A0A5K4F676_SCHMA Loading...

Arginine/serine-rich splicing factor, putative

AlphaFold DB , UniProt , Accession A0A5K4F676, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 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
1M32.6Very low69.1Low244 Ų24475.5 Ų75.5100%1.20237%0.37SS*.  0111.60-71.8126.7150.800107.3R3M1-R3 PolarHBondContact O-N 3.36Å
2S40.1Very low70.5Confident111 Ų11173.8 Ų73.878%0.77636%0.364SS*.  trans-63.4126.2-175.7-42.50000109.7T4S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 2.94Å
3R49.6Very low71.5Confident220 Ų22068.2 Ų68.283%0.8334%0.337SS*.  trans-63.297.3168.4-77.6176.5169.1176.3-4.6106.7M1 T5 H6M1-R3 PolarHBondContact O-N 3.36Å; R3-T5 PolarHBondContact O-N 3.38Å; R3-H6 PolarHBondContact O-NE2 2.8Å
4T56.3Low72.1Confident43 Ų4363.7 Ų63.726%0.26432%0.315SS..  trans-83.563.6179.552.40000109.6S2S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 2.94Å
5T66.3Low72.4Confident45 Ų4565.5 Ų65.528%0.27633%0.333SS..SBendtrans-87-19.6174.554.60000112.1R3 E55R3-T5 PolarHBondContact O-N 3.38Å; T5-E55 WeakPolarHBondContact CB-OE2 3.41Å; T5-E55 WeakPolarHBondContact CG2-OE2 3.18Å; T5-E55 PolarHBondContact OG1-OE2 3.45Å
6H80.6Confident73Confident62 Ų6269.3 Ų69.329%0.28735%0.354SS..SBendtrans-87.5-5.9176.1-16.1-74.9000113.6R3 F52R3-H6 PolarHBondContact O-NE2 2.8Å; H6-F52 WeakPolarHBondContact CB-O 3.43Å; H6-F52 PolarHBondContact O-N 3Å
7K84.5Confident73.5Confident48 Ų4865.6 Ų65.621%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-95.3138.7-179.4-178.7165.5-91.2162.70110.1F49 V50 E51 P80K7-F49 HydrophobicContact CD-CB 4.11Å; K7-F49 HydrophobicContact CD-CD1 4.27Å; K7-F49 HydrophobicContact CD-CG 4.46Å; K7-F49 HydrophobicContact CG-CB 4.34Å; K7-F49 HydrophobicContact CG-CD1 4.44Å; K7-V50 CarbonylContact C-O 3.5Å; K7-V50 WeakPolarHBondContact CA-O 3.48Å; K7-E51 HydrophobicContact CB-CG 4.38Å; K7-E51 WeakPolarHBondContact CE-OE2 3.22Å; K7-E51 IonicContact NZ-OE2 3.11Å; K7-E51 PolarHBondContact NZ-OE2 3.07Å; K7-P80 HydrophobicContact CB-CG 4.14Å; K7-P80 HydrophobicContact CG-CG 4.1Å; K7-P80 WeakPolarHBondContact O-CD 3.49Å; K7-P80 WeakPolarHBondContact O-CG 3.29Å
8I87.7Confident74.2Confident0 Ų069.3 Ų69.30%035%0.349CS..EExtended strand (participates in β ladder)trans-121148.7173.364.9161.7000109.8V10 F26 F49 V50 F52 A58 A61 V62 V77I8-V10 HydrophobicContact CD1-CG2 3.97Å; I8-V10 HydrophobicContact CG1-CG2 4.34Å; I8-F26 HydrophobicContact CD1-CD1 3.74Å; I8-F26 HydrophobicContact CD1-CE1 3.46Å; I8-F26 VanDerWaalsContact CD1-CE1 3.46Å; I8-F26 HydrophobicContact CD1-CG 4.46Å; I8-F26 HydrophobicContact CD1-CZ 4.01Å; I8-F49 WeakPolarHBondContact O-CA 3.27Å; I8-V50 HydrophobicContact CD1-CB 3.99Å; I8-V50 HydrophobicContact CG1-CB 3.63Å; I8-V50 HydrophobicContact CG1-CG1 4.42Å; I8-V50 HydrophobicContact CG1-CG2 4.45Å; I8-V50 WeakPolarHBondContact CG1-O 3.43Å; I8-V50 PolarHBondContact N-O 3.35Å; I8-V50 PolarHBondContact O-N 2.81Å; I8-F52 HydrophobicContact CD1-CE2 3.63Å; I8-F52 HydrophobicContact CD1-CZ 4.44Å; I8-F52 HydrophobicContact CG1-CD2 4.42Å; I8-F52 HydrophobicContact CG1-CE2 3.94Å; I8-F52 HydrophobicContact CG2-CD2 4.49Å; I8-F52 HydrophobicContact CG2-CE2 4.42Å; I8-A58 HydrophobicContact CG2-CB 3.68Å; I8-A58 WeakPolarHBondContact CG2-O 2.81Å; I8-A61 HydrophobicContact CD1-CB 4.22Å; I8-V62 HydrophobicContact CB-CG2 4.05Å; I8-V62 HydrophobicContact CG2-CG2 3.53Å; I8-V77 HydrophobicContact CB-CG1 4.41Å; I8-V77 HydrophobicContact CD1-CG1 3.78Å
9Y88.2Confident74.8Confident56 Ų5668.9 Ų68.922%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-98.9130.7170.8167.7-94.4000109F47 F49 V77 E78Y9-F47 HydrophobicContact CE2-CB 3.71Å; Y9-F47 HydrophobicContact CE2-CD2 4.04Å; Y9-F47 HydrophobicContact CE2-CG 4.02Å; Y9-F49 HydrophobicContact CD2-CD1 4.25Å; Y9-F49 AromaticContact CD2-CE1 3.64Å; Y9-F49 HydrophobicContact CD2-CE1 3.64Å; Y9-F49 AromaticContact CD2-CZ 3.95Å; Y9-F49 HydrophobicContact CD2-CZ 3.95Å; Y9-F49 HydrophobicContact CG-CE1 4.35Å; Y9-V77 CarbonylContact O-C 3.54Å; Y9-V77 VanDerWaalsContact O-CA 3.27Å; Y9-V77 WeakPolarHBondContact O-CA 3.47Å; Y9-E78 WeakPolarHBondContact CA-O 3.35Å; Y9-E78 WeakPolarHBondContact CB-O 2.87Å; Y9-E78 HydrophobicContact CD1-CB 4.24Å; Y9-E78 PolarHBondContact N-O 3Å; Y9-E78 PolarHBondContact O-N 3.09Å
10V87.5Confident75.5Confident0 Ų075.2 Ų75.20%037%0.37CS..EExtended strand (participates in β ladder)trans-121.8107.4177-172.50000107.6I8 L13 F26 F47 A48 V50 R76 V77I8-V10 HydrophobicContact CD1-CG2 3.97Å; I8-V10 HydrophobicContact CG1-CG2 4.34Å; V10-L13 HydrophobicContact CB-CD1 4.36Å; V10-L13 HydrophobicContact CG1-CD1 4.03Å; V10-L13 HydrophobicContact CG1-CD2 3.72Å; V10-L13 HydrophobicContact CG1-CG 3.98Å; V10-L13 WeakPolarHBondContact O-CD1 3.33Å; V10-F26 HydrophobicContact CB-CE2 4.46Å; V10-F26 HydrophobicContact CB-CZ 4.39Å; V10-F26 HydrophobicContact CG1-CE2 4.07Å; V10-F26 HydrophobicContact CG1-CZ 4.03Å; V10-F26 HydrophobicContact CG2-CE1 4.32Å; V10-F26 HydrophobicContact CG2-CE2 3.63Å; V10-F26 HydrophobicContact CG2-CZ 3.43Å; V10-F26 VanDerWaalsContact CG2-CZ 3.43Å; V10-F47 CarbonylContact O-C 3.59Å; V10-F47 WeakPolarHBondContact O-CA 3.21Å; V10-F47 WeakPolarHBondContact O-CB 3.35Å; V10-A48 HydrophobicContact CB-CB 4.44Å; V10-A48 PolarHBondContact N-O 2.9Å; V10-A48 PolarHBondContact O-N 3.32Å; V10-V50 HydrophobicContact CG2-CG2 4.05Å; V10-R76 CarbonylContact C-O 3.44Å; V10-R76 WeakPolarHBondContact CA-O 3.49Å; V10-V77 HydrophobicContact CG1-CG2 4.26Å; V10-V77 HydrophobicContact CG2-CG1 4.33Å; V10-V77 HydrophobicContact CG2-CG2 4.45Å
11G86.6Confident76Confident1 Ų174.3 Ų74.31%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-109.9171.8178.900000112.8L13 R76G11-L13 VanDerWaalsContact C-N 3.29Å; G11-L13 PolarHBondContact O-N 2.96Å; G11-R76 PolarHBondContact N-O 3.35Å; G11-R76 PolarHBondContact O-N 2.8Å
12N85.5Confident78.7Confident56 Ų5662.7 Ų62.730%0.29931%0.31SS..SBendtrans59.339.7-179.3-159.144.5000112.9P46 Y73 A74N12-P46 PolarHBondContact N-O 2.58Å; N12-Y73 WeakPolarHBondContact O-CB 3.43Å; N12-A74 WeakPolarHBondContact CB-O 3.36Å; N12-A74 PolarHBondContact ND2-O 3.07Å
13L83.5Confident81Confident1 Ų162 Ų621%0.00529%0.294CS..  trans-78.7143.9176.4-69.6157.2000110V10 G11 T17 I22 P46 A48 L75V10-L13 HydrophobicContact CB-CD1 4.36Å; V10-L13 HydrophobicContact CG1-CD1 4.03Å; V10-L13 HydrophobicContact CG1-CD2 3.72Å; V10-L13 HydrophobicContact CG1-CG 3.98Å; V10-L13 WeakPolarHBondContact O-CD1 3.33Å; G11-L13 VanDerWaalsContact C-N 3.29Å; G11-L13 PolarHBondContact O-N 2.96Å; L13-T17 HydrophobicContact CB-CG2 4.44Å; L13-T17 HydrophobicContact CD2-CG2 3.92Å; L13-I22 HydrophobicContact CD1-CD1 3.77Å; L13-I22 HydrophobicContact CD2-CD1 4.3Å; L13-I22 HydrophobicContact CD2-CG1 4.46Å; L13-P46 HydrophobicContact CB-CB 4.14Å; L13-P46 PolarHBondContact N-O 2.81Å; L13-P46 VanDerWaalsContact N-O 3.09Å; L13-P46 VanDerWaalsContact O-CD 3.25Å; L13-P46 WeakPolarHBondContact O-CD 3.48Å; L13-P46 VanDerWaalsContact O-CG 3.27Å; L13-P46 WeakPolarHBondContact O-CG 3.17Å; L13-A48 HydrophobicContact CD1-CB 3.66Å; L13-L75 HydrophobicContact CD2-CD1 4.35Å; L13-L75 HydrophobicContact CD2-CD2 3.44Å; L13-L75 VanDerWaalsContact CD2-CD2 3.44Å; L13-L75 HydrophobicContact CG-CD2 4.1Å
14P79.7Confident82.7Confident5 Ų557.2 Ų57.23%0.03229%0.285CS..  trans-54.5147.7170.2-18.521000111.9D16 T17 F70 D71 Y73P14-D16 PolarHBondContact O-N 2.6Å; P14-D16 VanDerWaalsContact O-N 3.17Å; P14-T17 WeakPolarHBondContact CB-OG1 3.34Å; P14-T17 WeakPolarHBondContact CD-OG1 3.39Å; P14-T17 WeakPolarHBondContact CG-OG1 3.41Å; P14-T17 VanDerWaalsContact O-CB 3.26Å; P14-T17 WeakPolarHBondContact O-CB 3.2Å; P14-T17 PolarHBondContact O-N 2.61Å; P14-T17 PolarHBondContact O-OG1 2.65Å; P14-F70 HydrophobicContact CG-CD1 3.64Å; P14-F70 HydrophobicContact CG-CE1 4.18Å; P14-F70 WeakPolarHBondContact CG-O 3.26Å; P14-D71 HydrophobicContact CB-CB 4.44Å; P14-D71 HydrophobicContact CG-CB 3.91Å; P14-Y73 HydrophobicContact CB-CD2 3.83Å; P14-Y73 HydrophobicContact CB-CE2 4.12Å; P14-Y73 HydrophobicContact CB-CG 4.45Å; P14-Y73 HydrophobicContact CG-CD2 3.75Å; P14-Y73 HydrophobicContact CG-CG 4.17Å
15P78Confident84.1Confident91 Ų9155.8 Ų55.859%0.59128%0.276SS*.THydrogen-bonded Turntrans-60.8-24.4178.325-33.4000113.7T17P15-T17 VanDerWaalsContact C-N 3.33Å
16D80.5Confident85Confident125 Ų12553.7 Ų53.767%0.66826%0.263SS*.THydrogen-bonded Turntrans-84.3-3.9176.8-107.1-82.5000114.1P14 K18P14-D16 PolarHBondContact O-N 2.6Å; P14-D16 VanDerWaalsContact O-N 3.17Å; D16-K18 PolarHBondContact O-N 3.13Å
17T82.7Confident85.2Confident7 Ų753.9 Ų53.94%0.04327%0.271CS..  trans-67128.2-175.6-56.70000111.6L13 P14 P15 D21 I22L13-T17 HydrophobicContact CB-CG2 4.44Å; L13-T17 HydrophobicContact CD2-CG2 3.92Å; P14-T17 WeakPolarHBondContact CB-OG1 3.34Å; P14-T17 WeakPolarHBondContact CD-OG1 3.39Å; P14-T17 WeakPolarHBondContact CG-OG1 3.41Å; P14-T17 VanDerWaalsContact O-CB 3.26Å; P14-T17 WeakPolarHBondContact O-CB 3.2Å; P14-T17 PolarHBondContact O-N 2.61Å; P14-T17 PolarHBondContact O-OG1 2.65Å; P15-T17 VanDerWaalsContact C-N 3.33Å; T17-D21 HydrophobicContact CG2-CB 4.24Å; T17-I22 HydrophobicContact CG2-CD1 4.11Å; T17-I22 HydrophobicContact CG2-CG1 3.72Å
18K85.6Confident85.2Confident132 Ų13257.7 Ų57.757%0.57429%0.288SS*.  trans-108.8164.6176.5-56.9-176.6-173.2179.30111.2D16 R20 D21 I22D16-K18 PolarHBondContact O-N 3.13Å; K18-R20 PolarHBondContact O-N 2.72Å; K18-D21 WeakPolarHBondContact CB-OD2 3.11Å; K18-D21 PolarHBondContact N-OD2 3.15Å; K18-D21 WeakPolarHBondContact O-CB 3.41Å; K18-D21 PolarHBondContact O-N 2.97Å; K18-I22 PolarHBondContact O-N 2.74Å
19T86.7Confident85.1Confident62 Ų6259.9 Ų59.938%0.3830%0.296SS..Hα-helixtrans-51.5-39.4174.7-45.10000112.2D21 I22 E23 I35T19-D21 PolarHBondContact O-N 2.82Å; T19-I22 PolarHBondContact O-N 3.02Å; T19-E23 WeakPolarHBondContact O-CB 3.49Å; T19-E23 PolarHBondContact O-N 3.49Å; T19-I35 HydrophobicContact CG2-CB 3.68Å; T19-I35 HydrophobicContact CG2-CD1 4.18Å; T19-I35 HydrophobicContact CG2-CG2 3.57Å
20R87.3Confident84.9Confident194 Ų19457.6 Ų57.673%0.73229%0.29SS*.Hα-helixtrans-64.1-36.5177.3-73.3-176.6178.6168.1-0.6113.5K18 E23 N24K18-R20 PolarHBondContact O-N 2.72Å; R20-E23 PolarHBondContact O-N 3.15Å; R20-N24 WeakPolarHBondContact O-CB 3.49Å; R20-N24 PolarHBondContact O-N 2.75Å; R20-N24 PolarHBondContact O-ND2 2.92Å
21D87.5Confident84.7Confident57 Ų5761 Ų6131%0.30531%0.312SS..Hα-helixtrans-68.9-42179.7-56.7-52.3000109.9T17 K18 T19 N24 L25 F70T17-D21 HydrophobicContact CG2-CB 4.24Å; K18-D21 WeakPolarHBondContact CB-OD2 3.11Å; K18-D21 PolarHBondContact N-OD2 3.15Å; K18-D21 WeakPolarHBondContact O-CB 3.41Å; K18-D21 PolarHBondContact O-N 2.97Å; T19-D21 PolarHBondContact O-N 2.82Å; D21-N24 PolarHBondContact O-N 3.13Å; D21-L25 VanDerWaalsContact O-CB 3.29Å; D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 WeakPolarHBondContact O-CD1 3.3Å; D21-L25 PolarHBondContact O-N 3.44Å; D21-F70 HydrophobicContact CB-CZ 4.32Å
22I87.7Confident84.8Confident0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-62-45.9173.9-60.7-170.4000110.4L13 T17 K18 T19 N24 L25 F26 I35 L37 A48 V50L13-I22 HydrophobicContact CD1-CD1 3.77Å; L13-I22 HydrophobicContact CD2-CD1 4.3Å; L13-I22 HydrophobicContact CD2-CG1 4.46Å; T17-I22 HydrophobicContact CG2-CD1 4.11Å; T17-I22 HydrophobicContact CG2-CG1 3.72Å; K18-I22 PolarHBondContact O-N 2.74Å; T19-I22 PolarHBondContact O-N 3.02Å; I22-N24 PolarHBondContact O-N 3.22Å; I22-L25 WeakPolarHBondContact O-CB 3.28Å; I22-L25 PolarHBondContact O-N 3.47Å; I22-L25 VanDerWaalsContact O-N 3.11Å; I22-F26 HydrophobicContact CG2-CD2 3.58Å; I22-F26 HydrophobicContact CG2-CE2 3.91Å; I22-F26 VanDerWaalsContact O-CD2 3.24Å; I22-F26 WeakPolarHBondContact O-CD2 3.36Å; I22-F26 PolarHBondContact O-N 2.74Å; I22-I35 HydrophobicContact CB-CG2 4.36Å; I22-I35 HydrophobicContact CG2-CG2 3.98Å; I22-L37 HydrophobicContact CD1-CD1 3.4Å; I22-L37 VanDerWaalsContact CD1-CD1 3.4Å; I22-L37 HydrophobicContact CG1-CD1 4.41Å; I22-A48 HydrophobicContact CD1-CB 3.26Å; I22-V50 HydrophobicContact CG2-CG2 3.34Å
23E88.4Confident84.8Confident98 Ų9863.2 Ų63.246%0.45833%0.332SS..Hα-helixtrans-55.6-50.8176.4-167.2175.3-16900111.4T19 R20 L25 F26 S27 I32 I35T19-E23 WeakPolarHBondContact O-CB 3.49Å; T19-E23 PolarHBondContact O-N 3.49Å; R20-E23 PolarHBondContact O-N 3.15Å; E23-L25 VanDerWaalsContact C-N 3.29Å; E23-L25 PolarHBondContact O-N 3.07Å; E23-F26 PolarHBondContact O-N 3.41Å; E23-S27 WeakPolarHBondContact O-CB 3.21Å; E23-S27 PolarHBondContact O-N 3.29Å; E23-S27 PolarHBondContact O-OG 2.93Å; E23-I32 HydrophobicContact CG-CD1 4.24Å; E23-I35 HydrophobicContact CB-CD1 3.49Å; E23-I35 VanDerWaalsContact CB-CD1 3.49Å; E23-I35 HydrophobicContact CG-CD1 3.89Å
24N87Confident85Confident119 Ų11965.4 Ų65.464%0.63635%0.35SS*.Hα-helixtrans-63.2-33.8176.6-77.2-27.7000113.2R20 D21 I22R20-N24 WeakPolarHBondContact O-CB 3.49Å; R20-N24 PolarHBondContact O-N 2.75Å; R20-N24 PolarHBondContact O-ND2 2.92Å; D21-N24 PolarHBondContact O-N 3.13Å; I22-N24 PolarHBondContact O-N 3.22Å
25L84.3Confident85.4Confident12 Ų1267 Ų676%0.06336%0.358CS..Hα-helixtrans-68-37.6179.1-108.8140.3000112.8D21 I22 E23 Y68 F70 L75D21-L25 VanDerWaalsContact O-CB 3.29Å; D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 WeakPolarHBondContact O-CD1 3.3Å; D21-L25 PolarHBondContact O-N 3.44Å; I22-L25 WeakPolarHBondContact O-CB 3.28Å; I22-L25 PolarHBondContact O-N 3.47Å; I22-L25 VanDerWaalsContact O-N 3.11Å; E23-L25 VanDerWaalsContact C-N 3.29Å; E23-L25 PolarHBondContact O-N 3.07Å; L25-Y68 HydrophobicContact CD2-CD1 3.86Å; L25-Y68 HydrophobicContact CD2-CE1 3.9Å; L25-F70 HydrophobicContact CD1-CD1 4.28Å; L25-F70 HydrophobicContact CD1-CD2 3.91Å; L25-F70 HydrophobicContact CD1-CE1 4.23Å; L25-F70 HydrophobicContact CD1-CE2 3.83Å; L25-F70 HydrophobicContact CD1-CG 4.14Å; L25-F70 HydrophobicContact CD1-CZ 4.01Å; L25-L75 HydrophobicContact CD1-CD1 4.42Å; L25-L75 HydrophobicContact CD2-CD1 4.02Å
26F85.5Confident85.8Confident1 Ų165.6 Ų65.60%0.00435%0.346CS..Hα-helixtrans-104.7-19.4-171-73.3-73.9000113.9I8 V10 I22 E23 K28 Y29 I32 V50 F52 A61 R65 V77I8-F26 HydrophobicContact CD1-CD1 3.74Å; I8-F26 HydrophobicContact CD1-CE1 3.46Å; I8-F26 VanDerWaalsContact CD1-CE1 3.46Å; I8-F26 HydrophobicContact CD1-CG 4.46Å; I8-F26 HydrophobicContact CD1-CZ 4.01Å; V10-F26 HydrophobicContact CB-CE2 4.46Å; V10-F26 HydrophobicContact CB-CZ 4.39Å; V10-F26 HydrophobicContact CG1-CE2 4.07Å; V10-F26 HydrophobicContact CG1-CZ 4.03Å; V10-F26 HydrophobicContact CG2-CE1 4.32Å; V10-F26 HydrophobicContact CG2-CE2 3.63Å; V10-F26 HydrophobicContact CG2-CZ 3.43Å; V10-F26 VanDerWaalsContact CG2-CZ 3.43Å; I22-F26 HydrophobicContact CG2-CD2 3.58Å; I22-F26 HydrophobicContact CG2-CE2 3.91Å; I22-F26 VanDerWaalsContact O-CD2 3.24Å; I22-F26 WeakPolarHBondContact O-CD2 3.36Å; I22-F26 PolarHBondContact O-N 2.74Å; E23-F26 PolarHBondContact O-N 3.41Å; F26-K28 PolarHBondContact O-N 2.85Å; F26-K28 VanDerWaalsContact O-N 3.07Å; F26-Y29 HydrophobicContact CD1-CD2 4.39Å; F26-Y29 PolarHBondContact O-N 3.33Å; F26-I32 HydrophobicContact CB-CD1 3.76Å; F26-I32 HydrophobicContact CB-CG1 4.5Å; F26-V50 HydrophobicContact CB-CG1 4.44Å; F26-V50 HydrophobicContact CD2-CG2 4.1Å; F26-V50 HydrophobicContact CE2-CG2 4.37Å; F26-F52 HydrophobicContact CB-CZ 3.9Å; F26-F52 HydrophobicContact CD1-CZ 4.11Å; F26-F52 HydrophobicContact CG-CZ 4.37Å; F26-A61 HydrophobicContact CD1-CB 3.94Å; F26-A61 HydrophobicContact CE1-CB 4.25Å; F26-R65 HydrophobicContact CE1-CB 3.94Å; F26-R65 HydrophobicContact CE1-CG 4.03Å; F26-R65 HydrophobicContact CZ-CB 4.28Å; F26-R65 HydrophobicContact CZ-CG 4.49Å; F26-V77 HydrophobicContact CE1-CG1 4.21Å; F26-V77 HydrophobicContact CE1-CG2 4.28Å; F26-V77 HydrophobicContact CZ-CG1 4.38Å; F26-V77 HydrophobicContact CZ-CG2 3.92Å
27S84.7Confident86.1Confident66 Ų6661.9 Ų61.946%0.46233%0.326SS..THydrogen-bonded Turntrans-61.6-20.5179.672.40000113.4E23 Y29E23-S27 WeakPolarHBondContact O-CB 3.21Å; E23-S27 PolarHBondContact O-N 3.29Å; E23-S27 PolarHBondContact O-OG 2.93Å; S27-Y29 PolarHBondContact O-N 3.09Å
28K85.5Confident86.1Confident128 Ų12864.7 Ų64.756%0.55734%0.337SS*.THydrogen-bonded Turntrans-67.6-22.5175.682.9166.1-167.4169.60114F26F26-K28 PolarHBondContact O-N 2.85Å; F26-K28 VanDerWaalsContact O-N 3.07Å
29Y84.6Confident85.2Confident46 Ų4660.8 Ų60.818%0.1833%0.33CS..THydrogen-bonded Turntrans-91.1-34.9-177.4-65.2-80.6000111.6F26 S27 D60 A61 G64 R65F26-Y29 HydrophobicContact CD1-CD2 4.39Å; F26-Y29 PolarHBondContact O-N 3.33Å; S27-Y29 PolarHBondContact O-N 3.09Å; Y29-D60 HydrophobicContact CD1-CB 4.34Å; Y29-A61 HydrophobicContact CD1-CB 4.35Å; Y29-A61 HydrophobicContact CD2-CB 3.89Å; Y29-A61 HydrophobicContact CE2-CB 4.45Å; Y29-A61 HydrophobicContact CG-CB 3.83Å; Y29-G64 VanDerWaalsContact OH-C 3.31Å; Y29-G64 WeakPolarHBondContact OH-CA 3.33Å; Y29-G64 PolarHBondContact OH-O 3.37Å; Y29-R65 HydrophobicContact CE2-CG 3.57Å; Y29-R65 WeakPolarHBondContact OH-CG 3.16Å
30G83.6Confident83.8Confident9 Ų961.5 Ų61.59%0.09335%0.35CS..SBendtrans178.6168.6-178.500000112.6I32 D57G30-I32 PolarHBondContact O-N 2.76Å; G30-D57 WeakPolarHBondContact CA-OD2 3.46Å
31P84.5Confident82.3Confident72 Ų7260 Ų6047%0.46835%0.351SS..  trans-63.1128.8173.726.1-31.6000110.6E53P31-E53 HydrophobicContact CB-CG 4.45Å; P31-E53 HydrophobicContact CG-CB 4.25Å; P31-E53 HydrophobicContact CG-CG 4.31Å; P31-E53 PolarHBondContact O-N 2.87Å; P31-E53 VanDerWaalsContact O-N 3.15Å
32I87.6Confident80.6Confident39 Ų3968.2 Ų68.220%0.238%0.378CS..EExtended strand (participates in β ladder)trans-92.4121.7-179.4-57.3170.1000108.3E23 F26 G30 I35 V50 E51 F52E23-I32 HydrophobicContact CG-CD1 4.24Å; F26-I32 HydrophobicContact CB-CD1 3.76Å; F26-I32 HydrophobicContact CB-CG1 4.5Å; G30-I32 PolarHBondContact O-N 2.76Å; I32-I35 HydrophobicContact CD1-CD1 4.17Å; I32-I35 HydrophobicContact CG2-CD1 4.03Å; I32-I35 HydrophobicContact CG2-CG1 3.49Å; I32-I35 VanDerWaalsContact CG2-CG1 3.49Å; I32-V50 HydrophobicContact CD1-CG1 4.28Å; I32-V50 HydrophobicContact CG1-CG1 4.22Å; I32-V50 HydrophobicContact CG2-CG1 3.67Å; I32-E51 CarbonylContact C-O 3.58Å; I32-E51 WeakPolarHBondContact CG2-O 3.48Å; I32-F52 HydrophobicContact CG1-CD1 4.37Å; I32-F52 HydrophobicContact CG1-CE1 4.05Å
33A87.2Confident79.1Confident64 Ų6481 Ų8153%0.52943%0.426SS..EExtended strand (participates in β ladder)trans-77.6-41.7177.100000111.9E51 E53A33-E51 WeakPolarHBondContact CA-O 3.49Å; A33-E51 PolarHBondContact N-O 3.44Å; A33-E53 HydrophobicContact CB-CG 4.25Å
34A86.2Confident77.9Confident46 Ų4678.9 Ų78.938%0.3843%0.43SS..EExtended strand (participates in β ladder)trans-154.8146.5178.900000112.6E51A34-E51 HydrophobicContact CB-CB 4.18Å; A34-E51 PolarHBondContact N-O 3.37Å; A34-E51 VanDerWaalsContact N-O 3.13Å; A34-E51 PolarHBondContact O-N 2.78Å
35I89Confident77.1Confident39 Ų3976.9 Ų76.920%0.242%0.424CS..EExtended strand (participates in β ladder)trans-124.5129173.9-54.2172.5000108.9T19 I22 E23 I32 V50T19-I35 HydrophobicContact CG2-CB 3.68Å; T19-I35 HydrophobicContact CG2-CD1 4.18Å; T19-I35 HydrophobicContact CG2-CG2 3.57Å; I22-I35 HydrophobicContact CB-CG2 4.36Å; I22-I35 HydrophobicContact CG2-CG2 3.98Å; E23-I35 HydrophobicContact CB-CD1 3.49Å; E23-I35 VanDerWaalsContact CB-CD1 3.49Å; E23-I35 HydrophobicContact CG-CD1 3.89Å; I32-I35 HydrophobicContact CD1-CD1 4.17Å; I32-I35 HydrophobicContact CG2-CD1 4.03Å; I32-I35 HydrophobicContact CG2-CG1 3.49Å; I32-I35 VanDerWaalsContact CG2-CG1 3.49Å; I35-V50 HydrophobicContact CG2-CG2 4.45Å
36D87.1Confident77Confident61 Ų6177.6 Ų77.633%0.32643%0.429SS..EExtended strand (participates in β ladder)trans-126.789.9-178.1-176.431.2000110.3K38 A48 F49D36-K38 IonicContact OD1-NZ 2.6Å; D36-K38 PolarHBondContact OD1-NZ 2.79Å; D36-K38 IonicContact OD2-NZ 2.9Å; D36-K38 PolarHBondContact OD2-NZ 2.83Å; D36-A48 CarbonylContact O-C 3.26Å; D36-A48 VanDerWaalsContact O-CA 3.3Å; D36-A48 WeakPolarHBondContact O-CA 3.25Å; D36-F49 HydrophobicContact CB-CB 4.29Å; D36-F49 PolarHBondContact N-O 3.07Å; D36-F49 PolarHBondContact O-N 2.84Å
37L86Confident77.1Confident48 Ų4881 Ų8125%0.25144%0.444SS..EExtended strand (participates in β ladder)trans-81.3120.5179.4-17594.7000110.3I22 A39 A48I22-L37 HydrophobicContact CD1-CD1 3.4Å; I22-L37 VanDerWaalsContact CD1-CD1 3.4Å; I22-L37 HydrophobicContact CG1-CD1 4.41Å; L37-A39 HydrophobicContact CD2-CB 3.99Å; L37-A39 HydrophobicContact CG-CB 4.31Å; L37-A48 HydrophobicContact CD1-CB 4.16Å
38K81.8Confident77.2Confident65 Ų6577.8 Ų77.828%0.28342%0.422SS..EExtended strand (participates in β ladder)trans-108.877.3171.6-9670179.1179.20109.6D36 F47D36-K38 IonicContact OD1-NZ 2.6Å; D36-K38 PolarHBondContact OD1-NZ 2.79Å; D36-K38 IonicContact OD2-NZ 2.9Å; D36-K38 PolarHBondContact OD2-NZ 2.83Å; K38-F47 CarbonylContact C-O 3.44Å; K38-F47 VanDerWaalsContact C-O 3.26Å; K38-F47 VanDerWaalsContact CA-O 3.28Å; K38-F47 WeakPolarHBondContact CA-O 3.27Å; K38-F47 HydrophobicContact CB-CD1 4.5Å; K38-F47 HydrophobicContact CB-CD2 3.77Å; K38-F47 HydrophobicContact CB-CE1 4.17Å; K38-F47 HydrophobicContact CB-CE2 3.36Å; K38-F47 HydrophobicContact CB-CG 4.32Å; K38-F47 HydrophobicContact CB-CZ 3.59Å; K38-F47 WeakPolarHBondContact CB-O 3.46Å; K38-F47 HydrophobicContact CG-CE2 3.83Å; K38-F47 HydrophobicContact CG-CZ 4.03Å; K38-F47 PolarHBondContact N-O 2.95Å; K38-F47 PolarHBondContact O-N 2.73Å; K38-F47 VanDerWaalsContact O-O 3.09Å
39A67.4Low77.3Confident50 Ų5074.2 Ų74.241%0.41341%0.406SS..  trans-90.1123.7169.400000110L37L37-A39 HydrophobicContact CD2-CB 3.99Å; L37-A39 HydrophobicContact CG-CB 4.31Å
40G56.9Low77.5Confident78 Ų7872 Ų7280%0.80440%0.398SS*.SBendtrans92.18.916000000119.1
41Q56.5Low77.7Confident161 Ų16174.2 Ų74.275%0.75241%0.406SS*.SBendtrans-85.3-29.6-175.7-71-162.2-30.500115.7
42R51.9Low77.8Confident231 Ų23171 Ų7187%0.87238%0.384SS*.SBendtrans-154.9137.2-177.4-68.4-171.5153.2-149.8-8.1111.3G44R42-G44 PolarHBondContact O-N 2.8Å
43R55.8Low77.7Confident268 Ų26875.5 Ų75.5100%1.01140%0.404SS*.SBendtrans-26.495.2174.9-69.5-176.2175-165.1-1.7112.2
44G63.5Low77.5Confident53 Ų5376.7 Ų76.755%0.54640%0.402SS..SBendtrans166.4159.7-17500000111.2R42R42-G44 PolarHBondContact O-N 2.8Å
45P70.4Confident77.2Confident78 Ų7878.9 Ų78.951%0.50640%0.404SS..  trans-59.5141.8176.5-17.329000110.5
46P81.8Confident76.8Confident26 Ų2683.3 Ų83.317%0.16943%0.427CS..  trans-50.6141.7171.1-2128.3000111.7N12 L13N12-P46 PolarHBondContact N-O 2.58Å; L13-P46 HydrophobicContact CB-CB 4.14Å; L13-P46 PolarHBondContact N-O 2.81Å; L13-P46 VanDerWaalsContact N-O 3.09Å; L13-P46 VanDerWaalsContact O-CD 3.25Å; L13-P46 WeakPolarHBondContact O-CD 3.48Å; L13-P46 VanDerWaalsContact O-CG 3.27Å; L13-P46 WeakPolarHBondContact O-CG 3.17Å
47F86.5Confident76.7Confident72 Ų7282 Ų8232%0.31642%0.421SS..EExtended strand (participates in β ladder)trans-137.7158.817763.7-90.7000111.4Y9 V10 K38 F49Y9-F47 HydrophobicContact CE2-CB 3.71Å; Y9-F47 HydrophobicContact CE2-CD2 4.04Å; Y9-F47 HydrophobicContact CE2-CG 4.02Å; V10-F47 CarbonylContact O-C 3.59Å; V10-F47 WeakPolarHBondContact O-CA 3.21Å; V10-F47 WeakPolarHBondContact O-CB 3.35Å; K38-F47 CarbonylContact C-O 3.44Å; K38-F47 VanDerWaalsContact C-O 3.26Å; K38-F47 VanDerWaalsContact CA-O 3.28Å; K38-F47 WeakPolarHBondContact CA-O 3.27Å; K38-F47 HydrophobicContact CB-CD1 4.5Å; K38-F47 HydrophobicContact CB-CD2 3.77Å; K38-F47 HydrophobicContact CB-CE1 4.17Å; K38-F47 HydrophobicContact CB-CE2 3.36Å; K38-F47 HydrophobicContact CB-CG 4.32Å; K38-F47 HydrophobicContact CB-CZ 3.59Å; K38-F47 WeakPolarHBondContact CB-O 3.46Å; K38-F47 HydrophobicContact CG-CE2 3.83Å; K38-F47 HydrophobicContact CG-CZ 4.03Å; K38-F47 PolarHBondContact N-O 2.95Å; K38-F47 PolarHBondContact O-N 2.73Å; K38-F47 VanDerWaalsContact O-O 3.09Å; F47-F49 HydrophobicContact CD2-CD2 4.5Å; F47-F49 AromaticContact CD2-CE2 3.92Å; F47-F49 HydrophobicContact CD2-CE2 3.92Å; F47-F49 HydrophobicContact CD2-CZ 4.4Å; F47-F49 AromaticContact CE2-CE2 3.72Å; F47-F49 HydrophobicContact CE2-CE2 3.72Å; F47-F49 HydrophobicContact CE2-CZ 4.34Å
48A87.9Confident76.6Confident0 Ų079.8 Ų79.80%041%0.409CS..EExtended strand (participates in β ladder)trans-139.7152.2177.600000110.8V10 L13 I22 D36 L37V10-A48 HydrophobicContact CB-CB 4.44Å; V10-A48 PolarHBondContact N-O 2.9Å; V10-A48 PolarHBondContact O-N 3.32Å; L13-A48 HydrophobicContact CD1-CB 3.66Å; I22-A48 HydrophobicContact CD1-CB 3.26Å; D36-A48 CarbonylContact O-C 3.26Å; D36-A48 VanDerWaalsContact O-CA 3.3Å; D36-A48 WeakPolarHBondContact O-CA 3.25Å; L37-A48 HydrophobicContact CD1-CB 4.16Å
49F88.5Confident76.6Confident52 Ų5278.7 Ų78.723%0.22841%0.41CS..EExtended strand (participates in β ladder)trans-108.7129.6165.7-62.6-81.8000108.8K7 I8 Y9 D36 F47K7-F49 HydrophobicContact CD-CB 4.11Å; K7-F49 HydrophobicContact CD-CD1 4.27Å; K7-F49 HydrophobicContact CD-CG 4.46Å; K7-F49 HydrophobicContact CG-CB 4.34Å; K7-F49 HydrophobicContact CG-CD1 4.44Å; I8-F49 WeakPolarHBondContact O-CA 3.27Å; Y9-F49 HydrophobicContact CD2-CD1 4.25Å; Y9-F49 AromaticContact CD2-CE1 3.64Å; Y9-F49 HydrophobicContact CD2-CE1 3.64Å; Y9-F49 AromaticContact CD2-CZ 3.95Å; Y9-F49 HydrophobicContact CD2-CZ 3.95Å; Y9-F49 HydrophobicContact CG-CE1 4.35Å; D36-F49 HydrophobicContact CB-CB 4.29Å; D36-F49 PolarHBondContact N-O 3.07Å; D36-F49 PolarHBondContact O-N 2.84Å; F47-F49 HydrophobicContact CD2-CD2 4.5Å; F47-F49 AromaticContact CD2-CE2 3.92Å; F47-F49 HydrophobicContact CD2-CE2 3.92Å; F47-F49 HydrophobicContact CD2-CZ 4.4Å; F47-F49 AromaticContact CE2-CE2 3.72Å; F47-F49 HydrophobicContact CE2-CE2 3.72Å; F47-F49 HydrophobicContact CE2-CZ 4.34Å
50V88.6Confident77.4Confident0 Ų081.1 Ų81.10%042%0.415CS..EExtended strand (participates in β ladder)trans-114.3131.4174.7-177.80000107.1K7 I8 V10 I22 F26 I32 I35 F52K7-V50 CarbonylContact C-O 3.5Å; K7-V50 WeakPolarHBondContact CA-O 3.48Å; I8-V50 HydrophobicContact CD1-CB 3.99Å; I8-V50 HydrophobicContact CG1-CB 3.63Å; I8-V50 HydrophobicContact CG1-CG1 4.42Å; I8-V50 HydrophobicContact CG1-CG2 4.45Å; I8-V50 WeakPolarHBondContact CG1-O 3.43Å; I8-V50 PolarHBondContact N-O 3.35Å; I8-V50 PolarHBondContact O-N 2.81Å; V10-V50 HydrophobicContact CG2-CG2 4.05Å; I22-V50 HydrophobicContact CG2-CG2 3.34Å; F26-V50 HydrophobicContact CB-CG1 4.44Å; F26-V50 HydrophobicContact CD2-CG2 4.1Å; F26-V50 HydrophobicContact CE2-CG2 4.37Å; I32-V50 HydrophobicContact CD1-CG1 4.28Å; I32-V50 HydrophobicContact CG1-CG1 4.22Å; I32-V50 HydrophobicContact CG2-CG1 3.67Å; I35-V50 HydrophobicContact CG2-CG2 4.45Å; V50-F52 HydrophobicContact CG1-CD2 4.32Å; V50-F52 HydrophobicContact CG1-CE2 3.92Å; V50-F52 HydrophobicContact CG1-CZ 4.28Å
51E87.4Confident78.7Confident56 Ų5677.4 Ų77.426%0.26238%0.377SS..EExtended strand (participates in β ladder)trans-114.4118.9178.6-165.3159.1-172.300107.8K7 I32 A33 A34K7-E51 HydrophobicContact CB-CG 4.38Å; K7-E51 WeakPolarHBondContact CE-OE2 3.22Å; K7-E51 IonicContact NZ-OE2 3.11Å; K7-E51 PolarHBondContact NZ-OE2 3.07Å; I32-E51 CarbonylContact C-O 3.58Å; I32-E51 WeakPolarHBondContact CG2-O 3.48Å; A33-E51 WeakPolarHBondContact CA-O 3.49Å; A33-E51 PolarHBondContact N-O 3.44Å; A34-E51 HydrophobicContact CB-CB 4.18Å; A34-E51 PolarHBondContact N-O 3.37Å; A34-E51 VanDerWaalsContact N-O 3.13Å; A34-E51 PolarHBondContact O-N 2.78Å
52F86.8Confident80.1Confident3 Ų370.7 Ų70.71%0.01335%0.347CS..EExtended strand (participates in β ladder)trans-87.9161.2175-73.6-88.7000110.4H6 I8 F26 I32 V50 D54 D57 A58 A61H6-F52 WeakPolarHBondContact CB-O 3.43Å; H6-F52 PolarHBondContact O-N 3Å; I8-F52 HydrophobicContact CD1-CE2 3.63Å; I8-F52 HydrophobicContact CD1-CZ 4.44Å; I8-F52 HydrophobicContact CG1-CD2 4.42Å; I8-F52 HydrophobicContact CG1-CE2 3.94Å; I8-F52 HydrophobicContact CG2-CD2 4.49Å; I8-F52 HydrophobicContact CG2-CE2 4.42Å; F26-F52 HydrophobicContact CB-CZ 3.9Å; F26-F52 HydrophobicContact CD1-CZ 4.11Å; F26-F52 HydrophobicContact CG-CZ 4.37Å; I32-F52 HydrophobicContact CG1-CD1 4.37Å; I32-F52 HydrophobicContact CG1-CE1 4.05Å; V50-F52 HydrophobicContact CG1-CD2 4.32Å; V50-F52 HydrophobicContact CG1-CE2 3.92Å; V50-F52 HydrophobicContact CG1-CZ 4.28Å; F52-D54 VanDerWaalsContact C-N 3.32Å; F52-D54 WeakPolarHBondContact CB-O 3.36Å; F52-D57 HydrophobicContact CB-CB 4.45Å; F52-D57 HydrophobicContact CD1-CB 3.92Å; F52-D57 HydrophobicContact CE1-CB 4.45Å; F52-D57 HydrophobicContact CG-CB 4.28Å; F52-A58 HydrophobicContact CB-CB 4.29Å; F52-A58 HydrophobicContact CD2-CB 3.79Å; F52-A58 HydrophobicContact CG-CB 4.31Å; F52-A61 HydrophobicContact CE2-CB 3.81Å; F52-A61 HydrophobicContact CZ-CB 3.66Å
53E84.9Confident81.5Confident134 Ų13469.7 Ų69.763%0.62634%0.343SS*.SBendtrans-67.4-37.9165-69.8-156.2133.400111.2P31 A33P31-E53 HydrophobicContact CB-CG 4.45Å; P31-E53 HydrophobicContact CG-CB 4.25Å; P31-E53 HydrophobicContact CG-CG 4.31Å; P31-E53 PolarHBondContact O-N 2.87Å; P31-E53 VanDerWaalsContact O-N 3.15Å; A33-E53 HydrophobicContact CB-CG 4.25Å
54D82.1Confident82.6Confident89 Ų8957.9 Ų57.948%0.47631%0.305SS..  trans-111.9141.9-175.6-100.2-58.8000113.7F52 D57 A58F52-D54 VanDerWaalsContact C-N 3.32Å; F52-D54 WeakPolarHBondContact CB-O 3.36Å; D54-D57 HydrophobicContact CB-CB 4.26Å; D54-A58 PolarHBondContact O-N 2.85Å
55E81.1Confident83.4Confident93 Ų9356.8 Ų56.844%0.43529%0.285SS..Hα-helixtrans-70.8-31.9176.7172.9177.5153.500112.5T5 A58 S59T5-E55 WeakPolarHBondContact CB-OE2 3.41Å; T5-E55 WeakPolarHBondContact CG2-OE2 3.18Å; T5-E55 PolarHBondContact OG1-OE2 3.45Å; E55-A58 PolarHBondContact O-N 3.41Å; E55-S59 PolarHBondContact O-N 2.86Å; E55-S59 PolarHBondContact O-OG 2.88Å; E55-S59 VanDerWaalsContact O-OG 3.07Å
56L81.3Confident84Confident131 Ų13157 Ų5769%0.68628%0.281SS*.Hα-helixtrans-65.3-45.3177.2-70167.7000110.3A58 S59 D60L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.42Å; L56-S59 PolarHBondContact O-N 2.7Å; L56-S59 VanDerWaalsContact O-N 3.15Å; L56-D60 PolarHBondContact O-N 3.48Å
57D84.5Confident83.9Confident35 Ų3557.4 Ų57.419%0.18729%0.291CS..Hα-helixtrans-63.5-41.9178.2-61.2-5.8000111.1G30 F52 D54 S59 D60 A61G30-D57 WeakPolarHBondContact CA-OD2 3.46Å; F52-D57 HydrophobicContact CB-CB 4.45Å; F52-D57 HydrophobicContact CD1-CB 3.92Å; F52-D57 HydrophobicContact CE1-CB 4.45Å; F52-D57 HydrophobicContact CG-CB 4.28Å; D54-D57 HydrophobicContact CB-CB 4.26Å; D57-S59 VanDerWaalsContact C-N 3.33Å; D57-S59 PolarHBondContact O-N 3.49Å; D57-D60 PolarHBondContact O-N 2.86Å; D57-A61 WeakPolarHBondContact O-CB 3.27Å; D57-A61 PolarHBondContact O-N 3.45Å
58A84.2Confident83.5Confident0 Ų057.5 Ų57.50%029%0.289CS..Hα-helixtrans-58.4-43.6173.200000112.1I8 F52 D54 E55 L56 V62I8-A58 HydrophobicContact CG2-CB 3.68Å; I8-A58 WeakPolarHBondContact CG2-O 2.81Å; F52-A58 HydrophobicContact CB-CB 4.29Å; F52-A58 HydrophobicContact CD2-CB 3.79Å; F52-A58 HydrophobicContact CG-CB 4.31Å; D54-A58 PolarHBondContact O-N 2.85Å; E55-A58 PolarHBondContact O-N 3.41Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.42Å; A58-V62 WeakPolarHBondContact O-CG2 3.49Å; A58-V62 PolarHBondContact O-N 3.24Å; A58-V62 VanDerWaalsContact O-N 3.07Å
59S81.4Confident83Confident43 Ų4360.6 Ų60.630%0.30131%0.306SS..Hα-helixtrans-69-41.1179.7-65.70000112.7E55 L56 D57 V62 R63E55-S59 PolarHBondContact O-N 2.86Å; E55-S59 PolarHBondContact O-OG 2.88Å; E55-S59 VanDerWaalsContact O-OG 3.07Å; L56-S59 PolarHBondContact O-N 2.7Å; L56-S59 VanDerWaalsContact O-N 3.15Å; D57-S59 VanDerWaalsContact C-N 3.33Å; D57-S59 PolarHBondContact O-N 3.49Å; S59-V62 PolarHBondContact O-N 3.45Å; S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-N 3.09Å; S59-R63 VanDerWaalsContact O-N 3.07Å
60D82.6Confident82.3Confident100 Ų10060.4 Ų60.454%0.53531%0.305SS..Hα-helixtrans-68.8-37.7176.1-99.3-0.7000111.8Y29 L56 D57 V62 R63 G64Y29-D60 HydrophobicContact CD1-CB 4.34Å; L56-D60 PolarHBondContact O-N 3.48Å; D57-D60 PolarHBondContact O-N 2.86Å; D60-V62 VanDerWaalsContact C-N 3.33Å; D60-V62 PolarHBondContact O-N 2.83Å; D60-R63 PolarHBondContact O-N 2.77Å; D60-G64 PolarHBondContact O-N 2.78Å
61A85.4Confident81.6Confident0 Ų066.5 Ų66.50%034%0.338CS..Hα-helixtrans-58.7-44.1172.300000111.7I8 F26 Y29 F52 D57 G64 R65I8-A61 HydrophobicContact CD1-CB 4.22Å; F26-A61 HydrophobicContact CD1-CB 3.94Å; F26-A61 HydrophobicContact CE1-CB 4.25Å; Y29-A61 HydrophobicContact CD1-CB 4.35Å; Y29-A61 HydrophobicContact CD2-CB 3.89Å; Y29-A61 HydrophobicContact CE2-CB 4.45Å; Y29-A61 HydrophobicContact CG-CB 3.83Å; F52-A61 HydrophobicContact CE2-CB 3.81Å; F52-A61 HydrophobicContact CZ-CB 3.66Å; D57-A61 WeakPolarHBondContact O-CB 3.27Å; D57-A61 PolarHBondContact O-N 3.45Å; A61-G64 PolarHBondContact O-N 2.99Å; A61-R65 WeakPolarHBondContact O-CB 3.24Å; A61-R65 PolarHBondContact O-N 3.18Å
62V85Confident81.1Confident20 Ų2066.8 Ų66.812%0.12136%0.356CS..Hα-helixtrans-61-51.5176.1171.20000110.5I8 A58 S59 D60 G64 D66 V77 L79I8-V62 HydrophobicContact CB-CG2 4.05Å; I8-V62 HydrophobicContact CG2-CG2 3.53Å; A58-V62 WeakPolarHBondContact O-CG2 3.49Å; A58-V62 PolarHBondContact O-N 3.24Å; A58-V62 VanDerWaalsContact O-N 3.07Å; S59-V62 PolarHBondContact O-N 3.45Å; D60-V62 VanDerWaalsContact C-N 3.33Å; D60-V62 PolarHBondContact O-N 2.83Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.74Å; V62-D66 WeakPolarHBondContact O-CB 3.47Å; V62-D66 PolarHBondContact O-N 3.42Å; V62-V77 HydrophobicContact CB-CG1 4.22Å; V62-V77 HydrophobicContact CG2-CG1 3.79Å; V62-L79 HydrophobicContact CG2-CG 4.19Å
63R81.7Confident80.8Confident210 Ų21071.3 Ų71.379%0.79237%0.373SS*.Hα-helixtrans-66.5-31.8-177.7-68.1178.980.3-176.34.9113S59 D60S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-N 3.09Å; S59-R63 VanDerWaalsContact O-N 3.07Å; D60-R63 PolarHBondContact O-N 2.77Å
64G79Confident80.6Confident20 Ų2067.1 Ų67.121%0.20636%0.362CS..Hα-helixtrans-88.2-26.3-17800000114.8Y29 D60 A61 V62 R161Y29-G64 VanDerWaalsContact OH-C 3.31Å; Y29-G64 WeakPolarHBondContact OH-CA 3.33Å; Y29-G64 PolarHBondContact OH-O 3.37Å; D60-G64 PolarHBondContact O-N 2.78Å; A61-G64 PolarHBondContact O-N 2.99Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.74Å; G64-R161 VanDerWaalsContact O-CZ 3.32Å; G64-R161 PolarHBondContact O-NH1 2.91Å; G64-R161 PolarHBondContact O-NH2 3.27Å
65R80.1Confident80.8Confident31 Ų3162.9 Ų62.912%0.11734%0.339CS..Hα-helixtrans-110.7-10.8-178.4-75.1-55.7-168.1-179.88115.7F26 Y29 A61 G67 Y68 V77F26-R65 HydrophobicContact CE1-CB 3.94Å; F26-R65 HydrophobicContact CE1-CG 4.03Å; F26-R65 HydrophobicContact CZ-CB 4.28Å; F26-R65 HydrophobicContact CZ-CG 4.49Å; Y29-R65 HydrophobicContact CE2-CG 3.57Å; Y29-R65 WeakPolarHBondContact OH-CG 3.16Å; A61-R65 WeakPolarHBondContact O-CB 3.24Å; A61-R65 PolarHBondContact O-N 3.18Å; R65-G67 PolarHBondContact O-N 3.47Å; R65-Y68 VanDerWaalsContact O-CB 3.27Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.33Å; R65-V77 HydrophobicContact CB-CG2 3.73Å
66D83.9Confident81Confident81 Ų8164 Ų6443%0.43334%0.339SS..THydrogen-bonded Turntrans-61.7127.8171.9-168.435.3000111V62 R76 V77 R161V62-D66 WeakPolarHBondContact O-CB 3.47Å; V62-D66 PolarHBondContact O-N 3.42Å; D66-R76 WeakPolarHBondContact OD1-CA 3.43Å; D66-V77 HydrophobicContact CB-CB 4.22Å; D66-V77 WeakPolarHBondContact CB-O 3.48Å; D66-V77 PolarHBondContact OD1-N 2.82Å; D66-R161 PolarHBondContact O-NH2 3.34Å
67G78.4Confident81.3Confident36 Ų3657.8 Ų57.837%0.37131%0.307SS..THydrogen-bonded Turntrans77.27.8-173.400000115.8R65 N69 L75R65-G67 PolarHBondContact O-N 3.47Å; G67-N69 PolarHBondContact O-N 3.21Å; G67-L75 WeakPolarHBondContact CA-O 3.43Å; G67-L75 PolarHBondContact N-O 3.43Å
68Y78.9Confident81.3Confident74 Ų7458.5 Ų58.529%0.2931%0.309SS..  trans-67.4125.1-178.1177-115.7000111.7L25 R65 F70 A74 L75L25-Y68 HydrophobicContact CD2-CD1 3.86Å; L25-Y68 HydrophobicContact CD2-CE1 3.9Å; R65-Y68 VanDerWaalsContact O-CB 3.27Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.33Å; Y68-F70 HydrophobicContact CD1-CB 3.99Å; Y68-F70 HydrophobicContact CE1-CB 3.95Å; Y68-F70 AromaticContact CE1-CD2 3.99Å; Y68-F70 HydrophobicContact CE1-CD2 3.99Å; Y68-F70 HydrophobicContact CE1-CG 4.42Å; Y68-F70 PolarHBondContact O-N 2.79Å; Y68-A74 CarbonylContact O-C 3.48Å; Y68-L75 HydrophobicContact CD1-CD1 3.99Å; Y68-L75 WeakPolarHBondContact O-CB 3.11Å; Y68-L75 WeakPolarHBondContact O-CG 3.49Å; Y68-L75 PolarHBondContact O-N 3.32Å
69N77Confident81.1Confident65 Ų6562 Ų6235%0.34833%0.327SS..EExtended strand (participates in β ladder)trans-78.4105.1178.1-142.131.8000110.5G67 Y73 A74G67-N69 PolarHBondContact O-N 3.21Å; N69-Y73 WeakPolarHBondContact CA-O 3.46Å; N69-Y73 VanDerWaalsContact OD1-C 3.23Å; N69-A74 PolarHBondContact OD1-N 2.97Å
70F73.8Confident80.5Confident48 Ų4861.3 Ų61.321%0.21132%0.322CS..EExtended strand (participates in β ladder)trans-111.5115.6176-172.9-113.2000109P14 D21 L25 Y68 G72 Y73 L75P14-F70 HydrophobicContact CG-CD1 3.64Å; P14-F70 HydrophobicContact CG-CE1 4.18Å; P14-F70 WeakPolarHBondContact CG-O 3.26Å; D21-F70 HydrophobicContact CB-CZ 4.32Å; L25-F70 HydrophobicContact CD1-CD1 4.28Å; L25-F70 HydrophobicContact CD1-CD2 3.91Å; L25-F70 HydrophobicContact CD1-CE1 4.23Å; L25-F70 HydrophobicContact CD1-CE2 3.83Å; L25-F70 HydrophobicContact CD1-CG 4.14Å; L25-F70 HydrophobicContact CD1-CZ 4.01Å; Y68-F70 HydrophobicContact CD1-CB 3.99Å; Y68-F70 HydrophobicContact CE1-CB 3.95Å; Y68-F70 AromaticContact CE1-CD2 3.99Å; Y68-F70 HydrophobicContact CE1-CD2 3.99Å; Y68-F70 HydrophobicContact CE1-CG 4.42Å; Y68-F70 PolarHBondContact O-N 2.79Å; F70-G72 PolarHBondContact O-N 3.24Å; F70-Y73 PolarHBondContact N-O 2.95Å; F70-Y73 WeakPolarHBondContact O-CB 3.27Å; F70-Y73 PolarHBondContact O-N 3.01Å; F70-L75 HydrophobicContact CB-CD1 3.89Å; F70-L75 HydrophobicContact CB-CD2 4.04Å; F70-L75 HydrophobicContact CB-CG 3.84Å
71D74.4Confident79.2Confident127 Ų12766.3 Ų66.368%0.67933%0.333SS*.THydrogen-bonded Turntrans55.335-179.2-137.9-21.2000114.2P14 Y73P14-D71 HydrophobicContact CB-CB 4.44Å; P14-D71 HydrophobicContact CG-CB 3.91Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 VanDerWaalsContact O-CD2 3.27Å; D71-Y73 WeakPolarHBondContact O-CD2 3.44Å; D71-Y73 PolarHBondContact O-N 3.28Å
72G77.9Confident77.4Confident62 Ų6271.2 Ų71.264%0.63936%0.363SS*.THydrogen-bonded Turntrans82.42.8-17600000115.1F70F70-G72 PolarHBondContact O-N 3.24Å
73Y78.7Confident75.3Confident99 Ų9973.9 Ų73.939%0.38840%0.395SS..EExtended strand (participates in β ladder)trans-108.8121.1175.4-64.7-98.6000111N12 P14 N69 F70 D71 L75N12-Y73 WeakPolarHBondContact O-CB 3.43Å; P14-Y73 HydrophobicContact CB-CD2 3.83Å; P14-Y73 HydrophobicContact CB-CE2 4.12Å; P14-Y73 HydrophobicContact CB-CG 4.45Å; P14-Y73 HydrophobicContact CG-CD2 3.75Å; P14-Y73 HydrophobicContact CG-CG 4.17Å; N69-Y73 WeakPolarHBondContact CA-O 3.46Å; N69-Y73 VanDerWaalsContact OD1-C 3.23Å; F70-Y73 PolarHBondContact N-O 2.95Å; F70-Y73 WeakPolarHBondContact O-CB 3.27Å; F70-Y73 PolarHBondContact O-N 3.01Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 VanDerWaalsContact O-CD2 3.27Å; D71-Y73 WeakPolarHBondContact O-CD2 3.44Å; D71-Y73 PolarHBondContact O-N 3.28Å; Y73-L75 PolarHBondContact O-N 3.11Å; Y73-L75 VanDerWaalsContact O-N 3.09Å
74A82.2Confident73.3Confident46 Ų4666.8 Ų66.838%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-71.8103173.300000110.1N12 Y68 N69 R76N12-A74 WeakPolarHBondContact CB-O 3.36Å; N12-A74 PolarHBondContact ND2-O 3.07Å; Y68-A74 CarbonylContact O-C 3.48Å; N69-A74 PolarHBondContact OD1-N 2.97Å; A74-R76 PolarHBondContact O-N 3.42Å
75L86.5Confident71.2Confident0 Ų075.1 Ų75.10%042%0.418CS..  trans-59.3133.7177.3-60-172.6000109.8L13 L25 G67 Y68 F70 Y73L13-L75 HydrophobicContact CD2-CD1 4.35Å; L13-L75 HydrophobicContact CD2-CD2 3.44Å; L13-L75 VanDerWaalsContact CD2-CD2 3.44Å; L13-L75 HydrophobicContact CG-CD2 4.1Å; L25-L75 HydrophobicContact CD1-CD1 4.42Å; L25-L75 HydrophobicContact CD2-CD1 4.02Å; G67-L75 WeakPolarHBondContact CA-O 3.43Å; G67-L75 PolarHBondContact N-O 3.43Å; Y68-L75 HydrophobicContact CD1-CD1 3.99Å; Y68-L75 WeakPolarHBondContact O-CB 3.11Å; Y68-L75 WeakPolarHBondContact O-CG 3.49Å; Y68-L75 PolarHBondContact O-N 3.32Å; F70-L75 HydrophobicContact CB-CD1 3.89Å; F70-L75 HydrophobicContact CB-CD2 4.04Å; F70-L75 HydrophobicContact CB-CG 3.84Å; Y73-L75 PolarHBondContact O-N 3.11Å; Y73-L75 VanDerWaalsContact O-N 3.09Å
76R83.9Confident69.3Low116 Ų11681.1 Ų81.144%0.43845%0.452SS..EExtended strand (participates in β ladder)trans-102.3109173.5179177.6172.1-166.60.4108.5V10 G11 D66 A74 E78V10-R76 CarbonylContact C-O 3.44Å; V10-R76 WeakPolarHBondContact CA-O 3.49Å; G11-R76 PolarHBondContact N-O 3.35Å; G11-R76 PolarHBondContact O-N 2.8Å; D66-R76 WeakPolarHBondContact OD1-CA 3.43Å; A74-R76 PolarHBondContact O-N 3.42Å; R76-E78 IonicContact CZ-OE2 2.61Å; R76-E78 IonicContact NE-OE2 2.89Å; R76-E78 PolarHBondContact NE-OE2 3.39Å; R76-E78 VanDerWaalsContact NE-OE2 3.13Å; R76-E78 IonicContact NH2-OE1 3.22Å; R76-E78 IonicContact NH2-OE2 3.87Å; R76-E78 PolarHBondContact NH2-OE2 3.22Å
77V88.5Confident67.4Low1 Ų185.5 Ų85.51%0.00648%0.475CS..EExtended strand (participates in β ladder)trans-107.6122.4178.2-1680000108.3I8 Y9 V10 F26 V62 R65 D66I8-V77 HydrophobicContact CB-CG1 4.41Å; I8-V77 HydrophobicContact CD1-CG1 3.78Å; Y9-V77 CarbonylContact O-C 3.54Å; Y9-V77 VanDerWaalsContact O-CA 3.27Å; Y9-V77 WeakPolarHBondContact O-CA 3.47Å; V10-V77 HydrophobicContact CG1-CG2 4.26Å; V10-V77 HydrophobicContact CG2-CG1 4.33Å; V10-V77 HydrophobicContact CG2-CG2 4.45Å; F26-V77 HydrophobicContact CE1-CG1 4.21Å; F26-V77 HydrophobicContact CE1-CG2 4.28Å; F26-V77 HydrophobicContact CZ-CG1 4.38Å; F26-V77 HydrophobicContact CZ-CG2 3.92Å; V62-V77 HydrophobicContact CB-CG1 4.22Å; V62-V77 HydrophobicContact CG2-CG1 3.79Å; R65-V77 HydrophobicContact CB-CG2 3.73Å; D66-V77 HydrophobicContact CB-CB 4.22Å; D66-V77 WeakPolarHBondContact CB-O 3.48Å; D66-V77 PolarHBondContact OD1-N 2.82Å
78E84.2Confident65.5Low49 Ų4986.7 Ų86.723%0.22949%0.488CS..EExtended strand (participates in β ladder)trans-141150.9-176.2-152.2176169.100109.1Y9 R76 R81Y9-E78 WeakPolarHBondContact CA-O 3.35Å; Y9-E78 WeakPolarHBondContact CB-O 2.87Å; Y9-E78 HydrophobicContact CD1-CB 4.24Å; Y9-E78 PolarHBondContact N-O 3Å; Y9-E78 PolarHBondContact O-N 3.09Å; R76-E78 IonicContact CZ-OE2 2.61Å; R76-E78 IonicContact NE-OE2 2.89Å; R76-E78 PolarHBondContact NE-OE2 3.39Å; R76-E78 VanDerWaalsContact NE-OE2 3.13Å; R76-E78 IonicContact NH2-OE1 3.22Å; R76-E78 IonicContact NH2-OE2 3.87Å; R76-E78 PolarHBondContact NH2-OE2 3.22Å; E78-R81 IonicContact OE1-CZ 3.35Å; E78-R81 IonicContact OE1-NE 3Å; E78-R81 PolarHBondContact OE1-NE 2.86Å; E78-R81 IonicContact OE1-NH2 2.81Å; E78-R81 PolarHBondContact OE1-NH2 3.47Å; E78-R81 IonicContact OE2-NH2 3.97Å
79L79.2Confident63.6Low75 Ų7591.5 Ų91.539%0.39352%0.519SS..  trans-67.3135.1166.8-73.8149.4000108.1V62 R81V62-L79 HydrophobicContact CG2-CG 4.19Å; L79-R81 PolarHBondContact O-N 2.82Å; L79-R81 VanDerWaalsContact O-N 3.09Å
80P68.9Low61.8Low27 Ų2792 Ų9218%0.17554%0.539CS..  trans-57.5122179.325.1-32.7000108K7 T82K7-P80 HydrophobicContact CB-CG 4.14Å; K7-P80 HydrophobicContact CG-CG 4.1Å; K7-P80 WeakPolarHBondContact O-CD 3.49Å; K7-P80 WeakPolarHBondContact O-CG 3.29Å; P80-T82 VanDerWaalsContact C-N 3.31Å; P80-T82 PolarHBondContact O-N 3.03Å
81R56.5Low60.2Low205 Ų20593.4 Ų93.477%0.77457%0.567SS**  trans-66.592-178.8-67-175.9-178.3-174.3-1.6109.1E78 L79E78-R81 IonicContact OE1-CZ 3.35Å; E78-R81 IonicContact OE1-NE 3Å; E78-R81 PolarHBondContact OE1-NE 2.86Å; E78-R81 IonicContact OE1-NH2 2.81Å; E78-R81 PolarHBondContact OE1-NH2 3.47Å; E78-R81 IonicContact OE2-NH2 3.97Å; L79-R81 PolarHBondContact O-N 2.82Å; L79-R81 VanDerWaalsContact O-N 3.09Å
82T47.4Very low58.5Low104 Ų10493 Ų9364%0.63857%0.571SS**  trans-122.5116.4166.8-161.10000108.2P80P80-T82 VanDerWaalsContact C-N 3.31Å; P80-T82 PolarHBondContact O-N 3.03Å
83G40.4Very low56.9Low76 Ų7696 Ų9678%0.78457%0.573SS**  trans63116.8157.800000117.7
84G38.9Very low55.1Low60 Ų6097.6 Ų97.662%0.61960%0.595SS**  trans-59.3178.9168.600000115.1
85F36.1Very low53Low196 Ų196101.7 Ų101.786%0.8661%0.611SS**  trans93105.4159.8-42.3-70.4000117.2
86N39.6Very low51.4Low156 Ų156109.3 Ų109.383%0.83465%0.646SS**  trans102.881.7143.9-55.5-35.1000119.7
87N44.9Very low49Very low173 Ų173111.6 Ų111.693%0.92566%0.66SS**SBend179.9124.1118.3-126.73.8000108
88G37.9Very low46.5Very low62 Ų62122.7 Ų122.764%0.63970%0.701SS**  cis175.290.85.400000106.4
89N38.1Very low44.4Very low175 Ų175132.2 Ų132.294%0.93674%0.735SS**SBendtrans-169.9115.8153.3-129.4-86000111.2
90G39.2Very low42.3Very low76 Ų76132.1 Ų132.178%0.78475%0.752SS**  trans91.459.2148.500000117.7
91G40.2Very low40.7Very low76 Ų76133.8 Ų133.878%0.78478%0.775SS**  trans-126.7119.3145.100000109.5
92P38.5Very low39.9Very low119 Ų119133.5 Ų133.577%0.77378%0.779SS**  trans-132.4133.6133.729.4-14.8000113.7
93N45.6Very low39.5Very low125 Ų125136.2 Ų136.267%0.66879%0.79SS**  trans83114.8151-81.5-30.4000121.1N95N93-N95 VanDerWaalsContact C-N 3.25Å; N93-N95 PolarHBondContact O-N 3.37Å
94P41.5Very low39.4Very low133 Ų133144.4 Ų144.486%0.86480%0.797SS**SBendtrans-8417.5166.434.7-32.4000113.9
95N37.8Very low39.4Very low131 Ų131145.2 Ų145.270%0.70181%0.806SS**  trans-137.143.1-170.9-135.747.4000115.1N93N93-N95 VanDerWaalsContact C-N 3.25Å; N93-N95 PolarHBondContact O-N 3.37Å
96Q52.2Low39.5Very low161 Ų161140.1 Ų140.175%0.75281%0.808SS**  trans-119.893.9161-74.5-172.77.400111.4
97F33.2Very low39.2Very low163 Ų163136.7 Ų136.772%0.71581%0.81SS**  42.8108.6128.3-56.6-70.4000117.8
98R36.7Very low38.8Very low235 Ų235132.3 Ų132.389%0.88781%0.806SS**  65.4105.4127.2-53.7-125.6-171.5-159.62.9116.1
99R38.6Very low39.2Very low249 Ų249134.3 Ų134.394%0.9482%0.816SS**  145.7114.6112.7-163.8178.5-159.2-132.26.4113.6
100G35.4Very low39.3Very low73 Ų73132.4 Ų132.475%0.75382%0.816SS**  trans86.1114.1157.700000115.2
101G35.8Very low39.8Very low62 Ų62131.2 Ų131.264%0.63981%0.805SS**  74.9118.977.800000108.7
102F39.2Very low40Very low199 Ų199132.8 Ų132.887%0.87380%0.801SS**  cis-163.5140.549.5-65.3-88.9000109.4
103N39.7Very low40.4Very low161 Ų161132.5 Ų132.586%0.86180%0.802SS**  trans-100.7148.7159.9-159.96.4000108.1
104R37.9Very low40.5Very low247 Ų247137.6 Ų137.693%0.93281%0.811SS**  trans107.9113158.9-147177.8-142.6-175.14117.8
105G38.9Very low41.1Very low78 Ų78140.5 Ų140.580%0.80481%0.805SS**  trans132.485.7169.900000109.1
106G37.8Very low41.9Very low88 Ų88135.7 Ų135.791%0.90778%0.782SS**  8883.252.100000108.3
107G35Very low42.6Very low85 Ų85135.2 Ų135.288%0.87679%0.785SS**  trans117.895.9174.800000113.7
108G35.8Very low45Very low81 Ų81130.5 Ų130.584%0.83576%0.764SS**  trans15371.1168.500000115.2
109A45.1Very low47.3Very low104 Ų104123.2 Ų123.286%0.8674%0.736SS**  trans-164.144.2154.500000112G111A109-G111 VanDerWaalsContact C-N 3.33Å
110S42.3Very low49.7Very low134 Ų134111.3 Ų111.394%0.93769%0.691SS**  trans-102.665.9151.3-174.50000106.5
111G47.6Very low52.4Low52 Ų52110.6 Ų110.654%0.53667%0.67SS.*SBendtrans-101.7147.2166.800000107.7A109 S113A109-G111 VanDerWaalsContact C-N 3.33Å; G111-S113 PolarHBondContact O-N 3.07Å
112P44.5Very low55.1Low108 Ų108107.7 Ų107.770%0.70164%0.639SS**  trans-54.5129.8-177.923.4-31.8000109.3R114P112-R114 PolarHBondContact O-N 2.9Å
113S47.9Very low57.6Low114 Ų114100.7 Ų100.780%0.79761%0.613SS**SBendtrans-41.1127.3-177.7-83.80000111.2G111 R115G111-S113 PolarHBondContact O-N 3.07Å; S113-R115 PolarHBondContact O-N 2.91Å
114R48.2Very low59.9Low231 Ų23194.9 Ų94.987%0.87259%0.591SS**  trans21.586.5158.2-60177.8-176.7-126.10.2113.3P112 S116P112-R114 PolarHBondContact O-N 2.9Å; R114-S116 PolarHBondContact O-N 2.67Å; R114-S116 PolarHBondContact O-OG 3.22Å
115R53Low62.2Low195 Ų19583.5 Ų83.574%0.73655%0.549SS*.  trans-43.6102.6165.1-72175.7172.3-163.1-10.1108.8S113S113-R115 PolarHBondContact O-N 2.91Å
116S55.4Low64.4Low29 Ų2980 Ų8020%0.20351%0.512CS..  trans-77.4132.4167.4-20.90000105.2R114 F118 E158R114-S116 PolarHBondContact O-N 2.67Å; R114-S116 PolarHBondContact O-OG 3.22Å; S116-F118 PolarHBondContact O-N 3Å; S116-E158 WeakPolarHBondContact CA-OE1 3.49Å; S116-E158 WeakPolarHBondContact CB-OE1 3.29Å; S116-E158 PolarHBondContact N-OE1 2.98Å; S116-E158 PolarHBondContact OG-OE1 3.17Å
117D66.2Low66.5Low152 Ų15281.4 Ų81.481%0.81351%0.505SS*.SBendtrans-66.64.6179.5-61.8-59.5000113.2R119D117-R119 VanDerWaalsContact C-N 3.35Å; D117-R119 PolarHBondContact O-N 3.36Å
118F83.6Confident68.8Low64 Ų6479.4 Ų79.428%0.28148%0.476SS..  trans-92.558.9-174.8-43.7-46.8000112.1S116 F159 Y162 M165S116-F118 PolarHBondContact O-N 3Å; F118-F159 HydrophobicContact CB-CB 4.4Å; F118-F159 PolarHBondContact O-N 3.33Å; F118-Y162 AromaticContact CD1-CD2 3.78Å; F118-Y162 HydrophobicContact CD1-CD2 3.78Å; F118-Y162 HydrophobicContact CD1-CG 4.28Å; F118-Y162 AromaticContact CE1-CD2 3.94Å; F118-Y162 HydrophobicContact CE1-CD2 3.94Å; F118-Y162 HydrophobicContact CE1-CG 4.19Å; F118-M165 VanDerWaalsContact CA-SD 3.53Å; F118-M165 HydrophobicContact CB-CB 4.16Å; F118-M165 HydrophobicContact CB-CG 4.37Å; F118-M165 HydrophobicContact CB-SD 3.92Å
119R84.9Confident70.9Confident81 Ų8176 Ų7631%0.30644%0.441SS..EExtended strand (participates in β ladder)trans-101.8135.6-178.5-174.5168.7166.3-137.1-13.3112D117 V157 E158 E192D117-R119 VanDerWaalsContact C-N 3.35Å; D117-R119 PolarHBondContact O-N 3.36Å; R119-V157 CarbonylContact C-O 3.59Å; R119-V157 WeakPolarHBondContact CA-O 3.34Å; R119-E158 HydrophobicContact CB-CG 4.45Å; R119-E192 HydrophobicContact CB-CB 4.35Å; R119-E192 VanDerWaalsContact CD-OE2 3.3Å; R119-E192 WeakPolarHBondContact CD-OE2 3.3Å; R119-E192 HydrophobicContact CG-CB 4.32Å; R119-E192 WeakPolarHBondContact CG-OE2 3.49Å; R119-E192 IonicContact CZ-OE1 2.74Å; R119-E192 IonicContact CZ-OE2 3.17Å; R119-E192 IonicContact NE-OE1 3.5Å; R119-E192 IonicContact NE-OE2 2.99Å; R119-E192 PolarHBondContact NE-OE2 2.91Å; R119-E192 VanDerWaalsContact NH1-CD 3.31Å; R119-E192 IonicContact NH1-OE1 3.13Å; R119-E192 PolarHBondContact NH1-OE1 3.49Å; R119-E192 IonicContact NH1-OE2 2.65Å; R119-E192 PolarHBondContact NH1-OE2 3.22Å; R119-E192 VanDerWaalsContact NH1-OE2 3.17Å; R119-E192 IonicContact NH2-OE1 3.21Å; R119-E192 PolarHBondContact NH2-OE1 2.91Å; R119-E192 IonicContact NH2-OE2 2.75Å; R119-E192 PolarHBondContact NH2-OE2 3.17Å; R119-E192 WeakPolarHBondContact O-CB 3.24Å; R119-E192 PolarHBondContact O-N 2.95Å
120V90.4Very high72.9Confident0 Ų072.6 Ų72.60%041%0.411CS..EExtended strand (participates in β ladder)trans-114.8146.2170.9-56.20000110.4V122 M138 V156 V157 F159 M165 I169 V189 R190V120-V122 HydrophobicContact CG2-CG2 4.31Å; V120-M138 HydrophobicContact CG2-CE 3.62Å; V120-V156 WeakPolarHBondContact O-CA 3.43Å; V120-V157 HydrophobicContact CG2-CB 3.7Å; V120-V157 HydrophobicContact CG2-CG1 4.45Å; V120-V157 WeakPolarHBondContact CG2-O 3.48Å; V120-V157 PolarHBondContact N-O 2.9Å; V120-V157 PolarHBondContact O-N 3.39Å; V120-F159 HydrophobicContact CG1-CD2 4.37Å; V120-F159 HydrophobicContact CG1-CE2 4.2Å; V120-F159 HydrophobicContact CG2-CD2 4.34Å; V120-F159 HydrophobicContact CG2-CE2 3.74Å; V120-M165 HydrophobicContact CG1-CG 3.44Å; V120-M165 VanDerWaalsContact CG1-CG 3.44Å; V120-M165 HydrophobicContact CG1-SD 4.39Å; V120-I169 HydrophobicContact CG1-CD1 3.95Å; V120-I169 HydrophobicContact CG1-CG1 3.83Å; V120-V189 HydrophobicContact CB-CG1 3.86Å; V120-V189 HydrophobicContact CG1-CG1 4.18Å; V120-V189 HydrophobicContact CG2-CG1 3.82Å; V120-R190 CarbonylContact C-O 3.5Å; V120-R190 VanDerWaalsContact CA-O 3.23Å; V120-R190 WeakPolarHBondContact CA-O 3.39Å; V120-R190 WeakPolarHBondContact CB-O 3.46Å
121I91.1Very high75.1Confident58 Ų5872.7 Ų72.730%0.29739%0.391SS..EExtended strand (participates in β ladder)trans-97.1129.2168.2-62.2167.6000107T123 G155 V156 R190 E192I121-T123 HydrophobicContact CG2-CG2 3.93Å; I121-G155 CarbonylContact C-O 3.53Å; I121-G155 WeakPolarHBondContact CA-O 3.1Å; I121-V156 HydrophobicContact CG1-CG1 4.28Å; I121-R190 PolarHBondContact N-O 2.82Å; I121-R190 PolarHBondContact O-N 3.19Å; I121-E192 HydrophobicContact CD1-CB 4.08Å; I121-E192 HydrophobicContact CD1-CG 3.86Å; I121-E192 HydrophobicContact CG1-CB 4.03Å; I121-E192 HydrophobicContact CG1-CG 4.2Å; I121-E192 WeakPolarHBondContact CG1-OE2 3.12Å
122V91.8Very high77.1Confident0 Ų075.5 Ų75.50%039%0.39CS..EExtended strand (participates in β ladder)trans-105.1130.9174.2-174.40000107.9V120 L125 L134 M138 T154 G155 V157 I187 R188 V189V120-V122 HydrophobicContact CG2-CG2 4.31Å; V122-L125 HydrophobicContact CG1-CD1 4.26Å; V122-L125 HydrophobicContact CG1-CD2 4.16Å; V122-L125 HydrophobicContact CG1-CG 4.13Å; V122-L134 HydrophobicContact CB-CD1 4.23Å; V122-L134 HydrophobicContact CB-CD2 4.48Å; V122-L134 HydrophobicContact CG1-CD1 3.94Å; V122-L134 HydrophobicContact CG2-CD1 4.11Å; V122-M138 HydrophobicContact CG2-CE 3.97Å; V122-M138 HydrophobicContact CG2-SD 4.47Å; V122-T154 CarbonylContact O-C 3.49Å; V122-T154 VanDerWaalsContact O-CA 3.29Å; V122-T154 WeakPolarHBondContact O-CA 3.08Å; V122-G155 PolarHBondContact N-O 3.45Å; V122-G155 PolarHBondContact O-N 3.21Å; V122-V157 HydrophobicContact CG2-CG2 3.85Å; V122-I187 HydrophobicContact CG1-CB 3.82Å; V122-I187 HydrophobicContact CG1-CD1 3.96Å; V122-I187 HydrophobicContact CG1-CG1 4.46Å; V122-I187 HydrophobicContact CG1-CG2 4.11Å; V122-R188 CarbonylContact C-O 3.56Å; V122-R188 VanDerWaalsContact CA-O 3.22Å; V122-R188 WeakPolarHBondContact CA-O 3.45Å; V122-V189 HydrophobicContact CG2-CG2 4.27Å
123T92.6Very high79.3Confident53 Ų5371.8 Ų71.833%0.32536%0.364SS..EExtended strand (participates in β ladder)trans-128.2160.9175.467.20000110.6I121 T154 I187 R188I121-T123 HydrophobicContact CG2-CG2 3.93Å; T123-T154 HydrophobicContact CG2-CG2 3.97Å; T123-I187 CarbonylContact O-C 3.48Å; T123-I187 VanDerWaalsContact O-CA 3.29Å; T123-I187 WeakPolarHBondContact O-CA 3.49Å; T123-R188 PolarHBondContact N-O 2.84Å; T123-R188 PolarHBondContact O-N 2.89Å
124G87.3Confident81.3Confident38 Ų3866.3 Ų66.339%0.39233%0.326SS..  trans82.821.7-17700000113.5G153 S185G124-G153 PolarHBondContact N-O 2.86Å; G124-G153 VanDerWaalsContact N-O 3.12Å; G124-S185 WeakPolarHBondContact O-CB 3.32Å
125L87.6Confident83.3Confident9 Ų958.4 Ų58.45%0.04730%0.298CS..  trans-71.3140.9173.4-67.8164.5000110V122 L134 V149 G153 F177 I187V122-L125 HydrophobicContact CG1-CD1 4.26Å; V122-L125 HydrophobicContact CG1-CD2 4.16Å; V122-L125 HydrophobicContact CG1-CG 4.13Å; L125-L134 HydrophobicContact CD1-CD2 4.04Å; L125-L134 HydrophobicContact CD2-CD1 4.04Å; L125-V149 HydrophobicContact CD1-CB 4.45Å; L125-V149 HydrophobicContact CD1-CG1 3.84Å; L125-V149 HydrophobicContact CD1-CG2 3.83Å; L125-G153 PolarHBondContact N-O 3.47Å; L125-F177 HydrophobicContact CD2-CD1 4.06Å; L125-F177 HydrophobicContact CD2-CD2 4.12Å; L125-F177 HydrophobicContact CD2-CE1 4Å; L125-F177 HydrophobicContact CD2-CE2 4.09Å; L125-F177 HydrophobicContact CD2-CG 4.07Å; L125-F177 HydrophobicContact CD2-CZ 3.98Å; L125-I187 HydrophobicContact CD2-CG2 3.51Å; L125-I187 HydrophobicContact CG-CG2 4.11Å
126P84.8Confident85.1Confident4 Ų453 Ų533%0.02628%0.283CS..  trans-63.5149.9172.128.9-32000109.1T128 G129 F177 E183P126-T128 PolarHBondContact O-N 3.39Å; P126-T128 VanDerWaalsContact O-N 3.12Å; P126-G129 WeakPolarHBondContact O-CA 3.36Å; P126-G129 PolarHBondContact O-N 2.97Å; P126-F177 VanDerWaalsContact CD-CE1 3.43Å; P126-F177 HydrophobicContact CG-CD1 3.54Å; P126-F177 HydrophobicContact CG-CE1 3.5Å; P126-E183 HydrophobicContact CB-CB 4.19Å
127P80.6Confident86.6Confident118 Ų11853.2 Ų53.277%0.76628%0.281SS*.THydrogen-bonded Turntrans-62.1-22-178.925.3-33.7000113.2
128T84.4Confident87.7Confident42 Ų4246 Ų4626%0.25824%0.243SC..THydrogen-bonded Turntrans-86.5-7.7173.755.10000113.6P126 S130 S179 H180 E181 E183P126-T128 PolarHBondContact O-N 3.39Å; P126-T128 VanDerWaalsContact O-N 3.12Å; T128-S130 PolarHBondContact O-N 3.33Å; T128-S179 WeakPolarHBondContact OG1-CB 3.47Å; T128-S179 PolarHBondContact OG1-OG 3Å; T128-H180 PolarHBondContact O-CE1 2.86Å; T128-E181 HydrophobicContact CG2-CB 4.21Å; T128-E181 HydrophobicContact CG2-CG 4.16Å; T128-E183 WeakPolarHBondContact CB-OE2 3.29Å; T128-E183 HydrophobicContact CG2-CG 4.49Å; T128-E183 VanDerWaalsContact CG2-OE2 3.24Å; T128-E183 WeakPolarHBondContact CG2-OE2 3.3Å; T128-E183 PolarHBondContact OG1-OE2 3.44Å
129G80.1Confident87.9Confident10 Ų1049.8 Ų49.810%0.10326%0.255CS..  trans-65.6120.7-177.700000111.5P126 V149P126-G129 WeakPolarHBondContact O-CA 3.36Å; P126-G129 PolarHBondContact O-N 2.97Å; G129-V149 WeakPolarHBondContact O-CG1 3.46Å
130S87.2Confident88.1Confident33 Ų3352.1 Ų52.123%0.23127%0.269CS..  trans-89.1158.5176.3740000111.6T128 Q132 D133 L134T128-S130 PolarHBondContact O-N 3.33Å; S130-Q132 PolarHBondContact O-N 3.45Å; S130-Q132 PolarHBondContact OG-N 2.92Å; S130-D133 WeakPolarHBondContact CB-OD2 3.29Å; S130-D133 PolarHBondContact N-OD2 2.74Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 PolarHBondContact OG-N 3.27Å; S130-D133 VanDerWaalsContact OG-N 3.12Å; S130-D133 PolarHBondContact OG-OD2 3.05Å; S130-L134 PolarHBondContact O-N 3.17Å
131W89Confident87.8Confident135 Ų13552.6 Ų52.651%0.51127%0.273SS..Hα-helixtrans-59.3-26.7171.768.5-94.4000112.6K135 V149W131-K135 HydrophobicContact CZ3-CD 4.26Å; W131-K135 VanDerWaalsContact O-CB 3.28Å; W131-K135 WeakPolarHBondContact O-CB 3.41Å; W131-K135 PolarHBondContact O-N 3.19Å; W131-V149 HydrophobicContact CB-CB 4.46Å; W131-V149 HydrophobicContact CB-CG2 4.14Å
132Q89.3Confident87.7Confident111 Ų11150.7 Ų50.752%0.51927%0.268SS..Hα-helixtrans-71.7-48177.2-176.6175.8-14.600110.8S130 L134 K135 D136S130-Q132 PolarHBondContact O-N 3.45Å; S130-Q132 PolarHBondContact OG-N 2.92Å; Q132-L134 VanDerWaalsContact C-N 3.26Å; Q132-L134 PolarHBondContact O-N 2.74Å; Q132-K135 WeakPolarHBondContact O-CB 3.49Å; Q132-K135 PolarHBondContact O-N 3.43Å; Q132-K135 VanDerWaalsContact O-N 3.13Å; Q132-D136 PolarHBondContact O-N 3.47Å
133D89.8Confident87.4Confident30 Ų3053 Ų5316%0.1628%0.281CS..Hα-helixtrans-57-44.3173.9-60.8-43.3000110S130 K135 D136 H137 F177 H180S130-D133 WeakPolarHBondContact CB-OD2 3.29Å; S130-D133 PolarHBondContact N-OD2 2.74Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 PolarHBondContact OG-N 3.27Å; S130-D133 VanDerWaalsContact OG-N 3.12Å; S130-D133 PolarHBondContact OG-OD2 3.05Å; D133-K135 PolarHBondContact O-N 2.95Å; D133-D136 PolarHBondContact O-N 2.92Å; D133-H137 WeakPolarHBondContact O-CB 3.48Å; D133-H137 PolarHBondContact O-N 2.94Å; D133-F177 HydrophobicContact CB-CE1 4.43Å; D133-F177 HydrophobicContact CB-CE2 3.91Å; D133-F177 HydrophobicContact CB-CZ 3.45Å; D133-F177 VanDerWaalsContact CB-CZ 3.45Å; D133-H180 IonicContact OD2-CG 3.95Å; D133-H180 PolarHBondContact OD2-N 2.67Å; D133-H180 IonicContact OD2-ND1 3.47Å; D133-H180 PolarHBondContact OD2-ND1 3.2Å
134L90.3Very high87.2Confident0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-60.6-45.3176.1178.758.9000111.9V122 L125 S130 Q132 H137 M138 V149 V157 F177V122-L134 HydrophobicContact CB-CD1 4.23Å; V122-L134 HydrophobicContact CB-CD2 4.48Å; V122-L134 HydrophobicContact CG1-CD1 3.94Å; V122-L134 HydrophobicContact CG2-CD1 4.11Å; L125-L134 HydrophobicContact CD1-CD2 4.04Å; L125-L134 HydrophobicContact CD2-CD1 4.04Å; S130-L134 PolarHBondContact O-N 3.17Å; Q132-L134 VanDerWaalsContact C-N 3.26Å; Q132-L134 PolarHBondContact O-N 2.74Å; L134-H137 PolarHBondContact O-N 3.26Å; L134-M138 HydrophobicContact CD1-CG 3.77Å; L134-M138 HydrophobicContact CG-CG 4.35Å; L134-M138 WeakPolarHBondContact O-CB 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.43Å; L134-M138 PolarHBondContact O-N 2.77Å; L134-V149 HydrophobicContact CB-CG2 3.87Å; L134-V149 HydrophobicContact CD2-CG2 3.48Å; L134-V149 VanDerWaalsContact CD2-CG2 3.48Å; L134-V149 HydrophobicContact CG-CG2 4.32Å; L134-V157 HydrophobicContact CD1-CG2 4.14Å; L134-V157 HydrophobicContact CD2-CG2 3.56Å; L134-V157 HydrophobicContact CG-CG2 3.73Å; L134-F177 HydrophobicContact CB-CE2 4.34Å
135K90.2Very high87.1Confident65 Ų6551.2 Ų51.228%0.28327%0.27SS..Hα-helixtrans-61.5-46.8179-172.3171.9-176.3174.50111.2W131 Q132 D133 M138 R139 V144 A147W131-K135 HydrophobicContact CZ3-CD 4.26Å; W131-K135 VanDerWaalsContact O-CB 3.28Å; W131-K135 WeakPolarHBondContact O-CB 3.41Å; W131-K135 PolarHBondContact O-N 3.19Å; Q132-K135 WeakPolarHBondContact O-CB 3.49Å; Q132-K135 PolarHBondContact O-N 3.43Å; Q132-K135 VanDerWaalsContact O-N 3.13Å; D133-K135 PolarHBondContact O-N 2.95Å; K135-M138 PolarHBondContact O-N 3.13Å; K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.48Å; K135-V144 HydrophobicContact CD-CG1 4.48Å; K135-V144 WeakPolarHBondContact CE-O 3.46Å; K135-V144 HydrophobicContact CG-CB 4.07Å; K135-V144 HydrophobicContact CG-CG1 3.93Å; K135-A147 HydrophobicContact CB-CB 3.87Å; K135-A147 HydrophobicContact CG-CB 4.3Å
136D89.7Confident86.9Confident80 Ų8055.5 Ų55.543%0.42829%0.286SS..Hα-helixtrans-67.3-37.6-178.9-75.7-22.7000112Q132 D133 R139Q132-D136 PolarHBondContact O-N 3.47Å; D133-D136 PolarHBondContact O-N 2.92Å; D136-R139 WeakPolarHBondContact O-CB 3.4Å; D136-R139 PolarHBondContact O-N 2.66Å; D136-R139 IonicContact OD1-NH1 2.89Å; D136-R139 PolarHBondContact OD1-NH1 2.89Å
137H88.2Confident87.2Confident35 Ų3555.9 Ų55.916%0.16229%0.29CS..Hα-helixtrans-63.3-42.2172.4-16886.2000112D133 L134 R139 E140 S175 K176 F177D133-H137 WeakPolarHBondContact O-CB 3.48Å; D133-H137 PolarHBondContact O-N 2.94Å; L134-H137 PolarHBondContact O-N 3.26Å; H137-R139 VanDerWaalsContact C-N 3.28Å; H137-R139 PolarHBondContact O-N 3.16Å; H137-E140 WeakPolarHBondContact O-CB 3.23Å; H137-E140 PolarHBondContact O-N 2.77Å; H137-S175 PolarHBondContact NE2-OG 2.87Å; H137-K176 PolarHBondContact CE1-O 2.93Å; H137-F177 HydrophobicContact CB-CD2 3.96Å; H137-F177 HydrophobicContact CB-CE2 4.15Å; H137-F177 AromaticContact CG-CD2 3.93Å
138M88.6Confident87.5Confident0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-77.8-13.4-177.8-65.1-73-78.900113.5V120 V122 L134 K135 E140 A141 V144 V157 F159 A168 L172 V189V120-M138 HydrophobicContact CG2-CE 3.62Å; V122-M138 HydrophobicContact CG2-CE 3.97Å; V122-M138 HydrophobicContact CG2-SD 4.47Å; L134-M138 HydrophobicContact CD1-CG 3.77Å; L134-M138 HydrophobicContact CG-CG 4.35Å; L134-M138 WeakPolarHBondContact O-CB 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.43Å; L134-M138 PolarHBondContact O-N 2.77Å; K135-M138 PolarHBondContact O-N 3.13Å; M138-E140 PolarHBondContact O-N 2.87Å; M138-A141 PolarHBondContact O-N 3.42Å; M138-A141 VanDerWaalsContact O-N 3.09Å; M138-V144 HydrophobicContact CB-CG2 3.78Å; M138-V157 HydrophobicContact CB-CG1 4.1Å; M138-V157 HydrophobicContact CE-CB 4.06Å; M138-V157 HydrophobicContact CE-CG1 4.06Å; M138-V157 HydrophobicContact CE-CG2 4.13Å; M138-V157 HydrophobicContact CG-CG1 4.31Å; M138-V157 HydrophobicContact CG-CG2 4.11Å; M138-F159 HydrophobicContact CB-CZ 4.32Å; M138-F159 HydrophobicContact CE-CE2 3.79Å; M138-F159 HydrophobicContact CE-CZ 3.63Å; M138-A168 HydrophobicContact CE-CB 4.07Å; M138-L172 HydrophobicContact CE-CD1 4.5Å; M138-L172 HydrophobicContact SD-CB 4.27Å; M138-L172 HydrophobicContact SD-CD1 3.52Å; M138-L172 VanDerWaalsContact SD-CD1 3.52Å; M138-V189 HydrophobicContact CE-CG1 3.9Å; M138-V189 HydrophobicContact CE-CG2 4.16Å; M138-V189 HydrophobicContact SD-CG2 4.12Å
139R88.9Confident87.8Confident144 Ų14452.1 Ų52.154%0.54326%0.263SS..THydrogen-bonded Turntrans-64-19.1170.1-80.7170.385.3174.54.6113.3K135 D136 H137 A141 G142K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.48Å; D136-R139 WeakPolarHBondContact O-CB 3.4Å; D136-R139 PolarHBondContact O-N 2.66Å; D136-R139 IonicContact OD1-NH1 2.89Å; D136-R139 PolarHBondContact OD1-NH1 2.89Å; H137-R139 VanDerWaalsContact C-N 3.28Å; H137-R139 PolarHBondContact O-N 3.16Å; R139-A141 PolarHBondContact O-N 2.99Å; R139-G142 WeakPolarHBondContact CA-O 3.45Å; R139-G142 PolarHBondContact O-N 3.5Å
140E87.5Confident88.1Confident129 Ų12956 Ų5660%0.60328%0.277SS*.THydrogen-bonded Turntrans-61.6-29.6171.7-173.9176.3163.600111.9H137 M138 L172H137-E140 WeakPolarHBondContact O-CB 3.23Å; H137-E140 PolarHBondContact O-N 2.77Å; M138-E140 PolarHBondContact O-N 2.87Å; E140-L172 HydrophobicContact CB-CD2 4.18Å; E140-L172 HydrophobicContact CG-CD2 4.37Å
141A85.7Confident87.8Confident10 Ų1066.9 Ų66.98%0.08331%0.313CS..THydrogen-bonded Turntrans-88.6-24.3177.400000114.7M138 R139 F159 Y167 A168 L172M138-A141 PolarHBondContact O-N 3.42Å; M138-A141 VanDerWaalsContact O-N 3.09Å; R139-A141 PolarHBondContact O-N 2.99Å; A141-F159 HydrophobicContact CB-CE1 4.16Å; A141-F159 HydrophobicContact CB-CZ 4.21Å; A141-Y167 HydrophobicContact CB-CD1 3.78Å; A141-A168 HydrophobicContact CB-CB 3.5Å; A141-A168 VanDerWaalsContact CB-CB 3.5Å; A141-L172 HydrophobicContact CB-CD1 3.42Å; A141-L172 VanDerWaalsContact CB-CD1 3.42Å; A141-L172 HydrophobicContact CB-CG 4.18Å
142G87.4Confident87.6Confident18 Ų1866 Ų6619%0.18632%0.318CS..SBendtrans155.4-165.117900000113.9R139 V144R139-G142 WeakPolarHBondContact CA-O 3.45Å; R139-G142 PolarHBondContact O-N 3.5Å; G142-V144 PolarHBondContact O-N 2.82Å
143D86Confident87.2Confident50 Ų5061.3 Ų61.327%0.26730%0.3SS..  trans-79.3112-173.8-80.9-54.3000111.7L160 D164D143-L160 HydrophobicContact CB-CD1 3.82Å; D143-L160 HydrophobicContact CB-CG 4.38Å; D143-L160 PolarHBondContact O-N 2.75Å; D143-D164 PolarHBondContact N-OD2 3.48Å; D143-D164 VanDerWaalsContact N-OD2 3.16Å
144V87.8Confident87.2Confident11 Ų1161.6 Ų61.67%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-86.2113.2178.2178.50000110.4K135 M138 G142 Y146 A147 V157 F159K135-V144 HydrophobicContact CD-CG1 4.48Å; K135-V144 WeakPolarHBondContact CE-O 3.46Å; K135-V144 HydrophobicContact CG-CB 4.07Å; K135-V144 HydrophobicContact CG-CG1 3.93Å; M138-V144 HydrophobicContact CB-CG2 3.78Å; G142-V144 PolarHBondContact O-N 2.82Å; V144-Y146 VanDerWaalsContact CG1-O 3.29Å; V144-Y146 WeakPolarHBondContact CG1-O 3.33Å; V144-A147 HydrophobicContact CG1-CB 4.06Å; V144-V157 HydrophobicContact CB-CG1 4.36Å; V144-V157 HydrophobicContact CG1-CG1 3.54Å; V144-V157 HydrophobicContact CG2-CG1 3.9Å; V144-F159 HydrophobicContact CG2-CD1 4.2Å; V144-F159 HydrophobicContact CG2-CE1 3.78Å; V144-F159 HydrophobicContact CG2-CZ 4.4Å
145G85.1Confident87.2Confident42 Ų4261.6 Ų61.643%0.43330%0.303SS..EExtended strand (participates in β ladder)trans-78.3-38.3176.500000112.9E158G145-E158 PolarHBondContact N-O 3.48Å
146Y85Confident87.2Confident98 Ų9858.8 Ų58.838%0.38429%0.291SS..EExtended strand (participates in β ladder)trans-141.9139.6179.9-176.8-95.9000110.4V144 D148 V156 V157 E158V144-Y146 VanDerWaalsContact CG1-O 3.29Å; V144-Y146 WeakPolarHBondContact CG1-O 3.33Å; Y146-D148 HydrophobicContact CE1-CB 3.61Å; Y146-D148 PolarHBondContact OH-OD2 3.15Å; Y146-V156 HydrophobicContact CE1-CG2 4.12Å; Y146-V157 CarbonylContact O-C 3.51Å; Y146-V157 WeakPolarHBondContact O-CA 3.35Å; Y146-E158 PolarHBondContact N-O 3.27Å; Y146-E158 PolarHBondContact O-N 3.27Å
147A89.6Confident87.3Confident12 Ų1255 Ų5510%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-142.8139.917100000108.6K135 V144 V156 V157K135-A147 HydrophobicContact CB-CB 3.87Å; K135-A147 HydrophobicContact CG-CB 4.3Å; V144-A147 HydrophobicContact CG1-CB 4.06Å; A147-V156 CarbonylContact C-O 3.49Å; A147-V156 VanDerWaalsContact CA-O 3.29Å; A147-V156 WeakPolarHBondContact CA-O 3.47Å; A147-V157 HydrophobicContact CB-CG2 4.36Å
148D88.7Confident87.4Confident49 Ų4954.4 Ų54.426%0.26227%0.268SS..EExtended strand (participates in β ladder)trans-147.3148.8177.8-158.6-0.6000109.6Y146 G155 V156Y146-D148 HydrophobicContact CE1-CB 3.61Å; Y146-D148 PolarHBondContact OH-OD2 3.15Å; D148-G155 CarbonylContact O-C 3.53Å; D148-G155 WeakPolarHBondContact O-CA 3.28Å; D148-V156 HydrophobicContact CB-CG2 3.74Å; D148-V156 PolarHBondContact N-O 2.81Å; D148-V156 PolarHBondContact O-N 3.48Å
149V88.9Confident87.3Confident32 Ų3254.4 Ų54.419%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-130.8130-178177.90000109.1L125 G129 W131 L134L125-V149 HydrophobicContact CD1-CB 4.45Å; L125-V149 HydrophobicContact CD1-CG1 3.84Å; L125-V149 HydrophobicContact CD1-CG2 3.83Å; G129-V149 WeakPolarHBondContact O-CG1 3.46Å; W131-V149 HydrophobicContact CB-CB 4.46Å; W131-V149 HydrophobicContact CB-CG2 4.14Å; L134-V149 HydrophobicContact CB-CG2 3.87Å; L134-V149 HydrophobicContact CD2-CG2 3.48Å; L134-V149 VanDerWaalsContact CD2-CG2 3.48Å; L134-V149 HydrophobicContact CG-CG2 4.32Å
150F87.5Confident87.1Confident93 Ų9352.1 Ų52.141%0.40827%0.266SS..  trans-98.8153.2179.4-56.6-76.3000110.2D152 G153 T154 V156F150-D152 WeakPolarHBondContact CB-OD1 3.49Å; F150-D152 PolarHBondContact O-N 3.35Å; F150-D152 VanDerWaalsContact O-N 3.1Å; F150-G153 PolarHBondContact O-N 3.16Å; F150-T154 WeakPolarHBondContact CA-O 3.36Å; F150-T154 WeakPolarHBondContact CB-O 3.38Å; F150-T154 WeakPolarHBondContact CD2-OG1 3.32Å; F150-T154 PolarHBondContact N-O 2.99Å; F150-V156 HydrophobicContact CE2-CB 4.37Å; F150-V156 HydrophobicContact CE2-CG1 3.79Å; F150-V156 HydrophobicContact CE2-CG2 3.8Å; F150-V156 HydrophobicContact CZ-CG2 4.09Å
151R80.8Confident86.9Confident260 Ų26048.3 Ų48.398%0.98125%0.246SC*.THydrogen-bonded Turntrans-66.9-10.3-177.4-69.5-179.6176.2-147.2-2.4114.3G153R151-G153 PolarHBondContact O-N 3.05Å
152D84.6Confident86.7Confident116 Ų11652.5 Ų52.562%0.6226%0.261SS*.THydrogen-bonded Turntrans-84.96.8176.965.2-13.7000113F150 T154F150-D152 WeakPolarHBondContact CB-OD1 3.49Å; F150-D152 PolarHBondContact O-N 3.35Å; F150-D152 VanDerWaalsContact O-N 3.1Å; D152-T154 VanDerWaalsContact CG-OG1 3.23Å; D152-T154 PolarHBondContact O-N 2.89Å; D152-T154 WeakPolarHBondContact OD1-CB 3.1Å; D152-T154 PolarHBondContact OD1-N 2.77Å; D152-T154 PolarHBondContact OD1-OG1 3.13Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.13Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; D152-T154 VanDerWaalsContact OD2-OG1 3.14Å
153G81.6Confident86.7Confident13 Ų1358 Ų5813%0.13428%0.282CS..SBendtrans75.914.2-176.400000112.8G124 L125 F150 R151G124-G153 PolarHBondContact N-O 2.86Å; G124-G153 VanDerWaalsContact N-O 3.12Å; L125-G153 PolarHBondContact N-O 3.47Å; F150-G153 PolarHBondContact O-N 3.16Å; R151-G153 PolarHBondContact O-N 3.05Å
154T89.3Confident86.9Confident36 Ų3656.9 Ų56.922%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-100.9153.4168.175.20000110.2V122 T123 F150 D152V122-T154 CarbonylContact O-C 3.49Å; V122-T154 VanDerWaalsContact O-CA 3.29Å; V122-T154 WeakPolarHBondContact O-CA 3.08Å; T123-T154 HydrophobicContact CG2-CG2 3.97Å; F150-T154 WeakPolarHBondContact CA-O 3.36Å; F150-T154 WeakPolarHBondContact CB-O 3.38Å; F150-T154 WeakPolarHBondContact CD2-OG1 3.32Å; F150-T154 PolarHBondContact N-O 2.99Å; D152-T154 VanDerWaalsContact CG-OG1 3.23Å; D152-T154 PolarHBondContact O-N 2.89Å; D152-T154 WeakPolarHBondContact OD1-CB 3.1Å; D152-T154 PolarHBondContact OD1-N 2.77Å; D152-T154 PolarHBondContact OD1-OG1 3.13Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.13Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; D152-T154 VanDerWaalsContact OD2-OG1 3.14Å
155G90Very high86.9Confident0 Ų056.5 Ų56.50%027%0.273CS..EExtended strand (participates in β ladder)trans-146162.8177.200000109.3I121 V122 D148I121-G155 CarbonylContact C-O 3.53Å; I121-G155 WeakPolarHBondContact CA-O 3.1Å; V122-G155 PolarHBondContact N-O 3.45Å; V122-G155 PolarHBondContact O-N 3.21Å; D148-G155 CarbonylContact O-C 3.53Å; D148-G155 WeakPolarHBondContact O-CA 3.28Å
156V91.2Very high87.1Confident7 Ų758.4 Ų58.44%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-130.8137.9179.4-69.30000108.6V120 I121 Y146 A147 D148 F150V120-V156 WeakPolarHBondContact O-CA 3.43Å; I121-V156 HydrophobicContact CG1-CG1 4.28Å; Y146-V156 HydrophobicContact CE1-CG2 4.12Å; A147-V156 CarbonylContact C-O 3.49Å; A147-V156 VanDerWaalsContact CA-O 3.29Å; A147-V156 WeakPolarHBondContact CA-O 3.47Å; D148-V156 HydrophobicContact CB-CG2 3.74Å; D148-V156 PolarHBondContact N-O 2.81Å; D148-V156 PolarHBondContact O-N 3.48Å; F150-V156 HydrophobicContact CE2-CB 4.37Å; F150-V156 HydrophobicContact CE2-CG1 3.79Å; F150-V156 HydrophobicContact CE2-CG2 3.8Å; F150-V156 HydrophobicContact CZ-CG2 4.09Å
157V91.2Very high87.3Confident0 Ų059.3 Ų59.30%027%0.273CS..EExtended strand (participates in β ladder)trans-134.4127.9-177.1-176.70000107.9R119 V120 V122 L134 M138 V144 Y146 A147 F159R119-V157 CarbonylContact C-O 3.59Å; R119-V157 WeakPolarHBondContact CA-O 3.34Å; V120-V157 HydrophobicContact CG2-CB 3.7Å; V120-V157 HydrophobicContact CG2-CG1 4.45Å; V120-V157 WeakPolarHBondContact CG2-O 3.48Å; V120-V157 PolarHBondContact N-O 2.9Å; V120-V157 PolarHBondContact O-N 3.39Å; V122-V157 HydrophobicContact CG2-CG2 3.85Å; L134-V157 HydrophobicContact CD1-CG2 4.14Å; L134-V157 HydrophobicContact CD2-CG2 3.56Å; L134-V157 HydrophobicContact CG-CG2 3.73Å; M138-V157 HydrophobicContact CB-CG1 4.1Å; M138-V157 HydrophobicContact CE-CB 4.06Å; M138-V157 HydrophobicContact CE-CG1 4.06Å; M138-V157 HydrophobicContact CE-CG2 4.13Å; M138-V157 HydrophobicContact CG-CG1 4.31Å; M138-V157 HydrophobicContact CG-CG2 4.11Å; V144-V157 HydrophobicContact CB-CG1 4.36Å; V144-V157 HydrophobicContact CG1-CG1 3.54Å; V144-V157 HydrophobicContact CG2-CG1 3.9Å; Y146-V157 CarbonylContact O-C 3.51Å; Y146-V157 WeakPolarHBondContact O-CA 3.35Å; A147-V157 HydrophobicContact CB-CG2 4.36Å; V157-F159 HydrophobicContact CG1-CE2 4.07Å; V157-F159 HydrophobicContact CG1-CZ 4.16Å
158E89.4Confident87.4Confident22 Ų2258.7 Ų58.710%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-108.3122.8175.4-158.9-178119.400108.6S116 R119 G145 Y146S116-E158 WeakPolarHBondContact CA-OE1 3.49Å; S116-E158 WeakPolarHBondContact CB-OE1 3.29Å; S116-E158 PolarHBondContact N-OE1 2.98Å; S116-E158 PolarHBondContact OG-OE1 3.17Å; R119-E158 HydrophobicContact CB-CG 4.45Å; G145-E158 PolarHBondContact N-O 3.48Å; Y146-E158 PolarHBondContact N-O 3.27Å; Y146-E158 PolarHBondContact O-N 3.27Å
159F87.6Confident87.4Confident0 Ų058.4 Ų58.40%027%0.266CS..EExtended strand (participates in β ladder)trans-89.4148.3173.8-71.6-81.2000110.3F118 V120 M138 A141 V144 V157 R161 D164 M165 A168F118-F159 HydrophobicContact CB-CB 4.4Å; F118-F159 PolarHBondContact O-N 3.33Å; V120-F159 HydrophobicContact CG1-CD2 4.37Å; V120-F159 HydrophobicContact CG1-CE2 4.2Å; V120-F159 HydrophobicContact CG2-CD2 4.34Å; V120-F159 HydrophobicContact CG2-CE2 3.74Å; M138-F159 HydrophobicContact CB-CZ 4.32Å; M138-F159 HydrophobicContact CE-CE2 3.79Å; M138-F159 HydrophobicContact CE-CZ 3.63Å; A141-F159 HydrophobicContact CB-CE1 4.16Å; A141-F159 HydrophobicContact CB-CZ 4.21Å; V144-F159 HydrophobicContact CG2-CD1 4.2Å; V144-F159 HydrophobicContact CG2-CE1 3.78Å; V144-F159 HydrophobicContact CG2-CZ 4.4Å; V157-F159 HydrophobicContact CG1-CE2 4.07Å; V157-F159 HydrophobicContact CG1-CZ 4.16Å; F159-R161 WeakPolarHBondContact CB-O 3.22Å; F159-R161 PolarHBondContact O-N 3.34Å; F159-D164 HydrophobicContact CB-CB 4.27Å; F159-D164 HydrophobicContact CD1-CB 3.69Å; F159-D164 HydrophobicContact CE1-CB 4.34Å; F159-D164 HydrophobicContact CG-CB 4.16Å; F159-M165 HydrophobicContact CB-CB 4.16Å; F159-M165 HydrophobicContact CD2-CB 3.86Å; F159-M165 HydrophobicContact CD2-CG 4.11Å; F159-M165 HydrophobicContact CG-CB 4.24Å; F159-A168 HydrophobicContact CE1-CB 4.26Å; F159-A168 HydrophobicContact CE2-CB 3.48Å; F159-A168 VanDerWaalsContact CE2-CB 3.48Å; F159-A168 HydrophobicContact CZ-CB 3.3Å
160L84.2Confident87.4Confident96 Ų9666.3 Ų66.350%0.50329%0.292SS..SBendtrans-69.4-24.9171-64.6179.6000111.8D143D143-L160 HydrophobicContact CB-CD1 3.82Å; D143-L160 HydrophobicContact CB-CG 4.38Å; D143-L160 PolarHBondContact O-N 2.75Å
161R83.1Confident87.4Confident50 Ų5069.9 Ų69.919%0.18930%0.303CS..SBendtrans-129.2144.1-173.6-61.8177.8174.4-156.9-7.5112.2G64 D66 F159 E163 D164 M165G64-R161 VanDerWaalsContact O-CZ 3.32Å; G64-R161 PolarHBondContact O-NH1 2.91Å; G64-R161 PolarHBondContact O-NH2 3.27Å; D66-R161 PolarHBondContact O-NH2 3.34Å; F159-R161 WeakPolarHBondContact CB-O 3.22Å; F159-R161 PolarHBondContact O-N 3.34Å; R161-E163 VanDerWaalsContact C-N 3.32Å; R161-E163 PolarHBondContact O-N 2.79Å; R161-D164 HydrophobicContact CB-CB 4.28Å; R161-D164 PolarHBondContact O-N 2.95Å; R161-M165 PolarHBondContact O-N 3.09Å; R161-M165 VanDerWaalsContact O-N 3.13Å
162Y82.7Confident87.7Confident98 Ų9857.6 Ų57.638%0.38426%0.257SS..Hα-helixtrans-64.4-35.3175.2-179.4-107.3000113F118 M165 K166F118-Y162 AromaticContact CD1-CD2 3.78Å; F118-Y162 HydrophobicContact CD1-CD2 3.78Å; F118-Y162 HydrophobicContact CD1-CG 4.28Å; F118-Y162 AromaticContact CE1-CD2 3.94Å; F118-Y162 HydrophobicContact CE1-CD2 3.94Å; F118-Y162 HydrophobicContact CE1-CG 4.19Å; Y162-M165 HydrophobicContact CD2-CE 3.64Å; Y162-M165 HydrophobicContact CE2-CE 3.5Å; Y162-M165 VanDerWaalsContact CE2-CE 3.5Å; Y162-M165 WeakPolarHBondContact O-CB 3.27Å; Y162-M165 PolarHBondContact O-N 3.4Å; Y162-K166 HydrophobicContact CD1-CD 4.43Å; Y162-K166 HydrophobicContact CE1-CD 3.65Å; Y162-K166 HydrophobicContact CE1-CG 4.4Å; Y162-K166 PolarHBondContact O-N 2.71Å; Y162-K166 WeakPolarHBondContact OH-CE 3.36Å; Y162-K166 PolarHBondContact OH-NZ 2.65Å
163E86.6Confident87.9Confident134 Ų13454.7 Ų54.763%0.62624%0.242SC*.Hα-helixtrans-64.4-47.5178.3-65.1-175.9173.800111.1R161 M165 K166 Y167R161-E163 VanDerWaalsContact C-N 3.32Å; R161-E163 PolarHBondContact O-N 2.79Å; E163-M165 VanDerWaalsContact C-N 3.31Å; E163-M165 PolarHBondContact O-N 3.31Å; E163-K166 PolarHBondContact O-N 3.14Å; E163-K166 VanDerWaalsContact O-N 3.15Å; E163-Y167 WeakPolarHBondContact O-CB 3.49Å; E163-Y167 PolarHBondContact O-N 3.13Å
164D89.4Confident88.3Confident25 Ų2557.7 Ų57.713%0.13425%0.254CS..Hα-helixtrans-59.4-43.2176.2-57.53.2000110.7D143 F159 R161 K166 Y167 A168D143-D164 PolarHBondContact N-OD2 3.48Å; D143-D164 VanDerWaalsContact N-OD2 3.16Å; F159-D164 HydrophobicContact CB-CB 4.27Å; F159-D164 HydrophobicContact CD1-CB 3.69Å; F159-D164 HydrophobicContact CE1-CB 4.34Å; F159-D164 HydrophobicContact CG-CB 4.16Å; R161-D164 HydrophobicContact CB-CB 4.28Å; R161-D164 PolarHBondContact O-N 2.95Å; D164-K166 PolarHBondContact O-N 2.75Å; D164-Y167 PolarHBondContact O-N 2.85Å; D164-A168 WeakPolarHBondContact O-CB 3.5Å; D164-A168 PolarHBondContact O-N 3.43Å
165M88.2Confident88.3Confident3 Ų356.9 Ų56.92%0.01525%0.25CS..Hα-helixtrans-58.4-48.6173.9-171.4-160.174.100112F118 V120 F159 R161 Y162 E163 Y167 A168 I169 E191F118-M165 VanDerWaalsContact CA-SD 3.53Å; F118-M165 HydrophobicContact CB-CB 4.16Å; F118-M165 HydrophobicContact CB-CG 4.37Å; F118-M165 HydrophobicContact CB-SD 3.92Å; V120-M165 HydrophobicContact CG1-CG 3.44Å; V120-M165 VanDerWaalsContact CG1-CG 3.44Å; V120-M165 HydrophobicContact CG1-SD 4.39Å; F159-M165 HydrophobicContact CB-CB 4.16Å; F159-M165 HydrophobicContact CD2-CB 3.86Å; F159-M165 HydrophobicContact CD2-CG 4.11Å; F159-M165 HydrophobicContact CG-CB 4.24Å; R161-M165 PolarHBondContact O-N 3.09Å; R161-M165 VanDerWaalsContact O-N 3.13Å; Y162-M165 HydrophobicContact CD2-CE 3.64Å; Y162-M165 HydrophobicContact CE2-CE 3.5Å; Y162-M165 VanDerWaalsContact CE2-CE 3.5Å; Y162-M165 WeakPolarHBondContact O-CB 3.27Å; Y162-M165 PolarHBondContact O-N 3.4Å; E163-M165 VanDerWaalsContact C-N 3.31Å; E163-M165 PolarHBondContact O-N 3.31Å; M165-Y167 VanDerWaalsContact C-N 3.32Å; M165-Y167 PolarHBondContact O-N 3.43Å; M165-A168 WeakPolarHBondContact O-CB 3.49Å; M165-A168 PolarHBondContact O-N 3.3Å; M165-I169 HydrophobicContact CE-CD1 4.21Å; M165-I169 HydrophobicContact CG-CD1 4.19Å; M165-I169 WeakPolarHBondContact O-CD1 3.4Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 3.35Å; M165-E191 HydrophobicContact CE-CG 4.29Å
166K88.9Confident88.3Confident83 Ų8363 Ų6336%0.36128%0.277SS..Hα-helixtrans-64.1-38.5178-110.1-178.7173.3163.30111.9Y162 E163 D164 R170Y162-K166 HydrophobicContact CD1-CD 4.43Å; Y162-K166 HydrophobicContact CE1-CD 3.65Å; Y162-K166 HydrophobicContact CE1-CG 4.4Å; Y162-K166 PolarHBondContact O-N 2.71Å; Y162-K166 WeakPolarHBondContact OH-CE 3.36Å; Y162-K166 PolarHBondContact OH-NZ 2.65Å; E163-K166 PolarHBondContact O-N 3.14Å; E163-K166 VanDerWaalsContact O-N 3.15Å; D164-K166 PolarHBondContact O-N 2.75Å; K166-R170 WeakPolarHBondContact O-CG 3.3Å; K166-R170 PolarHBondContact O-N 2.82Å; K166-R170 VanDerWaalsContact O-N 3.16Å
167Y90.2Very high88.2Confident116 Ų11662.7 Ų62.746%0.45528%0.275SS..Hα-helixtrans-65.6-44.8176.8-170.1-87.3000110.6A141 E163 D164 M165 I169 R170 R171A141-Y167 HydrophobicContact CB-CD1 3.78Å; E163-Y167 WeakPolarHBondContact O-CB 3.49Å; E163-Y167 PolarHBondContact O-N 3.13Å; D164-Y167 PolarHBondContact O-N 2.85Å; M165-Y167 VanDerWaalsContact C-N 3.32Å; M165-Y167 PolarHBondContact O-N 3.43Å; Y167-I169 PolarHBondContact O-N 2.85Å; Y167-R170 PolarHBondContact O-N 2.74Å; Y167-R170 VanDerWaalsContact O-N 3.13Å; Y167-R171 HydrophobicContact CD1-CB 4.03Å; Y167-R171 HydrophobicContact CE1-CB 3.72Å; Y167-R171 HydrophobicContact CE1-CG 3.79Å; Y167-R171 VanDerWaalsContact O-CB 3.3Å; Y167-R171 WeakPolarHBondContact O-CB 3.23Å; Y167-R171 PolarHBondContact O-N 3.12Å
168A90.5Very high88Confident0 Ų071.2 Ų71.20%031%0.307CS..Hα-helixtrans-57.2-48.4176.100000111.9M138 A141 F159 D164 M165 R170 R171 L172 D173 V189M138-A168 HydrophobicContact CE-CB 4.07Å; A141-A168 HydrophobicContact CB-CB 3.5Å; A141-A168 VanDerWaalsContact CB-CB 3.5Å; F159-A168 HydrophobicContact CE1-CB 4.26Å; F159-A168 HydrophobicContact CE2-CB 3.48Å; F159-A168 VanDerWaalsContact CE2-CB 3.48Å; F159-A168 HydrophobicContact CZ-CB 3.3Å; D164-A168 WeakPolarHBondContact O-CB 3.5Å; D164-A168 PolarHBondContact O-N 3.43Å; M165-A168 WeakPolarHBondContact O-CB 3.49Å; M165-A168 PolarHBondContact O-N 3.3Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 PolarHBondContact O-N 3.18Å; A168-R171 PolarHBondContact O-N 3.37Å; A168-L172 HydrophobicContact CB-CD1 4.17Å; A168-L172 WeakPolarHBondContact O-CA 3.37Å; A168-L172 VanDerWaalsContact O-CB 3.27Å; A168-L172 WeakPolarHBondContact O-CB 3.45Å; A168-L172 PolarHBondContact O-N 2.99Å; A168-D173 PolarHBondContact O-N 3.24Å; A168-V189 HydrophobicContact CB-CG1 4.42Å
169I89.6Confident87.8Confident42 Ų4270.4 Ų70.422%0.21530%0.304CS..Hα-helixtrans-61.9-36178.4-64.9159.6000111.6V120 M165 Y167 D173 V189 E191V120-I169 HydrophobicContact CG1-CD1 3.95Å; V120-I169 HydrophobicContact CG1-CG1 3.83Å; M165-I169 HydrophobicContact CE-CD1 4.21Å; M165-I169 HydrophobicContact CG-CD1 4.19Å; M165-I169 WeakPolarHBondContact O-CD1 3.4Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 3.35Å; Y167-I169 PolarHBondContact O-N 2.85Å; I169-D173 VanDerWaalsContact O-CB 3.23Å; I169-D173 WeakPolarHBondContact O-CB 3.45Å; I169-V189 HydrophobicContact CG1-CG1 4.09Å; I169-E191 HydrophobicContact CD1-CB 3.78Å; I169-E191 HydrophobicContact CD1-CG 4.49Å
170R88.1Confident87.5Confident198 Ų19876.1 Ų76.175%0.74733%0.33SS*.Hα-helixtrans-82.8-32.6-177.1-73.6178-178.9172.8-1.5113.9K166 Y167 A168K166-R170 WeakPolarHBondContact O-CG 3.3Å; K166-R170 PolarHBondContact O-N 2.82Å; K166-R170 VanDerWaalsContact O-N 3.16Å; Y167-R170 PolarHBondContact O-N 2.74Å; Y167-R170 VanDerWaalsContact O-N 3.13Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 PolarHBondContact O-N 3.18Å
171R87.8Confident87.3Confident168 Ų16877.8 Ų77.863%0.63434%0.335SS*.Hα-helixtrans-110.7-33.7-168.5-167.460.8170.8167.70.8113.4Y167 A168Y167-R171 HydrophobicContact CD1-CB 4.03Å; Y167-R171 HydrophobicContact CE1-CB 3.72Å; Y167-R171 HydrophobicContact CE1-CG 3.79Å; Y167-R171 VanDerWaalsContact O-CB 3.3Å; Y167-R171 WeakPolarHBondContact O-CB 3.23Å; Y167-R171 PolarHBondContact O-N 3.12Å; A168-R171 PolarHBondContact O-N 3.37Å
172L87.5Confident87.2Confident2 Ų277.3 Ų77.31%0.0135%0.346CS..THydrogen-bonded Turntrans-95.4-8.1-179.8-60.2177.1000112.9M138 E140 A141 A168 D174 S175 V189M138-L172 HydrophobicContact CE-CD1 4.5Å; M138-L172 HydrophobicContact SD-CB 4.27Å; M138-L172 HydrophobicContact SD-CD1 3.52Å; M138-L172 VanDerWaalsContact SD-CD1 3.52Å; E140-L172 HydrophobicContact CB-CD2 4.18Å; E140-L172 HydrophobicContact CG-CD2 4.37Å; A141-L172 HydrophobicContact CB-CD1 3.42Å; A141-L172 VanDerWaalsContact CB-CD1 3.42Å; A141-L172 HydrophobicContact CB-CG 4.18Å; A168-L172 HydrophobicContact CB-CD1 4.17Å; A168-L172 WeakPolarHBondContact O-CA 3.37Å; A168-L172 VanDerWaalsContact O-CB 3.27Å; A168-L172 WeakPolarHBondContact O-CB 3.45Å; A168-L172 PolarHBondContact O-N 2.99Å; L172-D174 PolarHBondContact O-N 2.95Å; L172-S175 VanDerWaalsContact O-CB 3.31Å; L172-S175 WeakPolarHBondContact O-CB 3.46Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 PolarHBondContact O-OG 3.21Å; L172-V189 HydrophobicContact CB-CG2 4.11Å
173D88.8Confident87.2Confident56 Ų5676.7 Ų76.730%0.29935%0.347SS..THydrogen-bonded Turntrans-63.5131.8165.6-170.164000110.2A168 I169 S175 R188 V189A168-D173 PolarHBondContact O-N 3.24Å; I169-D173 VanDerWaalsContact O-CB 3.23Å; I169-D173 WeakPolarHBondContact O-CB 3.45Å; D173-S175 PolarHBondContact O-N 3.49Å; D173-R188 WeakPolarHBondContact OD1-CA 3.47Å; D173-R188 WeakPolarHBondContact OD1-CD 3.45Å; D173-R188 IonicContact OD2-NH1 3.48Å; D173-R188 PolarHBondContact OD2-NH1 3.4Å; D173-V189 PolarHBondContact OD1-N 3.12Å
174D89.3Confident87.3Confident75 Ų7572.9 Ų72.940%0.40134%0.335SS..THydrogen-bonded Turntrans63.919.9-173.6-131.94000115.2L172 Y186 I187 R188L172-D174 PolarHBondContact O-N 2.95Å; D174-Y186 WeakPolarHBondContact O-CD1 3.31Å; D174-I187 WeakPolarHBondContact CA-O 3.37Å; D174-I187 PolarHBondContact N-O 3.31Å; D174-R188 IonicContact OD1-CZ 3.63Å; D174-R188 IonicContact OD1-NE 2.94Å; D174-R188 IonicContact OD1-NH1 2.77Å; D174-R188 PolarHBondContact OD1-NH1 2.82Å; D174-R188 IonicContact OD1-NH2 3.17Å; D174-R188 PolarHBondContact OD1-NH2 3.32Å; D174-R188 IonicContact OD2-CZ 3.27Å; D174-R188 IonicContact OD2-NH1 3.05Å; D174-R188 PolarHBondContact OD2-NH1 2.85Å; D174-R188 IonicContact OD2-NH2 3.89Å; D174-R188 PolarHBondContact OD2-NH2 2.62Å
175S90.1Very high87.2Confident20 Ų2073.9 Ų73.914%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-76.5148.6174.363.80000111.6H137 L172 D173 F177 Y186 I187H137-S175 PolarHBondContact NE2-OG 2.87Å; L172-S175 VanDerWaalsContact O-CB 3.31Å; L172-S175 WeakPolarHBondContact O-CB 3.46Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 PolarHBondContact O-OG 3.21Å; D173-S175 PolarHBondContact O-N 3.49Å; S175-F177 PolarHBondContact O-N 3.04Å; S175-Y186 WeakPolarHBondContact O-CA 3.43Å; S175-I187 WeakPolarHBondContact O-CG1 3.29Å; S175-I187 PolarHBondContact O-N 3.05Å; S175-I187 WeakPolarHBondContact OG-CG1 3.47Å
176K89.9Confident87.4Confident128 Ų12880.8 Ų80.856%0.55737%0.371SS*.EExtended strand (participates in β ladder)trans-78.1106.6176.6-174.8177.4-178.1175.70109.3H137 S184 Y186H137-K176 PolarHBondContact CE1-O 2.93Å; K176-S184 WeakPolarHBondContact CE-OG 3.09Å; K176-Y186 HydrophobicContact CB-CD1 4.47Å; K176-Y186 HydrophobicContact CB-CE1 4.2Å
177F88.7Confident87.5Confident1 Ų176.8 Ų76.80%0.00435%0.354CS..EExtended strand (participates in β ladder)trans-83.4141.9172.1178.8-95.2000110.6L125 P126 D133 L134 H137 S175 S184 S185 I187L125-F177 HydrophobicContact CD2-CD1 4.06Å; L125-F177 HydrophobicContact CD2-CD2 4.12Å; L125-F177 HydrophobicContact CD2-CE1 4Å; L125-F177 HydrophobicContact CD2-CE2 4.09Å; L125-F177 HydrophobicContact CD2-CG 4.07Å; L125-F177 HydrophobicContact CD2-CZ 3.98Å; P126-F177 VanDerWaalsContact CD-CE1 3.43Å; P126-F177 HydrophobicContact CG-CD1 3.54Å; P126-F177 HydrophobicContact CG-CE1 3.5Å; D133-F177 HydrophobicContact CB-CE1 4.43Å; D133-F177 HydrophobicContact CB-CE2 3.91Å; D133-F177 HydrophobicContact CB-CZ 3.45Å; D133-F177 VanDerWaalsContact CB-CZ 3.45Å; L134-F177 HydrophobicContact CB-CE2 4.34Å; H137-F177 HydrophobicContact CB-CD2 3.96Å; H137-F177 HydrophobicContact CB-CE2 4.15Å; H137-F177 AromaticContact CG-CD2 3.93Å; S175-F177 PolarHBondContact O-N 3.04Å; F177-S184 CarbonylContact O-C 3.42Å; F177-S184 WeakPolarHBondContact O-CA 3.21Å; F177-S184 VanDerWaalsContact O-CB 3.3Å; F177-S184 WeakPolarHBondContact O-CB 3.48Å; F177-S185 WeakPolarHBondContact CA-O 3.34Å; F177-S185 WeakPolarHBondContact CB-O 3.2Å; F177-S185 PolarHBondContact N-O 3.41Å; F177-S185 PolarHBondContact O-N 3.1Å; F177-I187 HydrophobicContact CB-CB 4.4Å; F177-I187 HydrophobicContact CB-CD1 4.48Å; F177-I187 HydrophobicContact CB-CG1 4.22Å; F177-I187 HydrophobicContact CB-CG2 3.43Å; F177-I187 VanDerWaalsContact CB-CG2 3.43Å; F177-I187 HydrophobicContact CD2-CG2 4.46Å; F177-I187 HydrophobicContact CG-CG2 3.93Å
178R87.4Confident87.6Confident179 Ų17976 Ų7668%0.67535%0.35SS*.EExtended strand (participates in β ladder)trans-127.2124.2175.9-172.9178.9-176.9173.30.8109.3
179S85.2Confident87.7Confident5 Ų576.1 Ų76.14%0.03535%0.35CS..  trans-76.9160.7171.564.80000111.4T128 E181 G182 E183T128-S179 WeakPolarHBondContact OG1-CB 3.47Å; T128-S179 PolarHBondContact OG1-OG 3Å; S179-E181 PolarHBondContact O-N 2.78Å; S179-G182 PolarHBondContact O-N 2.82Å; S179-E183 PolarHBondContact N-O 3.46Å; S179-E183 WeakPolarHBondContact OG-CB 3.48Å; S179-E183 PolarHBondContact OG-N 3.27Å; S179-E183 VanDerWaalsContact OG-N 3.1Å; S179-E183 PolarHBondContact OG-O 3.12Å
180H82.6Confident87.5Confident120 Ų12082.8 Ų82.856%0.55637%0.373SS*.THydrogen-bonded Turntrans-58.5-28.9171.367.1-76.9000113.6T128 D133 G182T128-H180 PolarHBondContact O-CE1 2.86Å; D133-H180 IonicContact OD2-CG 3.95Å; D133-H180 PolarHBondContact OD2-N 2.67Å; D133-H180 IonicContact OD2-ND1 3.47Å; D133-H180 PolarHBondContact OD2-ND1 3.2Å; H180-G182 PolarHBondContact O-N 3.44Å
181E78.9Confident87.5Confident130 Ų13078 Ų7861%0.60736%0.359SS*.THydrogen-bonded Turntrans-75.7-1.8176.1-66.5-65.1118.900113.1T128 S179 E183T128-E181 HydrophobicContact CG2-CB 4.21Å; T128-E181 HydrophobicContact CG2-CG 4.16Å; S179-E181 PolarHBondContact O-N 2.78Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.89Å
182G80.5Confident86.8Confident40 Ų4072.9 Ų72.941%0.41234%0.342SS..SBendtrans85.7-1.7178.100000114.5S179 H180S179-G182 PolarHBondContact O-N 2.82Å; H180-G182 PolarHBondContact O-N 3.44Å
183E83.3Confident85.3Confident85 Ų8583.1 Ų83.140%0.39738%0.381SS..  trans-70135.8169.3-62.4-176.516500110.2P126 T128 S179 E181P126-E183 HydrophobicContact CB-CB 4.19Å; T128-E183 WeakPolarHBondContact CB-OE2 3.29Å; T128-E183 HydrophobicContact CG2-CG 4.49Å; T128-E183 VanDerWaalsContact CG2-OE2 3.24Å; T128-E183 WeakPolarHBondContact CG2-OE2 3.3Å; T128-E183 PolarHBondContact OG1-OE2 3.44Å; S179-E183 PolarHBondContact N-O 3.46Å; S179-E183 WeakPolarHBondContact OG-CB 3.48Å; S179-E183 PolarHBondContact OG-N 3.27Å; S179-E183 VanDerWaalsContact OG-N 3.1Å; S179-E183 PolarHBondContact OG-O 3.12Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.89Å
184S87.8Confident83.4Confident55 Ų5585.2 Ų85.239%0.38541%0.406SS..EExtended strand (participates in β ladder)trans-122140.3175.465.20000111.6K176 F177K176-S184 WeakPolarHBondContact CE-OG 3.09Å; F177-S184 CarbonylContact O-C 3.42Å; F177-S184 WeakPolarHBondContact O-CA 3.21Å; F177-S184 VanDerWaalsContact O-CB 3.3Å; F177-S184 WeakPolarHBondContact O-CB 3.48Å
185S88.6Confident80.9Confident45 Ų4585.6 Ų85.632%0.31543%0.427SS..EExtended strand (participates in β ladder)trans-143.8160.7176.1-77.20000110.2G124 F177G124-S185 WeakPolarHBondContact O-CB 3.32Å; F177-S185 WeakPolarHBondContact CA-O 3.34Å; F177-S185 WeakPolarHBondContact CB-O 3.2Å; F177-S185 PolarHBondContact N-O 3.41Å; F177-S185 PolarHBondContact O-N 3.1Å
186Y91Very high78.4Confident148 Ų14887.3 Ų87.358%0.5845%0.448SS*.EExtended strand (participates in β ladder)trans-88.5122.2175.9-68.4-86000109.4D174 S175 K176D174-Y186 WeakPolarHBondContact O-CD1 3.31Å; S175-Y186 WeakPolarHBondContact O-CA 3.43Å; K176-Y186 HydrophobicContact CB-CD1 4.47Å; K176-Y186 HydrophobicContact CB-CE1 4.2Å
187I92.4Very high75.9Confident0 Ų086.6 Ų86.60%046%0.46CS..EExtended strand (participates in β ladder)trans-94147.9179.558.8163.2000111V122 T123 L125 D174 S175 F177 V189V122-I187 HydrophobicContact CG1-CB 3.82Å; V122-I187 HydrophobicContact CG1-CD1 3.96Å; V122-I187 HydrophobicContact CG1-CG1 4.46Å; V122-I187 HydrophobicContact CG1-CG2 4.11Å; T123-I187 CarbonylContact O-C 3.48Å; T123-I187 VanDerWaalsContact O-CA 3.29Å; T123-I187 WeakPolarHBondContact O-CA 3.49Å; L125-I187 HydrophobicContact CD2-CG2 3.51Å; L125-I187 HydrophobicContact CG-CG2 4.11Å; D174-I187 WeakPolarHBondContact CA-O 3.37Å; D174-I187 PolarHBondContact N-O 3.31Å; S175-I187 WeakPolarHBondContact O-CG1 3.29Å; S175-I187 PolarHBondContact O-N 3.05Å; S175-I187 WeakPolarHBondContact OG-CG1 3.47Å; F177-I187 HydrophobicContact CB-CB 4.4Å; F177-I187 HydrophobicContact CB-CD1 4.48Å; F177-I187 HydrophobicContact CB-CG1 4.22Å; F177-I187 HydrophobicContact CB-CG2 3.43Å; F177-I187 VanDerWaalsContact CB-CG2 3.43Å; F177-I187 HydrophobicContact CD2-CG2 4.46Å; F177-I187 HydrophobicContact CG-CG2 3.93Å; I187-V189 HydrophobicContact CD1-CG2 4.24Å
188R91.9Very high73.6Confident99 Ų9997.5 Ų97.537%0.37450%0.501SS..EExtended strand (participates in β ladder)trans-111.2130172.1-63.7-65.6-174.4-177.6-12.1109.2V122 T123 D173 D174V122-R188 CarbonylContact C-O 3.56Å; V122-R188 VanDerWaalsContact CA-O 3.22Å; V122-R188 WeakPolarHBondContact CA-O 3.45Å; T123-R188 PolarHBondContact N-O 2.84Å; T123-R188 PolarHBondContact O-N 2.89Å; D173-R188 WeakPolarHBondContact OD1-CA 3.47Å; D173-R188 WeakPolarHBondContact OD1-CD 3.45Å; D173-R188 IonicContact OD2-NH1 3.48Å; D173-R188 PolarHBondContact OD2-NH1 3.4Å; D174-R188 IonicContact OD1-CZ 3.63Å; D174-R188 IonicContact OD1-NE 2.94Å; D174-R188 IonicContact OD1-NH1 2.77Å; D174-R188 PolarHBondContact OD1-NH1 2.82Å; D174-R188 IonicContact OD1-NH2 3.17Å; D174-R188 PolarHBondContact OD1-NH2 3.32Å; D174-R188 IonicContact OD2-CZ 3.27Å; D174-R188 IonicContact OD2-NH1 3.05Å; D174-R188 PolarHBondContact OD2-NH1 2.85Å; D174-R188 IonicContact OD2-NH2 3.89Å; D174-R188 PolarHBondContact OD2-NH2 2.62Å
189V92.1Very high71.1Confident2 Ų293.3 Ų93.31%0.01250%0.499CS..EExtended strand (participates in β ladder)trans-113.5116.8-178-176.10000108.4V120 V122 M138 A168 I169 L172 D173 I187V120-V189 HydrophobicContact CB-CG1 3.86Å; V120-V189 HydrophobicContact CG1-CG1 4.18Å; V120-V189 HydrophobicContact CG2-CG1 3.82Å; V122-V189 HydrophobicContact CG2-CG2 4.27Å; M138-V189 HydrophobicContact CE-CG1 3.9Å; M138-V189 HydrophobicContact CE-CG2 4.16Å; M138-V189 HydrophobicContact SD-CG2 4.12Å; A168-V189 HydrophobicContact CB-CG1 4.42Å; I169-V189 HydrophobicContact CG1-CG1 4.09Å; L172-V189 HydrophobicContact CB-CG2 4.11Å; D173-V189 PolarHBondContact OD1-N 3.12Å; I187-V189 HydrophobicContact CD1-CG2 4.24Å
190R86.1Confident68.8Low182 Ų182102.1 Ų102.169%0.68753%0.531SS*.EExtended strand (participates in β ladder)trans-126.1143.1-179.7-69-164.3160-166-4.5111.3V120 I121 E192V120-R190 CarbonylContact C-O 3.5Å; V120-R190 VanDerWaalsContact CA-O 3.23Å; V120-R190 WeakPolarHBondContact CA-O 3.39Å; V120-R190 WeakPolarHBondContact CB-O 3.46Å; I121-R190 PolarHBondContact N-O 2.82Å; I121-R190 PolarHBondContact O-N 3.19Å; R190-E192 PolarHBondContact O-N 3Å
191E87.3Confident66.5Low99 Ų99101 Ų10146%0.46354%0.537SS..EExtended strand (participates in β ladder)trans-57.9130.1170.1-171.3179.1169.500109.7M165 I169 R193M165-E191 HydrophobicContact CE-CG 4.29Å; I169-E191 HydrophobicContact CD1-CB 3.78Å; I169-E191 HydrophobicContact CD1-CG 4.49Å; E191-R193 PolarHBondContact O-N 3.25Å
192E74.2Confident64.6Low60 Ų60106 Ų10628%0.2855%0.551SS.*  trans-70.989.9165.9-170.9159.4152.200107.1R119 I121 R190 A194R119-E192 HydrophobicContact CB-CB 4.35Å; R119-E192 VanDerWaalsContact CD-OE2 3.3Å; R119-E192 WeakPolarHBondContact CD-OE2 3.3Å; R119-E192 HydrophobicContact CG-CB 4.32Å; R119-E192 WeakPolarHBondContact CG-OE2 3.49Å; R119-E192 IonicContact CZ-OE1 2.74Å; R119-E192 IonicContact CZ-OE2 3.17Å; R119-E192 IonicContact NE-OE1 3.5Å; R119-E192 IonicContact NE-OE2 2.99Å; R119-E192 PolarHBondContact NE-OE2 2.91Å; R119-E192 VanDerWaalsContact NH1-CD 3.31Å; R119-E192 IonicContact NH1-OE1 3.13Å; R119-E192 PolarHBondContact NH1-OE1 3.49Å; R119-E192 IonicContact NH1-OE2 2.65Å; R119-E192 PolarHBondContact NH1-OE2 3.22Å; R119-E192 VanDerWaalsContact NH1-OE2 3.17Å; R119-E192 IonicContact NH2-OE1 3.21Å; R119-E192 PolarHBondContact NH2-OE1 2.91Å; R119-E192 IonicContact NH2-OE2 2.75Å; R119-E192 PolarHBondContact NH2-OE2 3.17Å; R119-E192 WeakPolarHBondContact O-CB 3.24Å; R119-E192 PolarHBondContact O-N 2.95Å; I121-E192 HydrophobicContact CD1-CB 4.08Å; I121-E192 HydrophobicContact CD1-CG 3.86Å; I121-E192 HydrophobicContact CG1-CB 4.03Å; I121-E192 HydrophobicContact CG1-CG 4.2Å; I121-E192 WeakPolarHBondContact CG1-OE2 3.12Å; R190-E192 PolarHBondContact O-N 3Å; E192-A194 PolarHBondContact O-N 2.78Å
193R55.7Low62.4Low216 Ų216109.2 Ų109.282%0.81557%0.567SS**  trans-53.7115.3172.8-71.1-174.9177.9-133.1-1.5106.6E191 G195E191-R193 PolarHBondContact O-N 3.25Å; R193-G195 PolarHBondContact O-N 3.36Å
194A47.6Very low60Low101 Ų101116.2 Ų116.284%0.83559%0.591SS**  trans-65.860.617600000111E192 G196E192-A194 PolarHBondContact O-N 2.78Å; A194-G196 PolarHBondContact O-N 2.89Å
195G37.3Very low57.6Low82 Ų82116.6 Ų116.685%0.84560%0.603SS**  trans-84.473.5163.100000107.5R193R193-G195 PolarHBondContact O-N 3.36Å
196G37.4Very low55.3Low56 Ų56120.1 Ų120.158%0.57763%0.628SS**  trans168.765.3-176.200000113A194 R198A194-G196 PolarHBondContact O-N 2.89Å; G196-R198 PolarHBondContact O-N 3.48Å
197S37.8Very low52.9Low114 Ų114118.6 Ų118.680%0.79764%0.636SS**  trans-49.477.1139.5-560000108.6S199S197-S199 PolarHBondContact O-N 2.77Å; S197-S199 PolarHBondContact O-OG 2.94Å
198R40.1Very low50.2Low229 Ų229130.2 Ų130.286%0.86468%0.68SS**  trans-73.978.3153-96.8176.7175.7160.4-1.4104.3G196 R200G196-R198 PolarHBondContact O-N 3.48Å; R198-R200 PolarHBondContact O-N 3.27Å
199S35.1Very low47.8Very low91 Ų91137.1 Ų137.164%0.63671%0.706SS**  trans-39.883.9140.7-45.70000106.5S197 S201S197-S199 PolarHBondContact O-N 2.77Å; S197-S199 PolarHBondContact O-OG 2.94Å; S199-S201 PolarHBondContact O-N 3.48Å; S199-S201 PolarHBondContact O-OG 3.28Å
200R37.7Very low45Very low190 Ų190140 Ų14072%0.71774%0.736SS**  trans-72.481.8155.7-84.6-178.5172.9162.6-3.7103.3R198 R202R198-R200 PolarHBondContact O-N 3.27Å; R200-R202 PolarHBondContact O-N 3.1Å
201S33.7Very low42.8Very low98 Ų98143.4 Ų143.469%0.68575%0.748SS**  trans-45.790.7156.7-42.70000105.5S199 S203S199-S201 PolarHBondContact O-N 3.48Å; S199-S201 PolarHBondContact O-OG 3.28Å; S201-S203 PolarHBondContact O-N 3.02Å
202R38.2Very low40.3Very low235 Ų235143.7 Ų143.789%0.88776%0.762SS**  trans-72.690.9165.8-77.5-175.9176.2176.6-0.5103.6R200 Y204R200-R202 PolarHBondContact O-N 3.1Å; R202-Y204 PolarHBondContact O-N 3.18Å
203S35.6Very low38.6Very low107 Ų107150.8 Ų150.875%0.74879%0.787SS**  trans-43.6109.3171.7-39.80000107.9S201 G205S201-S203 PolarHBondContact O-N 3.02Å; S203-G205 PolarHBondContact O-N 2.94Å
204Y31.7Very low37.6Very low232 Ų232147.5 Ų147.591%0.9179%0.786SS**  trans-67.3103.5163.388-75.7000104.9R202R202-Y204 PolarHBondContact O-N 3.18Å
205G37.6Very low37.2Very low62 Ų62147.2 Ų147.264%0.63978%0.778SS**  trans-14186.5-166.100000111.4S203S203-G205 PolarHBondContact O-N 2.94Å
206S41.1Very low36.9Very low119 Ų119149.3 Ų149.383%0.83278%0.778SS**  trans75.3110.1159.2-65.50000119.1
207P40.4Very low36.8Very low116 Ų116150.4 Ų150.475%0.75378%0.777SS**  trans-85.8146165.834.3-28.4000110.3
208R34.9Very low36.7Very low244 Ų244156.4 Ų156.492%0.92178%0.782SS**  trans179.4147.4147.5-99.6151.6-161.5-1327.5114.6
209R42.8Very low36.6Very low245 Ų245150.6 Ų150.693%0.92578%0.777SS**  trans81106.2168.7-61-179.3179.1-152.5-0.8114.3
210G32Very low37.3Very low61 Ų61153.9 Ų153.963%0.62979%0.785SS**  cis100.795.327.200000109.7
211R40.7Very low37.9Very low254 Ų254150 Ų15096%0.95879%0.787SS**  trans-144.8121158.5-80.5-164.4-177.2-158.30.2109.6
212S33.8Very low38.5Very low106 Ų106151.4 Ų151.474%0.74179%0.794SS**  trans-68144.8177.8-162.40000110.7
213Y39.1Very low38.7Very low208 Ų208152 Ų15282%0.81680%0.796SS**  trans-112.7110.2154.863.6-88.4000107.2
214D35.6Very low39.2Very low148 Ų148162.1 Ų162.179%0.79182%0.818SS**  trans-72.3124.8165.1-84.9-97.2000108.8
215S38.6Very low39.5Very low94 Ų94158.6 Ų158.666%0.65781%0.814SS**  trans-171.2124148.646.20000112
216C31.2Very low39.6Very low127 Ų127163.7 Ų163.786%0.85882%0.823SS**  trans69.4143.6152.9-970000118
217S34.7Very low39.6Very low79 Ų79166.2 Ų166.255%0.55282%0.822SS**  cis163.3137.7-10.546.30000104.9
218R36.8Very low39.5Very low239 Ų239169.1 Ų169.190%0.90283%0.826SS**  trans64.1136.7157.9-59164.6178.7-157.8-1.9113.7
219S37.8Very low39.8Very low107 Ų107164.4 Ų164.475%0.74882%0.82SS**  cis-178.714420.728.30000101.9
220I48.5Very low39.6Very low160 Ų160159.1 Ų159.182%0.82181%0.813SS**  172.3139.575.3-152.1153.1000105.4
221S50.1Low40.1Very low108 Ų108166.1 Ų166.176%0.75583%0.827SS**  trans-75.3161.9171.1-47.30000110.4
222P46.5Very low40.1Very low128 Ų128159.3 Ų159.383%0.83182%0.816SS**  -146.5163.298.231.7-12.2000116.3
223R43.9Very low40.6Very low247 Ų247163.8 Ų163.893%0.93282%0.823SS**  trans-62.5152.1178.6-65167.8159.8-133.5-2.3114.1
224R44.6Very low40.8Very low320 Ų320159.7 Ų159.7100%1.20882%0.823SS**  -153.70122.8-144.7172.9-170.3-1133110.4

Retrieved 224 of 224 residues in 73.7 ms (Link to these results)

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