536-H540 PolarHBondContact O-N 3.32Å
537L90.9Very high89.2Confident94 Ų94100.9 Ų100.949%0.49250%0.496SS..Hα-helixtrans-61.7-43.4178.1177.766.3000111.3L533 E534 H540 K541L533-L537 VanDerWaalsContact O-CB 3.25Å; L533-L537 WeakPolarHBondContact O-CB 3.29Å; L533-L537 PolarHBondContact O-N 3.35Å; E534-L537 WeakPolarHBondContact O-CB 3.38Å; E534-L537 PolarHBondContact O-N 3.34Å; L537-H540 PolarHBondContact O-N 3.41Å; L537-K541 WeakPolarHBondContact O-CG 3.22Å; L537-K541 PolarHBondContact O-N 3.34Å
538D92.1Very high89.4Confident90 Ų90100.4 Ų100.448%0.48150%0.498SS..Hα-helixtrans-71.4-38.8179-77.1-7.5000112.3E534 Q536 H540 K541 Q542E534-D538 PolarHBondContact O-N 3.12Å; Q536-D538 PolarHBondContact O-N 3.36Å; D538-H540 VanDerWaalsContact C-N 3.32Å; D538-H540 PolarHBondContact O-N 3.44Å; D538-K541 PolarHBondContact O-N 2.9Å; D538-K541 WeakPolarHBondContact OD1-CD 3.36Å; D538-K541 IonicContact OD1-NZ 2.64Å; D538-K541 PolarHBondContact OD1-NZ 3.09Å; D538-Q542 WeakPolarHBondContact O-CB 3.16Å; D538-Q542 PolarHBondContact O-N 3.2Å
539S92.9Very high89.2Confident69 Ų69102 Ų10248%0.48351%0.505SS..Hα-helixtrans-56.8-44168.91790000112.2E535 Q536 Q542 K543E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 2.97Å; Q536-S539 PolarHBondContact O-N 3.45Å; S539-Q542 PolarHBondContact O-N 3.32Å; S539-K543 WeakPolarHBondContact O-CB 3.39Å; S539-K543 PolarHBondContact O-N 3.28Å
540H92Very high88.9Confident119 Ų119102.8 Ų102.855%0.55151%0.509SS*.Hα-helixtrans-68.8-39.1175.9-73.3-2.9000113.1Q536 L537 D538 Q542 K543 I544Q536-H540 WeakPolarHBondContact O-CB 3.47Å; Q536-H540 PolarHBondContact O-N 3.32Å; L537-H540 PolarHBondContact O-N 3.41Å; D538-H540 VanDerWaalsContact C-N 3.32Å; D538-H540 PolarHBondContact O-N 3.44Å; H540-Q542 VanDerWaalsContact C-N 3.35Å; H540-Q542 PolarHBondContact O-N 2.91Å; H540-K543 PolarHBondContact O-N 2.9Å; H540-I544 WeakPolarHBondContact O-CB 3.16Å; H540-I544 WeakPolarHBondContact O-CD1 3.33Å; H540-I544 VanDerWaalsContact O-CG1 3.23Å; H540-I544 WeakPolarHBondContact O-CG1 3.49Å; H540-I544 PolarHBondContact O-N 2.89Å
541K92.9Very high88.3Confident109 Ų109105.8 Ų105.847%0.47452%0.518SS..Hα-helixtrans-59.8-44.9172.7-74.2170.1-167.5150.30111.4L537 D538 I544 A545L537-K541 WeakPolarHBondContact O-CG 3.22Å; L537-K541 PolarHBondContact O-N 3.34Å; D538-K541 PolarHBondContact O-N 2.9Å; D538-K541 WeakPolarHBondContact OD1-CD 3.36Å; D538-K541 IonicContact OD1-NZ 2.64Å; D538-K541 PolarHBondContact OD1-NZ 3.09Å; K541-I544 PolarHBondContact O-N 3.45Å; K541-A545 PolarHBondContact O-N 3.48Å
542Q91.8Very high87.4Confident124 Ų124102.8 Ų102.858%0.57952%0.515SS*.Hα-helixtrans-61.4-47.3177.9-175.7178.1-22.400110.8D538 S539 H540 I544 A545 E546D538-Q542 WeakPolarHBondContact O-CB 3.16Å; D538-Q542 PolarHBondContact O-N 3.2Å; S539-Q542 PolarHBondContact O-N 3.32Å; H540-Q542 VanDerWaalsContact C-N 3.35Å; H540-Q542 PolarHBondContact O-N 2.91Å; Q542-I544 VanDerWaalsContact C-N 3.32Å; Q542-I544 PolarHBondContact O-N 3.02Å; Q542-A545 WeakPolarHBondContact O-CA 3.49Å; Q542-A545 WeakPolarHBondContact O-CB 3.3Å; Q542-A545 PolarHBondContact O-N 3.13Å; Q542-E546 PolarHBondContact NE2-OE1 3.34Å; Q542-E546 VanDerWaalsContact NE2-OE1 3.09Å; Q542-E546 WeakPolarHBondContact O-CG 3.32Å; Q542-E546 PolarHBondContact O-N 3.3Å
543K91.7Very high86Confident129 Ų129106.1 Ų106.156%0.56152%0.523SS*.Hα-helixtrans-64.3-33.6177.7-164.9153-169.9159.50113.5S539 H540 A545 L547S539-K543 WeakPolarHBondContact O-CB 3.39Å; S539-K543 PolarHBondContact O-N 3.28Å; H540-K543 PolarHBondContact O-N 2.9Å; K543-A545 VanDerWaalsContact C-N 3.35Å; K543-L547 HydrophobicContact CG-CD1 4.37Å; K543-L547 WeakPolarHBondContact O-CB 3.34Å; K543-L547 VanDerWaalsContact O-CG 3.28Å; K543-L547 WeakPolarHBondContact O-CG 3.42Å; K543-L547 PolarHBondContact O-N 3.21Å
544I91.6Very high84.6Confident89 Ų89104.2 Ų104.246%0.45652%0.518SS..Hα-helixtrans-67.2-36.1171.3-71.5164.5000111.1H540 K541 Q542 K548H540-I544 WeakPolarHBondContact O-CB 3.16Å; H540-I544 WeakPolarHBondContact O-CD1 3.33Å; H540-I544 VanDerWaalsContact O-CG1 3.23Å; H540-I544 WeakPolarHBondContact O-CG1 3.49Å; H540-I544 PolarHBondContact O-N 2.89Å; K541-I544 PolarHBondContact O-N 3.45Å; Q542-I544 VanDerWaalsContact C-N 3.32Å; Q542-I544 PolarHBondContact O-N 3.02Å; I544-K548 HydrophobicContact CG2-CD 4.13Å; I544-K548 WeakPolarHBondContact O-CB 3.37Å; I544-K548 VanDerWaalsContact O-CG 3.25Å; I544-K548 WeakPolarHBondContact O-CG 3.35Å; I544-K548 PolarHBondContact O-N 3.4Å
545A89.3Confident83.1Confident57 Ų57102.8 Ų102.847%0.47151%0.514SS..Hα-helixtrans-67.9-44.3175.700000111.7K541 Q542 K543 K548 Q549K541-A545 PolarHBondContact O-N 3.48Å; Q542-A545 WeakPolarHBondContact O-CA 3.49Å; Q542-A545 WeakPolarHBondContact O-CB 3.3Å; Q542-A545 PolarHBondContact O-N 3.13Å; K543-A545 VanDerWaalsContact C-N 3.35Å; A545-K548 PolarHBondContact O-N 2.76Å; A545-Q549 WeakPolarHBondContact O-CB 3.48Å; A545-Q549 PolarHBondContact O-N 3.05Å
546E89Confident81.5Confident86 Ų86100 Ų10040%0.40251%0.51SS..Hα-helixtrans-57.1-53.5173.9-70.1164.6-175.800111.1Q542 K548 Q549 E550Q542-E546 PolarHBondContact NE2-OE1 3.34Å; Q542-E546 VanDerWaalsContact NE2-OE1 3.09Å; Q542-E546 WeakPolarHBondContact O-CG 3.32Å; Q542-E546 PolarHBondContact O-N 3.3Å; E546-K548 VanDerWaalsContact C-N 3.29Å; E546-K548 PolarHBondContact O-N 3.46Å; E546-Q549 WeakPolarHBondContact O-CA 3.37Å; E546-Q549 WeakPolarHBondContact O-CB 3.48Å; E546-Q549 PolarHBondContact O-N 3.32Å; E546-E550 PolarHBondContact O-N 3.05Å
547L88.5Confident79.8Confident89 Ų89101.8 Ų101.847%0.46652%0.519SS..Hα-helixtrans-61.2-34.1178.3-72.1168.6000113.2K543 Q551K543-L547 HydrophobicContact CG-CD1 4.37Å; K543-L547 WeakPolarHBondContact O-CB 3.34Å; K543-L547 VanDerWaalsContact O-CG 3.28Å; K543-L547 WeakPolarHBondContact O-CG 3.42Å; K543-L547 PolarHBondContact O-N 3.21Å; L547-Q551 WeakPolarHBondContact O-CB 3.16Å; L547-Q551 WeakPolarHBondContact O-CG 2.98Å; L547-Q551 PolarHBondContact O-N 3.27Å
548K86.1Confident78.1Confident140 Ų140104.6 Ų104.661%0.60952%0.522SS*.Hα-helixtrans-69.7-32.9173.1-79.6176.3178.5-178.40112.4I544 A545 E546 G552I544-K548 HydrophobicContact CG2-CD 4.13Å; I544-K548 WeakPolarHBondContact O-CB 3.37Å; I544-K548 VanDerWaalsContact O-CG 3.25Å; I544-K548 WeakPolarHBondContact O-CG 3.35Å; I544-K548 PolarHBondContact O-N 3.4Å; A545-K548 PolarHBondContact O-N 2.76Å; E546-K548 VanDerWaalsContact C-N 3.29Å; E546-K548 PolarHBondContact O-N 3.46Å; K548-G552 PolarHBondContact O-N 3.1Å
549Q80.1Confident76.3Confident126 Ų126103.2 Ų103.259%0.58952%0.524SS*.Hα-helixtrans-71-41.6176.3-157.8170.821.500110.7A545 E546 G552 W553A545-Q549 WeakPolarHBondContact O-CB 3.48Å; A545-Q549 PolarHBondContact O-N 3.05Å; E546-Q549 WeakPolarHBondContact O-CA 3.37Å; E546-Q549 WeakPolarHBondContact O-CB 3.48Å; E546-Q549 PolarHBondContact O-N 3.32Å; Q549-G552 PolarHBondContact O-N 3.46Å; Q549-W553 PolarHBondContact O-N 2.91Å
550E78.3Confident74.4Confident122 Ų122103 Ų10357%0.5753%0.526SS*.Hα-helixtrans-63-43.2171.7-68.4-178.8163.100112.4E546 W553 S554E546-E550 PolarHBondContact O-N 3.05Å; E550-W553 PolarHBondContact O-N 3.12Å; E550-S554 WeakPolarHBondContact O-CB 3.4Å; E550-S554 PolarHBondContact O-N 2.78Å
551Q72.8Confident72.5Confident127 Ų127100.3 Ų100.359%0.59352%0.524SS*.Hα-helixtrans-62.5-41.4172.2-78.9-176.9-18.700112L547 W553 S554 D555L547-Q551 WeakPolarHBondContact O-CB 3.16Å; L547-Q551 WeakPolarHBondContact O-CG 2.98Å; L547-Q551 PolarHBondContact O-N 3.27Å; Q551-W553 VanDerWaalsContact C-N 3.33Å; Q551-W553 PolarHBondContact O-N 2.78Å; Q551-S554 PolarHBondContact O-N 3.08Å; Q551-D555 WeakPolarHBondContact O-CB 3.27Å; Q551-D555 PolarHBondContact O-N 3.46Å
552G65.9Low70.3Confident39 Ų39102.7 Ų102.740%0.40254%0.535SS..Hα-helixtrans-60.7-38.517500000113.2K548 Q549 A556K548-G552 PolarHBondContact O-N 3.1Å; Q549-G552 PolarHBondContact O-N 3.46Å; G552-A556 WeakPolarHBondContact O-CB 3.47Å; G552-A556 PolarHBondContact O-N 3.14Å
553W58.5Low68Low180 Ų180104.1 Ų104.168%0.68255%0.547SS*.Hα-helixtrans-69.7-41172.1-73.7-3.3000112.6Q549 E550 Q551 A556 H557Q549-W553 PolarHBondContact O-N 2.91Å; E550-W553 PolarHBondContact O-N 3.12Å; Q551-W553 VanDerWaalsContact C-N 3.33Å; Q551-W553 PolarHBondContact O-N 2.78Å; W553-A556 PolarHBondContact O-N 3.34Å; W553-H557 WeakPolarHBondContact O-CB 3.36Å; W553-H557 PolarHBondContact O-N 3.46Å
554S58.8Low65.8Low67 Ų67106.5 Ų106.547%0.46956%0.56SS.*Hα-helixtrans-63.1-44176.8-170.60000112.5E550 Q551 H557 R558E550-S554 WeakPolarHBondContact O-CB 3.4Å; E550-S554 PolarHBondContact O-N 2.78Å; Q551-S554 PolarHBondContact O-N 3.08Å; S554-H557 PolarHBondContact O-N 3.38Å; S554-R558 PolarHBondContact O-N 3.45Å
555D58.4Low63.3Low85 Ų85106.1 Ų106.146%0.45557%0.565SS.*Hα-helixtrans-74.2-32.4177.2-76.5-29.1000112.3Q551 R558 A559Q551-D555 WeakPolarHBondContact O-CB 3.27Å; Q551-D555 PolarHBondContact O-N 3.46Å; D555-R558 PolarHBondContact O-N 3.25Å; D555-R558 IonicContact OD1-CZ 3.69Å; D555-R558 IonicContact OD1-NH1 2.77Å; D555-R558 PolarHBondContact OD1-NH1 3.05Å; D555-A559 WeakPolarHBondContact O-CB 3.39Å; D555-A559 PolarHBondContact O-N 3.38Å
556A57.5Low60.8Low53 Ų53109.1 Ų109.144%0.43858%0.582SS.*Hα-helixtrans-64.9-39.5169.300000112.2G552 W553 A559 A560G552-A556 WeakPolarHBondContact O-CB 3.47Å; G552-A556 PolarHBondContact O-N 3.14Å; W553-A556 PolarHBondContact O-N 3.34Å; A556-A559 PolarHBondContact O-N 3.14Å; A556-A560 WeakPolarHBondContact O-CB 2.92Å; A556-A560 PolarHBondContact O-N 3.01Å
557H57.1Low58.3Low144 Ų144111.4 Ų111.467%0.66760%0.602SS**Hα-helixtrans-68.2-37.6173-77.28.4000112.3W553 S554 A561W553-H557 WeakPolarHBondContact O-CB 3.36Å; W553-H557 PolarHBondContact O-N 3.46Å; S554-H557 PolarHBondContact O-N 3.38Å; H557-A561 WeakPolarHBondContact O-CB 3.27Å; H557-A561 PolarHBondContact O-N 2.68Å
558R54.1Low55.9Low152 Ų152111.7 Ų111.757%0.57462%0.618SS**Hα-helixtrans-66-39.5171.8-80.4171.962-153.84.6112.6S554 D555 A561 F562S554-R558 PolarHBondContact O-N 3.45Å; D555-R558 PolarHBondContact O-N 3.25Å; D555-R558 IonicContact OD1-CZ 3.69Å; D555-R558 IonicContact OD1-NH1 2.77Å; D555-R558 PolarHBondContact OD1-NH1 3.05Å; R558-A561 PolarHBondContact O-N 2.99Å; R558-F562 PolarHBondContact O-N 2.75Å
559A54.4Low53.4Low62 Ų62116.9 Ų116.951%0.51263%0.633SS.*Hα-helixtrans-64.4-45.3175.600000111.4D555 A556 A561 F562 D563D555-A559 WeakPolarHBondContact O-CB 3.39Å; D555-A559 PolarHBondContact O-N 3.38Å; A556-A559 PolarHBondContact O-N 3.14Å; A559-A561 VanDerWaalsContact C-N 3.3Å; A559-A561 PolarHBondContact O-N 3.37Å; A559-F562 PolarHBondContact O-N 3.2Å; A559-D563 PolarHBondContact O-N 3.42Å
560A53.7Low51Low64 Ų64114.8 Ų114.853%0.52964%0.637SS.*Hα-helixtrans-63.2-32.9174.500000113.2A556A556-A560 WeakPolarHBondContact O-CB 2.92Å; A556-A560 PolarHBondContact O-N 3.01Å
561A51.1Low48.8Very low62 Ų62117.6 Ų117.651%0.51266%0.656SS.*Hα-helixtrans-74.8-29.8174.400000113.4H557 R558 A559H557-A561 WeakPolarHBondContact O-CB 3.27Å; H557-A561 PolarHBondContact O-N 2.68Å; R558-A561 PolarHBondContact O-N 2.99Å; A559-A561 VanDerWaalsContact C-N 3.3Å; A559-A561 PolarHBondContact O-N 3.37Å
562F47Very low46.6Very low160 Ų160115 Ų11570%0.70266%0.663SS**Hα-helixtrans-74.9-27.2176.7-103.7-89.7000113.3R558 A559 Q564 S565R558-F562 PolarHBondContact O-N 2.75Å; A559-F562 PolarHBondContact O-N 3.2Å; F562-Q564 PolarHBondContact O-N 3.48Å; F562-S565 PolarHBondContact O-N 2.74Å
563D43.2Very low44.8Very low154 Ų154122.2 Ų122.282%0.82468%0.683SS**THydrogen-bonded Turntrans-71.8-5.9176-147.126.7000113.2A559A559-D563 PolarHBondContact O-N 3.42Å
564Q47.2Very low43.4Very low179 Ų179120.1 Ų120.184%0.83669%0.686SS**THydrogen-bonded Turntrans-1086174.1-68.1-166.4-6.200114.7F562F562-Q564 PolarHBondContact O-N 3.48Å
565S38.4Very low42.1Very low80 Ų80124.7 Ų124.756%0.55970%0.704SS**  trans-137.679.6-178.2-165.50000113.6F562 T567F562-S565 PolarHBondContact O-N 2.74Å; S565-T567 PolarHBondContact O-N 3.35Å
566S36.1Very low40.6Very low120 Ų120124 Ų12484%0.83971%0.71SS**  trans-94.775.1171.249.80000112.2
567T37.9Very low39.3Very low134 Ų134129.6 Ų129.682%0.82273%0.732SS**  trans-145.8128.4162.7-8.60000113.7S565S565-T567 PolarHBondContact O-N 3.35Å
568A37.4Very low38Very low95 Ų95126.3 Ų126.379%0.78573%0.73SS**  trans-79149.3-17800000113.3
569R32.6Very low36.9Very low249 Ų249126.4 Ų126.494%0.9474%0.741SS**  -159.3144.4128.8-118.3171.1179.7143.70.4113
570A31.3Very low36Very low82 Ų82129 Ų12968%0.67875%0.751SS**  trans-107.4167.9178.700000111.8
571L30.4Very low35.2Very low182 Ų182131.3 Ų131.395%0.95376%0.76SS**  trans70.5129.5165.4-80.9127.5000119
572G27.7Very low34.2Very low73 Ų73135.6 Ų135.675%0.75377%0.77SS**  trans156.359.3148.200000119.4
573K28.4Very low33.3Very low189 Ų189134.3 Ų134.382%0.82277%0.77SS**  trans7.3126.3150.4-65.2178173.3-1800118.6
574N28.7Very low32.8Very low137 Ų137138 Ų13873%0.73377%0.774SS**  162.115199-94.7-34.9000114.9
575L31Very low32.1Very low162 Ų162136.1 Ų136.185%0.84878%0.776SS**  trans64.7143.8155.9-62.1150.6000117.6
576A27.9Very low31.6Very low71 Ų71135.8 Ų135.859%0.58778%0.784SS**  cis-172148.3-14.600000110.1
577L30.3Very low31.2Very low171 Ų171135.2 Ų135.290%0.89578%0.781SS**  trans52.9143.6153.7-82.975000118.3
578A28.8Very low30.7Very low75 Ų75137.1 Ų137.162%0.6279%0.785SS**  cis-160.9169.18.900000107.8
579N31.8Very low30.3Very low153 Ų153140.1 Ų140.182%0.81879%0.787SS**  cis-143.5165.65.6-92.3-42.5000110.3
580T35Very low30Very low117 Ų117133.1 Ų133.172%0.71878%0.782SS**  trans-124.8157.7155.446.30000107.5
581P37.9Very low29.8Very low112 Ų112134.8 Ų134.873%0.72779%0.789SS**  -131.2140.284.77.116.9000113.1
582Q29Very low29.6Very low152 Ų152132.6 Ų132.671%0.7178%0.783SS**  62.2108.284.2-61.2-179.9-69.800112
583D29.3Very low29.7Very low133 Ų133135.4 Ų135.471%0.71179%0.788SS**  112.2124.265.8-88.6-34.3000106.7
584Y31.4Very low29.5Very low232 Ų232130.3 Ų130.391%0.9179%0.789SS**  trans-167.4118.6136.3-111.1-71.3000110.3
585T33.1Very low29.4Very low140 Ų140129 Ų12986%0.85980%0.798SS**  trans-68.2128.6166.246.50000110.3
586G28.4Very low29.2Very low72 Ų72125.5 Ų125.574%0.74279%0.792SS**  trans-135.1109.4179.400000112.3
587S26.3Very low29.1Very low109 Ų109130.3 Ų130.376%0.76281%0.808SS**  trans-54.4136.7179.2-175.50000114
588L28.3Very low28.9Very low174 Ų174125.5 Ų125.591%0.91180%0.799SS**  trans-102.1111.7163.1-82.7167.4000109.4
589L28.4Very low29.2Very low157 Ų157127.9 Ų127.982%0.82281%0.809SS**  trans-108.5139.7168.3-89.4168.5000110.1
590A26.8Very low29Very low102 Ų102128.9 Ų128.984%0.84381%0.813SS**  trans-78.4154.3177.100000112
591S27.3Very low28.5Very low118 Ų118129.2 Ų129.283%0.82581%0.814SS**  trans-143.9108.2169.544.90000112.1
592T25.5Very low27.9Very low135 Ų135132.2 Ų132.283%0.82882%0.823SS**  trans-83.5143.7160.543.40000110.4
593P30.8Very low27.6Very low133 Ų133129.3 Ų129.386%0.86483%0.825SS**  trans-87.8128.2165.731.4-26.9000111.3
594G23Very low28Very low81 Ų81128.8 Ų128.884%0.83583%0.829SS**  trans-117.4163.4170.800000111.6
595A26.7Very low27.7Very low111 Ų111127 Ų12792%0.91783%0.829SS**  trans-104.1162.1-170.400000114.8
596A26.3Very low27.4Very low87 Ų87127.9 Ų127.972%0.71983%0.829SS**  trans-166.8118.8155.400000107.3
597D27.3Very low27.8Very low173 Ų173129.2 Ų129.293%0.92582%0.824SS**  60.2129.184.9-74.4-21.8000114.3
598G24.7Very low27.8Very low70 Ų70130.3 Ų130.372%0.72282%0.822SS**  cis-176.5-141.81.500000107.9
599P36.2Very low27.7Very low125 Ų125129.4 Ų129.481%0.81281%0.813SS**  -121.2176.6-52.640.9-29.2000112
600L26.8Very low27.7Very low174 Ų174128.2 Ų128.291%0.91181%0.812SS**  trans-176.3162.6137.6-102.8168.9000112.7
601V24.3Very low27.6Very low123 Ų123127.4 Ų127.475%0.74581%0.806SS**  trans-118.8142.1-163.8168.40000110.9
602L25.5Very low27.7Very low175 Ų175129.5 Ų129.592%0.91681%0.807SS**  trans179.8164.9133.1-96.8163.2000112.1
603A24.1Very low28Very low91 Ų91127.4 Ų127.475%0.75280%0.796SS**  trans-118.2-159.8-160.200000113.3
604P35.9Very low27.8Very low122 Ų122129.3 Ų129.379%0.79280%0.799SS**  trans-101.2161.8-132.941.4-32.7000115.7
605Q26Very low28Very low195 Ų195133.4 Ų133.491%0.91180%0.801SS**  trans-146.5116.9165.2-69.6-170.6-2200112.9
606D26Very low28.1Very low158 Ų158133.7 Ų133.785%0.84580%0.797SS**  trans-90.2168.5137.3-94.5-40.3000107
607P37.8Very low28.2Very low101 Ų101137.3 Ų137.366%0.65680%0.804SS**  cis-147.9-172.832.243.6-23.2000117.6
608D25.7Very low28.2Very low132 Ų132132.7 Ų132.771%0.70680%0.797SS**  trans64.4149.9150.7-76.1-1.4000119
609Q27Very low28.4Very low155 Ų155134.5 Ų134.572%0.72480%0.798SS**  cis-155.2158.3-6.4-101.9160.641.800104.1
610T27.4Very low28Very low131 Ų131136.1 Ų136.180%0.80480%0.8SS**  -164.3159.557.642.50000110.7
611A26Very low28.2Very low86 Ų86133.5 Ų133.571%0.71179%0.794SS**  trans-91.4156.2168.700000111.9
612D28.6Very low28.4Very low161 Ų161136.7 Ų136.786%0.86180%0.801SS**  -164.2154.7113.8-113.1-11000112.5
613P31.3Very low28.8Very low92 Ų92133.2 Ų133.260%0.59779%0.791SS**  trans-99.6155.5-169.438.2-34.3000113.6
614N26.7Very low29Very low173 Ų173132.6 Ų132.693%0.92579%0.793SS**  trans-133.299.8155.5-95.5-52.8000110.3
615L28.2Very low28.8Very low167 Ų167134.1 Ų134.187%0.87479%0.793SS**  trans-84.6116167.9-72.4162.1000108.6
616S28.9Very low29.1Very low117 Ų117128.8 Ų128.882%0.81878%0.782SS**  trans-113.3109.2161.357.50000110.1G618S616-G618 PolarHBondContact O-N 3.25Å
617N27.8Very low29.1Very low163 Ų163128.4 Ų128.487%0.87278%0.78SS**  trans-65.1113167.1-82-23.9000109.2
618G26.9Very low28.7Very low76 Ų76129.2 Ų129.278%0.78478%0.783SS**  trans-107.791.6164.900000109.8S616S616-G618 PolarHBondContact O-N 3.25Å
619S29.2Very low28.9Very low107 Ų107127.6 Ų127.675%0.74878%0.782SS**  trans-100.897.6178.356.90000110.8P621S619-P621 WeakPolarHBondContact O-CD 3.39Å
620D27.5Very low28.9Very low160 Ų160125.7 Ų125.786%0.85678%0.784SS**  trans-99.2117.2173.5-79.5-36000111.6
621P31.1Very low29Very low118 Ų118130.8 Ų130.877%0.76679%0.789SS**  trans-9987.3176.836-30.1000111.5S619 S623S619-P621 WeakPolarHBondContact O-CD 3.39Å; P621-S623 PolarHBondContact O-N 2.79Å
622E29.4Very low29.1Very low191 Ų191131.9 Ų131.989%0.89379%0.791SS**  trans-94.576.8172.9-156.9176-15600112G624E622-G624 PolarHBondContact O-N 3.37Å; E622-G624 VanDerWaalsContact O-N 3.1Å
623S33.1Very low29.2Very low102 Ų102130.2 Ų130.271%0.71379%0.79SS**  trans-79.285.9174.761.50000111.5P621 I625P621-S623 PolarHBondContact O-N 2.79Å; S623-I625 PolarHBondContact O-N 3.24Å
624G29.2Very low28.9Very low77 Ų77134 Ų13479%0.79480%0.804SS**  trans-69.881.8174.500000113.6E622 A626E622-G624 PolarHBondContact O-N 3.37Å; E622-G624 VanDerWaalsContact O-N 3.1Å; G624-A626 PolarHBondContact O-N 3.04Å
625I30.6Very low29.1Very low154 Ų154131.4 Ų131.479%0.7980%0.799SS**  trans-7899.2164.7-59.7178.5000107.8S623 D627S623-I625 PolarHBondContact O-N 3.24Å; I625-D627 PolarHBondContact O-N 3.37Å
626A32.4Very low29.1Very low84 Ų84132 Ų13269%0.69480%0.797SS**  trans-76.5113.4169.100000109.4G624 V628G624-A626 PolarHBondContact O-N 3.04Å; A626-V628 WeakPolarHBondContact O-CG2 3.31Å
627D26.7Very low29.1Very low150 Ų150134.4 Ų134.480%0.80280%0.801SS**  trans-68.1127.7176.8-159.3-4.9000110.4I625I625-D627 PolarHBondContact O-N 3.37Å
628V30.1Very low29.3Very low117 Ų117132.3 Ų132.371%0.70980%0.799SS**  trans-115.670.4-171.6-1650000110.8A626 C630A626-V628 WeakPolarHBondContact O-CG2 3.31Å; V628-C630 PolarHBondContact O-N 3.29Å
629S28Very low29.5Very low99 Ų99133.8 Ų133.869%0.69280%0.804SS**  trans-93.366.4174.350.70000112.3R631S629-R631 PolarHBondContact O-N 3.34Å
630C28.3Very low29.6Very low114 Ų114140 Ų14077%0.7781%0.811SS**  trans-7491.2170-650000110.8V628V628-C630 PolarHBondContact O-N 3.29Å
631R28.6Very low29.7Very low238 Ų238140.1 Ų140.190%0.89881%0.812SS**PPolyproline II helixtrans-73.2126.4162.6-72.7-172.9175.5-161.3-0.7109.6S629S629-R631 PolarHBondContact O-N 3.34Å
632S29.2Very low30.1Very low109 Ų109139.7 Ų139.776%0.76281%0.809SS**PPolyproline II helixtrans-62.4142.5169.1-510000110.7L634S632-L634 PolarHBondContact O-N 3.48Å
633P29.3Very low30.1Very low127 Ų127138.3 Ų138.383%0.82581%0.808SS**PPolyproline II helixtrans-68130.7167.5-1227.3000109.7
634L26Very low30.4Very low172 Ų172138.3 Ų138.390%0.90181%0.805SS**PPolyproline II helixtrans-70.8138.7166.4-77.9156.4000109.2S632S632-L634 PolarHBondContact O-N 3.48Å
635S30.4Very low30.5Very low117 Ų117141.4 Ų141.482%0.81880%0.804SS**  trans-95.2100.8175.555.50000110.4
636E29Very low30.6Very low179 Ų179139.1 Ų139.184%0.83680%0.801SS**  trans-135.7109.8162.1-71.8-168.6141.900108.8
637D28.3Very low30.5Very low168 Ų168142.4 Ų142.490%0.89881%0.807SS**  -177.198.6129.3-99.4-21.3000109
638S31.6Very low30.9Very low119 Ų119143.7 Ų143.783%0.83281%0.808SS**  trans-125.1105.8166.7-650000106.7R640S638-R640 PolarHBondContact O-N 3.48Å
639A32.2Very low31Very low107 Ų107142 Ų14288%0.88481%0.807SS**  trans-57.4137.3-18000000111
640R29.9Very low31.3Very low239 Ų239141.5 Ų141.590%0.90281%0.808SS**  trans-79.2134.9165.7-70.2175.9173.9170.4-2.7108.7S638S638-R640 PolarHBondContact O-N 3.48Å
641D31Very low31.6Very low162 Ų162147.2 Ų147.287%0.86682%0.815SS**  trans-123.7148.8140.9-97.4-40.8000108.3
642P38.8Very low31.8Very low109 Ų109141 Ų14171%0.70881%0.808SS**  trans-100159.8-169.238.8-34.3000113.1
643D30Very low32.3Very low162 Ų162140.7 Ų140.787%0.86681%0.812SS**  trans-160.5164.8143.4-108.3-14.4000109.3
644P39.7Very low32.8Very low101 Ų101143 Ų14366%0.65684%0.842SS**  trans-118.8-163.4-142.736.1-18.6000114.3
645D30.9Very low33.1Very low143 Ų143141.6 Ų141.677%0.76584%0.839SS**  trans105.3139.3162.9-61.9-17.9000119.1
646S32.1Very low33.3Very low105 Ų105142.9 Ų142.973%0.73484%0.841SS**  trans64.3113.2179.155.20000116.4
647D30.8Very low33.5Very low154 Ų154140.9 Ų140.982%0.82484%0.841SS**  65135.163.5-59.8-36.3000111.9
648E33.8Very low33.8Very low177 Ų177139.3 Ų139.383%0.82784%0.837SS**  cis-159.1174.68.9-142.4-173.3162.200110.4
649A33.2Very low34Very low82 Ų82140.6 Ų140.668%0.67884%0.838SS**  trans49.4106.2154.500000119.7
650A33.8Very low34.1Very low87 Ų87142.8 Ų142.872%0.71984%0.835SS**  69.1118.777.900000116.1
651Y34.8Very low34.4Very low235 Ų235135.9 Ų135.992%0.92283%0.83SS**  -169.9159.7106.6-115.6-88.3000112.5
652S33.8Very low34.7Very low107 Ų107133.9 Ų133.975%0.74883%0.827SS**  trans-101.7166.5-167.1-50.60000115.1
653A38.2Very low34.3Very low103 Ų103136 Ų13685%0.85184%0.837SS**  trans69138.1156.500000117.1
654A40.9Very low34.7Very low176 Ų176133.6 Ų133.6100%1.45583%0.834SS**  cis-143.4033.800000113.7

Retrieved 654 of 654 residues in 150.2 ms (Link to these results)

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