A0A3Q2UC61_FUNHE Loading...

Actin related protein 1B

AlphaFold DB , UniProt , Accession A0A3Q2UC61, Species FUNHE (Fundulus heteroclitus, Killifish), Gene n/a, Length 376 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
1M39.4Very low60.1Low245 Ų245115.8 Ų115.8100%1.20759%0.594SS**  0106.30-82.6174.3172.200106.2S3M1-S3 PolarHBondContact O-N 2.7Å
2E37.6Very low63.2Low148 Ų148106.2 Ų106.269%0.69255%0.545SS*.  trans-58.2125.2-174.9-70.4172151.700109.9Y4E2-Y4 VanDerWaalsContact C-N 3.3Å; E2-Y4 HydrophobicContact CB-CE2 4.3Å; E2-Y4 WeakPolarHBondContact O-CD2 3.43Å; E2-Y4 PolarHBondContact O-N 3.46Å; E2-Y4 PolarHBondContact OE2-OH 3.07Å; E2-Y4 VanDerWaalsContact OE2-OH 3.07Å
3S43Very low65.8Low107 Ų10798 Ų9875%0.74850%0.503SS*.  trans-69.193.2166.951.40000107.1M1 D5M1-S3 PolarHBondContact O-N 2.7Å; S3-D5 PolarHBondContact O-N 2.96Å; S3-D5 VanDerWaalsContact O-N 3.07Å
4Y49.3Very low68.1Low179 Ų17991 Ų9170%0.70247%0.467SS*.  trans-60.9114171.5-68.7-76.3000107.9E2 I6E2-Y4 VanDerWaalsContact C-N 3.3Å; E2-Y4 HydrophobicContact CB-CE2 4.3Å; E2-Y4 WeakPolarHBondContact O-CD2 3.43Å; E2-Y4 PolarHBondContact O-N 3.46Å; E2-Y4 PolarHBondContact OE2-OH 3.07Å; E2-Y4 VanDerWaalsContact OE2-OH 3.07Å; Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 3.38Å
5D49.3Very low70Confident134 Ų13485.1 Ų85.172%0.71744%0.437SS*.  trans-61.195.1176.2-85.8-41.7000108.8S3 L7S3-D5 PolarHBondContact O-N 2.96Å; S3-D5 VanDerWaalsContact O-N 3.07Å; D5-L7 PolarHBondContact O-N 2.98Å; D5-L7 VanDerWaalsContact O-N 3.08Å
6I54.7Low71.6Confident69 Ų6980.4 Ų80.435%0.35441%0.413SS..  trans-59.5111.3151.8-57.8172.8000103.8Y4 A8Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 3.38Å; I6-A8 HydrophobicContact CG2-CB 4.13Å; I6-A8 PolarHBondContact O-N 3.15Å
7L53Low72.8Confident172 Ų17276.4 Ų76.490%0.90140%0.396SS*.  trans-60.580.5163.2-90.6153.3000106.8D5D5-L7 PolarHBondContact O-N 2.98Å; D5-L7 VanDerWaalsContact O-N 3.08Å
8A62.4Low73.9Confident31 Ų3172.6 Ų72.626%0.25638%0.377SS..  trans-87.9114.2-174.900000107.5I6 P107 W357I6-A8 HydrophobicContact CG2-CB 4.13Å; I6-A8 PolarHBondContact O-N 3.15Å; A8-P107 HydrophobicContact CB-CG 3.84Å; A8-W357 HydrophobicContact CB-CH2 3.66Å; A8-W357 HydrophobicContact CB-CZ2 4.12Å
9N85.6Confident74.8Confident76 Ų7669.2 Ų69.241%0.40636%0.362SS..PPolyproline II helixtrans-60.2166.7166.9-67.5-29.6000110P11 E105 P107N9-P11 WeakPolarHBondContact O-CD 3.48Å; N9-E105 WeakPolarHBondContact CB-O 3.25Å; N9-E105 PolarHBondContact ND2-O 2.68Å; N9-E105 VanDerWaalsContact ND2-O 3.15Å; N9-P107 VanDerWaalsContact O-CD 3.26Å; N9-P107 WeakPolarHBondContact O-CD 3.31Å
10Q92.1Very high75.8Confident98 Ų9868.2 Ų68.246%0.45836%0.359SS..PPolyproline II helixtrans-50.6122.2179-171.417616.300111F25 A26 H106Q10-F25 HydrophobicContact CG-CB 4.14Å; Q10-F25 HydrophobicContact CG-CD1 4.41Å; Q10-A26 PolarHBondContact NE2-O 3.21Å; Q10-H106 PolarHBondContact O-ND1 3.01Å
11P94.9Very high76.8Confident15 Ų1565 Ų6510%0.09734%0.341CS..PPolyproline II helixtrans-63.6148.9-177.5-24.634000113.4N9 A26 P107 A348 F353 W357N9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.46Å; P11-A26 PolarHBondContact O-N 2.86Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.25Å; P11-P107 HydrophobicContact CB-CB 4.19Å; P11-P107 HydrophobicContact CG-CB 4.29Å; P11-P107 HydrophobicContact CG-CG 4.36Å; P11-A348 HydrophobicContact CB-CB 4.2Å; P11-F353 HydrophobicContact CB-CE1 4.05Å; P11-F353 HydrophobicContact CG-CD1 4.18Å; P11-F353 HydrophobicContact CG-CE1 3.97Å; P11-W357 HydrophobicContact CG-CZ3 4.39Å
12V96.7Very high79.5Confident0 Ų054.1 Ų54.10%029%0.288CS..EExtended strand (participates in β ladder)trans-94.7133.9171.2177.60000109.2I14 F25 Y94 L99 H106 P107 V108 L109V12-I14 HydrophobicContact CG1-CD1 4.34Å; V12-I14 HydrophobicContact CG1-CG1 3.92Å; V12-F25 HydrophobicContact CG2-CD1 3.98Å; V12-F25 HydrophobicContact CG2-CE1 3.76Å; V12-Y94 HydrophobicContact CG1-CE1 4.34Å; V12-Y94 HydrophobicContact CG2-CE1 4.22Å; V12-L99 HydrophobicContact CG1-CD1 3.66Å; V12-H106 HydrophobicContact CG2-CB 3.83Å; V12-P107 PolarHBondContact N-O 2.84Å; V12-V108 CarbonylContact O-C 3.32Å; V12-V108 WeakPolarHBondContact O-CA 3.03Å; V12-L109 PolarHBondContact O-N 2.82Å
13V97.8Very high82.3Confident0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-109.2117.3178.2-179.10000109.1A23 G24 A26 L109 W341 A348V13-A23 WeakPolarHBondContact O-CA 3.23Å; V13-G24 PolarHBondContact N-O 3.13Å; V13-G24 PolarHBondContact O-N 3.19Å; V13-A26 HydrophobicContact CG2-CB 4.27Å; V13-L109 HydrophobicContact CG1-CD2 4.01Å; V13-L109 HydrophobicContact CG2-CB 4.22Å; V13-W341 HydrophobicContact CB-CZ2 4.26Å; V13-W341 HydrophobicContact CG1-CG 4.32Å; V13-W341 PolarHBondContact O-NE1 2.79Å; V13-A348 HydrophobicContact CG2-CB 4.01Å
14I97.5Very high84.8Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-116.4106.3179-54.1179.6000108.8V12 I21 V93 Y94 V108 L109 L110 T111 F128V12-I14 HydrophobicContact CG1-CD1 4.34Å; V12-I14 HydrophobicContact CG1-CG1 3.92Å; I14-I21 HydrophobicContact CG2-CD1 3.99Å; I14-I21 HydrophobicContact CG2-CG1 4.29Å; I14-V93 HydrophobicContact CD1-CG1 4.23Å; I14-V93 HydrophobicContact CG1-CG1 4.46Å; I14-Y94 HydrophobicContact CD1-CE2 3.97Å; I14-V108 HydrophobicContact CD1-CG1 4.09Å; I14-V108 HydrophobicContact CG1-CG1 4.38Å; I14-L109 PolarHBondContact N-O 3.24Å; I14-L110 HydrophobicContact CB-CD1 3.93Å; I14-L110 HydrophobicContact CG2-CD1 4.02Å; I14-T111 PolarHBondContact O-N 3.15Å; I14-T111 VanDerWaalsContact O-N 3.15Å; I14-F128 HydrophobicContact CD1-CE1 4.17Å; I14-F128 HydrophobicContact CD1-CZ 4.2Å
15D96.9Very high87.1Confident3 Ų334.6 Ų34.62%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-90.8105.7173.2175.739.3000110.8G17 K22 T111 W341D15-G17 PolarHBondContact O-N 3.36Å; D15-K22 HydrophobicContact CB-CB 4.21Å; D15-K22 PolarHBondContact N-O 3.2Å; D15-K22 PolarHBondContact O-N 3.07Å; D15-K22 VanDerWaalsContact O-N 3.13Å; D15-K22 WeakPolarHBondContact OD2-CD 3.38Å; D15-K22 IonicContact OD2-NZ 3.97Å; D15-K22 PolarHBondContact OD2-NZ 3.34Å; D15-T111 VanDerWaalsContact CA-OG1 3.26Å; D15-T111 WeakPolarHBondContact CA-OG1 3.44Å; D15-T111 HydrophobicContact CB-CG2 4.07Å; D15-T111 WeakPolarHBondContact OD1-CB 3.45Å; D15-T111 PolarHBondContact OD1-OG1 2.89Å; D15-W341 HydrophobicContact CB-CB 4.12Å; D15-W341 HydrophobicContact CB-CG 4.46Å
16N94.7Very high89.2Confident9 Ų928.4 Ų28.45%0.04816%0.158CC..  trans-80.593.9-179.8-66.3-47.9000110.9W90 L110 T111 Q142N16-W90 PolarHBondContact OD1-NE1 2.7Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.28Å; N16-L110 VanDerWaalsContact ND2-CG 3.28Å; N16-L110 WeakPolarHBondContact ND2-CG 3.42Å; N16-T111 PolarHBondContact N-OG1 2.81Å; N16-T111 PolarHBondContact ND2-O 3.34Å; N16-Q142 PolarHBondContact O-NE2 2.93Å
17G92.6Very high91.1Very high12 Ų1227.5 Ų27.512%0.12417%0.166CC..  trans-92.5146.5168.200000112.1D15 G19 V20 N37D15-G17 PolarHBondContact O-N 3.36Å; G17-G19 VanDerWaalsContact C-N 3.26Å; G17-G19 PolarHBondContact O-N 3.12Å; G17-V20 VanDerWaalsContact CA-O 3.27Å; G17-V20 WeakPolarHBondContact CA-O 3.39Å; G17-V20 PolarHBondContact N-O 3.17Å; G17-N37 WeakPolarHBondContact O-CB 3.22Å; G17-N37 PolarHBondContact O-ND2 3.3Å
18S92.5Very high93Very high8 Ų821.3 Ų21.36%0.05613%0.134CC..SBendtrans-64.3-30.4176.8-49.90000113.6M75 G78 R188S18-M75 VanDerWaalsContact CA-SD 3.54Å; S18-M75 PolarHBondContact OG-SD 3.25Å; S18-M75 VanDerWaalsContact OG-SD 3.37Å; S18-G78 WeakPolarHBondContact OG-CA 3.49Å; S18-G78 PolarHBondContact OG-N 2.7Å; S18-R188 PolarHBondContact O-NH2 3.4Å
19G91.9Very high94.4Very high9 Ų927.9 Ų27.99%0.09316%0.159CC..SBendtrans-102.2-41.317900000113.5G17 P36 N37 D162G17-G19 VanDerWaalsContact C-N 3.26Å; G17-G19 PolarHBondContact O-N 3.12Å; G19-P36 CarbonylContact O-C 3.27Å; G19-P36 WeakPolarHBondContact O-CA 3.42Å; G19-N37 PolarHBondContact O-N 3.05Å; G19-D162 WeakPolarHBondContact CA-OD2 3.45Å
20V94.3Very high94.7Very high49 Ų4928.1 Ų28.130%0.29716%0.16SC..EExtended strand (participates in β ladder)trans-134.8126.6-176.4179.30000109.1G17 K22 C34 F35G17-V20 VanDerWaalsContact CA-O 3.27Å; G17-V20 WeakPolarHBondContact CA-O 3.39Å; G17-V20 PolarHBondContact N-O 3.17Å; V20-K22 HydrophobicContact CG1-CG 4.38Å; V20-K22 PolarHBondContact O-NZ 3.28Å; V20-C34 HydrophobicContact CG1-CB 4.5Å; V20-F35 WeakPolarHBondContact CG1-O 3.47Å
21I95.8Very high94.9Very high0 Ų023.9 Ų23.90%014%0.14CC..EExtended strand (participates in β ladder)trans-92143.3170.9-169.1168.1000109.3I14 F35 N37 I89 V93I14-I21 HydrophobicContact CG2-CD1 3.99Å; I14-I21 HydrophobicContact CG2-CG1 4.29Å; I21-F35 HydrophobicContact CG2-CD1 4.02Å; I21-F35 HydrophobicContact CG2-CD2 3.66Å; I21-F35 HydrophobicContact CG2-CE1 3.69Å; I21-F35 HydrophobicContact CG2-CE2 3.3Å; I21-F35 HydrophobicContact CG2-CG 4Å; I21-F35 HydrophobicContact CG2-CZ 3.31Å; I21-F35 WeakPolarHBondContact CG2-O 3.25Å; I21-F35 PolarHBondContact N-O 2.81Å; I21-F35 PolarHBondContact O-N 3.16Å; I21-N37 HydrophobicContact CB-CB 4.34Å; I21-I89 HydrophobicContact CD1-CG2 3.82Å; I21-I89 HydrophobicContact CG2-CG2 4.45Å; I21-V93 HydrophobicContact CD1-CG2 4.05Å
22K96.2Very high94.7Very high18 Ų1828.7 Ų28.78%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-129.6131.6-179.1-46.6163.2-162.4740108.7D15 V20 P31 Y33 L337 Y338 W341D15-K22 HydrophobicContact CB-CB 4.21Å; D15-K22 PolarHBondContact N-O 3.2Å; D15-K22 PolarHBondContact O-N 3.07Å; D15-K22 VanDerWaalsContact O-N 3.13Å; D15-K22 WeakPolarHBondContact OD2-CD 3.38Å; D15-K22 IonicContact OD2-NZ 3.97Å; D15-K22 PolarHBondContact OD2-NZ 3.34Å; V20-K22 HydrophobicContact CG1-CG 4.38Å; V20-K22 PolarHBondContact O-NZ 3.28Å; K22-P31 HydrophobicContact CB-CB 4.06Å; K22-P31 HydrophobicContact CB-CG 4.38Å; K22-Y33 CarbonylContact C-O 3.53Å; K22-Y33 WeakPolarHBondContact CA-O 3.36Å; K22-L337 WeakPolarHBondContact CE-O 3.03Å; K22-Y338 HydrophobicContact CD-CD1 4.03Å; K22-W341 HydrophobicContact CB-CB 4.37Å; K22-W341 HydrophobicContact CB-CG 4.23Å; K22-W341 HydrophobicContact CD-CB 4.28Å
23A96.6Very high94.6Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-139.1152.4-175.500000111.6V13 K32 Y33 V93V13-A23 WeakPolarHBondContact O-CA 3.23Å; A23-K32 PolarHBondContact O-N 2.72Å; A23-Y33 PolarHBondContact N-O 3.06Å; A23-Y33 PolarHBondContact O-N 3.09Å; A23-V93 HydrophobicContact CB-CG1 3.64Å
24G96.6Very high94.5Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans171.3-173.9175.500000111.2V13V13-G24 PolarHBondContact N-O 3.13Å; V13-G24 PolarHBondContact O-N 3.19Å
25F96.3Very high94.3Very high23 Ų2334.2 Ų34.210%0.10119%0.188CC..EExtended strand (participates in β ladder)trans-93.6150.5178.2-65.5-83.1000111.3Q10 V12 D28 L99 T101 H106Q10-F25 HydrophobicContact CG-CB 4.14Å; Q10-F25 HydrophobicContact CG-CD1 4.41Å; V12-F25 HydrophobicContact CG2-CD1 3.98Å; V12-F25 HydrophobicContact CG2-CE1 3.76Å; F25-D28 PolarHBondContact O-N 3.22Å; F25-L99 HydrophobicContact CD2-CD2 4.21Å; F25-L99 HydrophobicContact CE2-CD2 3.69Å; F25-L99 HydrophobicContact CZ-CD2 4.03Å; F25-T101 HydrophobicContact CE1-CG2 4.21Å; F25-T101 HydrophobicContact CZ-CG2 3.63Å; F25-H106 AromaticContact CE1-CE1 3.91Å
26A95.3Very high94.2Very high5 Ų534.3 Ų34.34%0.04119%0.189CC..THydrogen-bonded Turntrans-61.7138.4173.700000111.3Q10 P11 V13 A348Q10-A26 PolarHBondContact NE2-O 3.21Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.46Å; P11-A26 PolarHBondContact O-N 2.86Å; V13-A26 HydrophobicContact CG2-CB 4.27Å; A26-A348 HydrophobicContact CB-CB 3.55Å
27G92.8Very high94.2Very high50 Ų5033.9 Ų33.952%0.51519%0.187SC..THydrogen-bonded Turntrans93.2-13.4-177.200000114.8S345G27-S345 PolarHBondContact N-O 3.27Å; G27-S345 PolarHBondContact N-OG 3.44Å
28D94.3Very high94.3Very high41 Ų4133.3 Ų33.322%0.21918%0.181CC..  trans-73.4145.1169.7-71.8-26.8000110.2F25 K32 W341 S345F25-D28 PolarHBondContact O-N 3.22Å; D28-K32 IonicContact OD1-NZ 3.02Å; D28-K32 PolarHBondContact OD1-NZ 2.84Å; D28-K32 WeakPolarHBondContact OD2-CD 3.45Å; D28-K32 WeakPolarHBondContact OD2-CE 3.38Å; D28-K32 IonicContact OD2-NZ 3.32Å; D28-K32 PolarHBondContact OD2-NZ 3.46Å; D28-W341 HydrophobicContact CB-CH2 3.95Å; D28-W341 WeakPolarHBondContact O-CZ3 3.24Å; D28-S345 PolarHBondContact N-OG 3.11Å; D28-S345 PolarHBondContact O-OG 3.44Å
29Q91.2Very high94.4Very high170 Ų17033 Ų3379%0.79418%0.179SC*.SBendtrans-75.9-31.8-177.2-67.9-176-3.200113.8I342Q29-I342 WeakPolarHBondContact O-CG1 3.37Å
30I92.9Very high94.6Very high81 Ų8132.5 Ų32.542%0.41517%0.174SC..SBendtrans-133.7144.7-177-63.3176.4000107.2K32 Y338I30-K32 PolarHBondContact O-N 3.43Å; I30-Y338 HydrophobicContact CG2-CD2 4.24Å; I30-Y338 HydrophobicContact CG2-CE2 4.28Å
31P94.4Very high94.5Very high8 Ų833.2 Ų33.25%0.05217%0.171CC..  trans-58.5122.6173.423.5-33.8000110.3K22 Y33 C34 Y338 W341K22-P31 HydrophobicContact CB-CB 4.06Å; K22-P31 HydrophobicContact CB-CG 4.38Å; P31-Y33 PolarHBondContact O-N 3.01Å; P31-C34 WeakPolarHBondContact CG-SG 3.47Å; P31-Y338 HydrophobicContact CG-CD1 3.57Å; P31-Y338 HydrophobicContact CG-CD2 4.44Å; P31-Y338 HydrophobicContact CG-CE1 4.03Å; P31-Y338 HydrophobicContact CG-CG 3.8Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.9Å; P31-W341 HydrophobicContact CB-CG 3.96Å; P31-W341 HydrophobicContact CB-CZ2 4.35Å; P31-W341 HydrophobicContact CB-CZ3 4.37Å; P31-W341 VanDerWaalsContact CD-CE3 3.42Å; P31-W341 HydrophobicContact CG-CD2 4.19Å; P31-W341 HydrophobicContact CG-CE3 4.17Å; P31-W341 HydrophobicContact CG-CG 4.4Å; P31-W341 VanDerWaalsContact N-CZ3 3.31Å
32K92.4Very high94.3Very high117 Ų11735.4 Ų35.451%0.50919%0.185SC..SBendtrans-60.5-32.2176.1-76.3-179.7171.4140.30112A23 D28 I30A23-K32 PolarHBondContact O-N 2.72Å; D28-K32 IonicContact OD1-NZ 3.02Å; D28-K32 PolarHBondContact OD1-NZ 2.84Å; D28-K32 WeakPolarHBondContact OD2-CD 3.45Å; D28-K32 WeakPolarHBondContact OD2-CE 3.38Å; D28-K32 IonicContact OD2-NZ 3.32Å; D28-K32 PolarHBondContact OD2-NZ 3.46Å; I30-K32 PolarHBondContact O-N 3.43Å
33Y94.1Very high93.8Very high60 Ų6038.3 Ų38.324%0.23520%0.198CC..EExtended strand (participates in β ladder)trans-130.4115.1-168-61.8-53.2000110.4K22 A23 P31 Q98 L99K22-Y33 CarbonylContact C-O 3.53Å; K22-Y33 WeakPolarHBondContact CA-O 3.36Å; A23-Y33 PolarHBondContact N-O 3.06Å; A23-Y33 PolarHBondContact O-N 3.09Å; P31-Y33 PolarHBondContact O-N 3.01Å; Y33-Q98 HydrophobicContact CD1-CG 3.78Å; Y33-Q98 HydrophobicContact CD2-CG 3.91Å; Y33-Q98 HydrophobicContact CE1-CG 4.28Å; Y33-Q98 HydrophobicContact CE2-CG 4.48Å; Y33-Q98 WeakPolarHBondContact CE2-O 3.07Å; Y33-Q98 HydrophobicContact CG-CG 3.51Å; Y33-Q98 PolarHBondContact OH-O 3.38Å; Y33-L99 HydrophobicContact CD2-CD2 3.67Å; Y33-L99 HydrophobicContact CD2-CG 4.05Å; Y33-L99 HydrophobicContact CE2-CD2 3.68Å; Y33-L99 HydrophobicContact CE2-CG 4.15Å
34C94.6Very high93.2Very high50 Ų5045.1 Ų45.134%0.33823%0.23SC..EExtended strand (participates in β ladder)trans-131.7123.3176.1-66.10000108.6V20 P31V20-C34 HydrophobicContact CG1-CB 4.5Å; P31-C34 WeakPolarHBondContact CG-SG 3.47Å
35F94.6Very high92.3Very high5 Ų551.5 Ų51.52%0.02227%0.269CS..EExtended strand (participates in β ladder)trans-150.9159.7178.765.2-95.1000110.3V20 I21 I58 I89 Y92 V93 Q98V20-F35 WeakPolarHBondContact CG1-O 3.47Å; I21-F35 HydrophobicContact CG2-CD1 4.02Å; I21-F35 HydrophobicContact CG2-CD2 3.66Å; I21-F35 HydrophobicContact CG2-CE1 3.69Å; I21-F35 HydrophobicContact CG2-CE2 3.3Å; I21-F35 HydrophobicContact CG2-CG 4Å; I21-F35 HydrophobicContact CG2-CZ 3.31Å; I21-F35 WeakPolarHBondContact CG2-O 3.25Å; I21-F35 PolarHBondContact N-O 2.81Å; I21-F35 PolarHBondContact O-N 3.16Å; F35-I58 HydrophobicContact CD2-CG2 4.39Å; F35-I58 HydrophobicContact CE2-CG2 3.77Å; F35-I89 HydrophobicContact CE2-CG2 4.15Å; F35-I89 HydrophobicContact CZ-CG2 4.29Å; F35-Y92 HydrophobicContact CD1-CE1 4.48Å; F35-Y92 HydrophobicContact CE1-CD1 4.07Å; F35-Y92 HydrophobicContact CE1-CE1 4.19Å; F35-Y92 AromaticContact CE2-CD1 3.94Å; F35-Y92 HydrophobicContact CE2-CD1 3.94Å; F35-Y92 HydrophobicContact CE2-CE1 4.27Å; F35-Y92 AromaticContact CZ-CD1 3.61Å; F35-Y92 HydrophobicContact CZ-CD1 3.61Å; F35-Y92 HydrophobicContact CZ-CE1 4.08Å; F35-V93 HydrophobicContact CE1-CG2 3.91Å; F35-V93 HydrophobicContact CZ-CG2 3.67Å; F35-Q98 HydrophobicContact CE1-CG 4.42Å
36P93.9Very high91.3Very high6 Ų654.6 Ų54.64%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-70.5140.3-176.130.7-37.7000111.9G19 Y38 E63G19-P36 CarbonylContact O-C 3.27Å; G19-P36 WeakPolarHBondContact O-CA 3.42Å; P36-Y38 VanDerWaalsContact C-N 3.32Å; P36-Y38 HydrophobicContact CB-CD1 3.64Å; P36-Y38 HydrophobicContact CB-CE1 3.32Å; P36-Y38 HydrophobicContact CG-CD1 4.12Å; P36-Y38 HydrophobicContact CG-CE1 3.48Å; P36-Y38 VanDerWaalsContact CG-CE1 3.48Å; P36-Y38 HydrophobicContact CG-CE2 4.4Å; P36-Y38 PolarHBondContact O-N 3.48Å; P36-E63 HydrophobicContact CG-CG 3.54Å; P36-E63 WeakPolarHBondContact CG-OE1 3.36Å
37N95.2Very high90Very high0 Ų061 Ų610%032%0.317CS..SBendtrans-85.570.3-176.9-172.115.4000111.1G17 G19 I21 P74 I89G17-N37 WeakPolarHBondContact O-CB 3.22Å; G17-N37 PolarHBondContact O-ND2 3.3Å; G19-N37 PolarHBondContact O-N 3.05Å; I21-N37 HydrophobicContact CB-CB 4.34Å; N37-P74 WeakPolarHBondContact O-CD 3.44Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.35Å
38Y95Very high89Confident0 Ų066.3 Ų66.30%033%0.331CS..  trans-147.7162173.360.9-114.9000111.9P36 A62 E63 V71 R72 Y73 E212P36-Y38 VanDerWaalsContact C-N 3.32Å; P36-Y38 HydrophobicContact CB-CD1 3.64Å; P36-Y38 HydrophobicContact CB-CE1 3.32Å; P36-Y38 HydrophobicContact CG-CD1 4.12Å; P36-Y38 HydrophobicContact CG-CE1 3.48Å; P36-Y38 VanDerWaalsContact CG-CE1 3.48Å; P36-Y38 HydrophobicContact CG-CE2 4.4Å; P36-Y38 PolarHBondContact O-N 3.48Å; Y38-A62 HydrophobicContact CD2-CB 4.43Å; Y38-A62 HydrophobicContact CE2-CB 3.76Å; Y38-E63 WeakPolarHBondContact OH-CG 3.43Å; Y38-V71 HydrophobicContact CD1-CG1 3.81Å; Y38-V71 HydrophobicContact CD2-CB 4.39Å; Y38-V71 HydrophobicContact CD2-CG1 3.38Å; Y38-V71 HydrophobicContact CD2-CG2 4.26Å; Y38-V71 HydrophobicContact CE1-CG1 4.22Å; Y38-V71 HydrophobicContact CE2-CG1 3.83Å; Y38-V71 HydrophobicContact CE2-CG2 4.03Å; Y38-V71 HydrophobicContact CG-CG1 3.37Å; Y38-R72 WeakPolarHBondContact CA-O 3.4Å; Y38-R72 VanDerWaalsContact CB-O 3.32Å; Y38-R72 WeakPolarHBondContact CB-O 3.12Å; Y38-Y73 HydrophobicContact CD1-CD1 4.28Å; Y38-Y73 AromaticContact CD1-CE1 3.65Å; Y38-Y73 HydrophobicContact CD1-CE1 3.65Å; Y38-Y73 HydrophobicContact CG-CE1 4.32Å; Y38-E212 HydrophobicContact CE1-CG 4.36Å
39V95.1Very high87.4Confident0 Ų069.8 Ų69.80%037%0.365CS..EExtended strand (participates in β ladder)trans-113.3125.4175.4-1760000109.5L56 I58 R72 D85 I89V39-L56 HydrophobicContact CG1-CD2 3.43Å; V39-L56 VanDerWaalsContact CG1-CD2 3.43Å; V39-I58 HydrophobicContact CG1-CG1 4.43Å; V39-I58 HydrophobicContact CG2-CD1 4.4Å; V39-I58 HydrophobicContact CG2-CG1 4.3Å; V39-R72 PolarHBondContact N-O 3.43Å; V39-R72 PolarHBondContact O-N 3.41Å; V39-D85 HydrophobicContact CG2-CB 3.78Å; V39-I89 HydrophobicContact CG2-CD1 3.91Å; V39-I89 HydrophobicContact CG2-CG1 3.95Å
40G94.2Very high86.3Confident0 Ų065.4 Ų65.40%037%0.366CS..EExtended strand (participates in β ladder)trans-95.1132.7174.100000111.6F57G40-F57 PolarHBondContact N-O 3.46Å; G40-F57 PolarHBondContact O-N 3.43Å
41R92.6Very high85.3Confident64 Ų6463.5 Ų63.524%0.24236%0.362CS..EExtended strand (participates in β ladder)trans-122.9138.8174.1-67.1176.5175.888-7.1110.6K43 L56 L69 S70 D85R41-K43 PolarHBondContact O-N 3.3Å; R41-L56 HydrophobicContact CG-CD2 4.13Å; R41-L69 CarbonylContact O-C 3.59Å; R41-L69 WeakPolarHBondContact O-CA 3.49Å; R41-S70 PolarHBondContact N-O 3.47Å; R41-S70 PolarHBondContact O-N 2.85Å; R41-D85 IonicContact CZ-OD1 2.72Å; R41-D85 IonicContact CZ-OD2 3.32Å; R41-D85 IonicContact NH1-OD1 3.93Å; R41-D85 IonicContact NH1-OD2 2.77Å; R41-D85 PolarHBondContact NH1-OD2 3.12Å; R41-D85 VanDerWaalsContact NH2-CG 3.25Å; R41-D85 IonicContact NH2-OD1 3.8Å; R41-D85 PolarHBondContact NH2-OD1 2.91Å; R41-D85 IonicContact NH2-OD2 2.96Å; R41-D85 PolarHBondContact NH2-OD2 3.23Å
42P91.2Very high84.2Confident45 Ų4566.1 Ų66.129%0.29238%0.375SS..EExtended strand (participates in β ladder)trans-55.7132.1179.7-25.233.8000113R46 D55 F57 L69P42-R46 VanDerWaalsContact CG-NH2 3.34Å; P42-D55 VanDerWaalsContact CD-O 3.29Å; P42-D55 WeakPolarHBondContact CD-O 3.35Å; P42-F57 HydrophobicContact CG-CD2 4.47Å; P42-F57 HydrophobicContact CG-CE2 3.78Å; P42-L69 HydrophobicContact CG-CD2 4.37Å
43K86.6Confident83.3Confident79 Ų7969 Ų6934%0.34339%0.391SS..SBendtrans-77.4-34.6175.4-68.9174.9-177.6149.30113R41 G67 L68 L69R41-K43 PolarHBondContact O-N 3.3Å; K43-G67 PolarHBondContact NZ-O 3.17Å; K43-G67 VanDerWaalsContact NZ-O 3.09Å; K43-L68 PolarHBondContact N-O 2.86Å; K43-L69 WeakPolarHBondContact CE-O 3.38Å; K43-L69 PolarHBondContact NZ-O 2.86Å
44H83.3Confident82.6Confident143 Ų14368.1 Ų68.166%0.66240%0.4SS*.SBendtrans-115.9147.2-170.3-59.2-63.9000110.6
45V78.6Confident82.1Confident135 Ų13571.3 Ų71.382%0.81841%0.414SS*.  trans-65.9133.1177.5-177.60000109.3
46R75.4Confident81.9Confident88 Ų8874.6 Ų74.633%0.33243%0.431SS..  trans-74.9125.8176.8-64.7176.9176.3138.91.7109.8P42 L52 G54 D55 F57P42-R46 VanDerWaalsContact CG-NH2 3.34Å; R46-L52 PolarHBondContact NE-O 2.99Å; R46-L52 PolarHBondContact NH2-O 2.91Å; R46-G54 VanDerWaalsContact CZ-O 3.28Å; R46-G54 PolarHBondContact NH1-O 3.21Å; R46-G54 VanDerWaalsContact NH1-O 3.1Å; R46-G54 PolarHBondContact NH2-O 3.01Å; R46-D55 IonicContact CZ-OD1 3.41Å; R46-D55 IonicContact NH1-OD1 2.89Å; R46-D55 PolarHBondContact NH1-OD1 3.5Å; R46-F57 VanDerWaalsContact NH2-CZ 3.29Å
47V68Low81.8Confident138 Ų13874.7 Ų74.784%0.83643%0.431SS*.  trans-113.9-23.8179.4-1730000112.3
48M70.7Confident81.7Confident163 Ų16375.5 Ų75.580%0.80344%0.435SS*.SBendtrans-94.7135.5179.3-78.1-175.4171.200112.5A51M48-A51 PolarHBondContact O-N 3.07Å
49A62.3Low81.5Confident113 Ų11375.5 Ų75.593%0.93444%0.435SS*.THydrogen-bonded Turntrans-67.7128.7167.300000109.9
50G66.8Low81.4Confident79 Ų7978.8 Ų78.881%0.81446%0.457SS*.THydrogen-bonded Turntrans94.55.9-176.100000115.7
51A72.4Confident81.2Confident41 Ų4183 Ų8334%0.33948%0.475SS..SBendtrans-65159.316700000111.2M48 E53M48-A51 PolarHBondContact O-N 3.07Å; A51-E53 PolarHBondContact O-N 3.45Å
52L71.7Confident81.1Confident62 Ų6279.9 Ų79.933%0.32546%0.463SS..  trans-38.1112.1176.1-88.6142.3000111.6R46 F57 H65 L68R46-L52 PolarHBondContact NE-O 2.99Å; R46-L52 PolarHBondContact NH2-O 2.91Å; L52-F57 HydrophobicContact CB-CE1 3.95Å; L52-F57 HydrophobicContact CB-CZ 3.85Å; L52-F57 HydrophobicContact CD2-CD1 4.32Å; L52-F57 HydrophobicContact CD2-CE1 3.56Å; L52-F57 HydrophobicContact CD2-CZ 4.33Å; L52-F57 HydrophobicContact CG-CE1 4.28Å; L52-H65 HydrophobicContact CD1-CB 4.2Å; L52-H65 VanDerWaalsContact CD1-CD2 3.41Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.48Å; L52-L68 HydrophobicContact CD1-CD1 4.4Å
53E74Confident81Confident177 Ų17780.8 Ų80.883%0.82746%0.463SS*.  trans-74.7146.5-178.4-64.8-176.1169.700111.3A51A51-E53 PolarHBondContact O-N 3.45Å
54G78.1Confident81.2Confident43 Ų4384.1 Ų84.144%0.44348%0.48SS..SBendtrans91.3145.4177.100000114.4R46 F57R46-G54 VanDerWaalsContact CZ-O 3.28Å; R46-G54 PolarHBondContact NH1-O 3.21Å; R46-G54 VanDerWaalsContact NH1-O 3.1Å; R46-G54 PolarHBondContact NH2-O 3.01Å; G54-F57 WeakPolarHBondContact O-CE2 3.48Å; G54-F57 WeakPolarHBondContact O-CZ 3.24Å
55D83.8Confident81.4Confident117 Ų11779.6 Ų79.663%0.62646%0.459SS*.SBendtrans-92.4-0.8-172-61.4-27.7000114.1P42 R46P42-D55 VanDerWaalsContact CD-O 3.29Å; P42-D55 WeakPolarHBondContact CD-O 3.35Å; R46-D55 IonicContact CZ-OD1 3.41Å; R46-D55 IonicContact NH1-OD1 2.89Å; R46-D55 PolarHBondContact NH1-OD1 3.5Å
56L90.2Very high81.7Confident73 Ų7375.6 Ų75.638%0.38243%0.43SS..  trans-134.2126.6-173-73.7156.1000109.6V39 R41V39-L56 HydrophobicContact CG1-CD2 3.43Å; V39-L56 VanDerWaalsContact CG1-CD2 3.43Å; R41-L56 HydrophobicContact CG-CD2 4.13Å
57F92.4Very high82.2Confident9 Ų974 Ų744%0.03944%0.441CS..EExtended strand (participates in β ladder)trans-121.6128.1-179.5-62.3-88.6000109.3G40 P42 R46 L52 G54 K61 A62 L69G40-F57 PolarHBondContact N-O 3.46Å; G40-F57 PolarHBondContact O-N 3.43Å; P42-F57 HydrophobicContact CG-CD2 4.47Å; P42-F57 HydrophobicContact CG-CE2 3.78Å; R46-F57 VanDerWaalsContact NH2-CZ 3.29Å; L52-F57 HydrophobicContact CB-CE1 3.95Å; L52-F57 HydrophobicContact CB-CZ 3.85Å; L52-F57 HydrophobicContact CD2-CD1 4.32Å; L52-F57 HydrophobicContact CD2-CE1 3.56Å; L52-F57 HydrophobicContact CD2-CZ 4.33Å; L52-F57 HydrophobicContact CG-CE1 4.28Å; G54-F57 WeakPolarHBondContact O-CE2 3.48Å; G54-F57 WeakPolarHBondContact O-CZ 3.24Å; F57-K61 HydrophobicContact CD1-CB 4.31Å; F57-A62 HydrophobicContact CB-CB 3.97Å; F57-L69 HydrophobicContact CB-CD1 3.74Å; F57-L69 HydrophobicContact CB-CD2 4.39Å; F57-L69 HydrophobicContact CD2-CD1 4.26Å; F57-L69 HydrophobicContact CD2-CD2 3.39Å; F57-L69 HydrophobicContact CD2-CG 4.48Å; F57-L69 HydrophobicContact CE2-CD2 3.91Å; F57-L69 HydrophobicContact CG-CD1 4Å; F57-L69 HydrophobicContact CG-CD2 3.98Å
58I93.7Very high83.2Confident16 Ų1672.2 Ų72.28%0.08243%0.426CS..EExtended strand (participates in β ladder)trans-132.1148.8-179.6-56.9173.6000107.8F35 V39 R88 I89 Y92F35-I58 HydrophobicContact CD2-CG2 4.39Å; F35-I58 HydrophobicContact CE2-CG2 3.77Å; V39-I58 HydrophobicContact CG1-CG1 4.43Å; V39-I58 HydrophobicContact CG2-CD1 4.4Å; V39-I58 HydrophobicContact CG2-CG1 4.3Å; I58-R88 HydrophobicContact CD1-CB 3.96Å; I58-I89 HydrophobicContact CD1-CG1 4.06Å; I58-I89 HydrophobicContact CG2-CG1 4.03Å; I58-Y92 HydrophobicContact CB-CD1 4.15Å; I58-Y92 HydrophobicContact CB-CD2 4.14Å; I58-Y92 HydrophobicContact CB-CG 3.92Å; I58-Y92 HydrophobicContact CG2-CD1 3.56Å; I58-Y92 HydrophobicContact CG2-CD2 4.42Å; I58-Y92 HydrophobicContact CG2-CE1 4.15Å; I58-Y92 HydrophobicContact CG2-CG 3.72Å
59G91.4Very high84.1Confident0 Ų064.7 Ų64.70%039%0.389CS..THydrogen-bonded Turntrans69.2-143.917400000113.9K61 A62 E63G59-K61 VanDerWaalsContact C-N 3.29Å; G59-K61 PolarHBondContact O-N 2.92Å; G59-A62 WeakPolarHBondContact O-CB 3.2Å; G59-A62 PolarHBondContact O-N 3.43Å; G59-E63 PolarHBondContact O-N 2.91Å; G59-E63 VanDerWaalsContact O-N 3.12Å
60P91.6Very high85.5Confident69 Ų6961.2 Ų61.245%0.44836%0.358SS..Hα-helixtrans-55.9-37.2-173.3-26.935.1000114.3A62 E63 E64P60-A62 VanDerWaalsContact C-N 3.29Å; P60-A62 PolarHBondContact O-N 2.73Å; P60-E63 WeakPolarHBondContact O-CB 3.44Å; P60-E63 PolarHBondContact O-N 3.35Å; P60-E63 VanDerWaalsContact O-N 3.1Å; P60-E64 PolarHBondContact O-N 2.69Å
61K90.6Very high86.8Confident88 Ų8858 Ų5838%0.38332%0.322SS..Hα-helixtrans-62.6-37.2176.9-69.7177.9176.9171.20112.2F57 G59 E63 H65 E97F57-K61 HydrophobicContact CD1-CB 4.31Å; G59-K61 VanDerWaalsContact C-N 3.29Å; G59-K61 PolarHBondContact O-N 2.92Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-H65 PolarHBondContact O-CD2 2.96Å; K61-H65 PolarHBondContact O-N 2.82Å; K61-E97 VanDerWaalsContact NZ-CD 3.33Å; K61-E97 IonicContact NZ-OE1 3.78Å; K61-E97 PolarHBondContact NZ-OE1 3.48Å; K61-E97 IonicContact NZ-OE2 3.77Å; K61-E97 PolarHBondContact NZ-OE2 3.22Å
62A90.9Very high87.7Confident0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-71.7-33.4175.800000111.5Y38 F57 G59 P60 R66 L69Y38-A62 HydrophobicContact CD2-CB 4.43Å; Y38-A62 HydrophobicContact CE2-CB 3.76Å; F57-A62 HydrophobicContact CB-CB 3.97Å; G59-A62 WeakPolarHBondContact O-CB 3.2Å; G59-A62 PolarHBondContact O-N 3.43Å; P60-A62 VanDerWaalsContact C-N 3.29Å; P60-A62 PolarHBondContact O-N 2.73Å; A62-R66 WeakPolarHBondContact O-CG 3.5Å; A62-R66 PolarHBondContact O-N 3.34Å; A62-L69 HydrophobicContact CB-CD1 4.19Å
63E89.1Confident88.8Confident63 Ų6362.9 Ų62.929%0.29433%0.328SS..Hα-helixtrans-71.5-35177.1-71.7-157.2117.300114.1P36 Y38 G59 P60 K61 R66P36-E63 HydrophobicContact CG-CG 3.54Å; P36-E63 WeakPolarHBondContact CG-OE1 3.36Å; Y38-E63 WeakPolarHBondContact OH-CG 3.43Å; G59-E63 PolarHBondContact O-N 2.91Å; G59-E63 VanDerWaalsContact O-N 3.12Å; P60-E63 WeakPolarHBondContact O-CB 3.44Å; P60-E63 PolarHBondContact O-N 3.35Å; P60-E63 VanDerWaalsContact O-N 3.1Å; K61-E63 VanDerWaalsContact C-N 3.34Å; E63-R66 VanDerWaalsContact CB-NH2 3.3Å; E63-R66 VanDerWaalsContact CG-NH2 3.28Å; E63-R66 WeakPolarHBondContact O-CD 3.16Å; E63-R66 VanDerWaalsContact O-CG 3.29Å; E63-R66 WeakPolarHBondContact O-CG 3.45Å; E63-R66 PolarHBondContact O-NE 3.2Å; E63-R66 IonicContact OE1-CZ 2.96Å; E63-R66 IonicContact OE1-NH1 3.52Å; E63-R66 IonicContact OE1-NH2 3.36Å; E63-R66 PolarHBondContact OE1-NH2 3.29Å
64E89.7Confident89.8Confident149 Ų14954.5 Ų54.570%0.69629%0.289SS*.Hα-helixtrans-73.4-41.6177.9-172.4177.1174.600111P60P60-E64 PolarHBondContact O-N 2.69Å
65H88.4Confident90.5Very high49 Ų4952.8 Ų52.823%0.22727%0.27CS..SBendtrans-102.224.7-173.1-56.7-54.7000114.1L52 K61 G67 L68 L69L52-H65 HydrophobicContact CD1-CB 4.2Å; L52-H65 VanDerWaalsContact CD1-CD2 3.41Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.48Å; K61-H65 PolarHBondContact O-CD2 2.96Å; K61-H65 PolarHBondContact O-N 2.82Å; H65-G67 PolarHBondContact O-N 3.36Å; H65-L68 HydrophobicContact CB-CD1 4.43Å; H65-L68 PolarHBondContact O-N 3.42Å; H65-L69 HydrophobicContact CB-CD1 4.25Å; H65-L69 WeakPolarHBondContact O-CG 3.46Å; H65-L69 PolarHBondContact O-N 3.45Å
66R85.4Confident90.9Very high50 Ų5050.4 Ų50.419%0.18926%0.255CS..G310 helixtrans-49.1-39.3-175.8-66.2175.8-144.6-136.2-1.5113.7A62 E63 L68 L69 A209 E212A62-R66 WeakPolarHBondContact O-CG 3.5Å; A62-R66 PolarHBondContact O-N 3.34Å; E63-R66 VanDerWaalsContact CB-NH2 3.3Å; E63-R66 VanDerWaalsContact CG-NH2 3.28Å; E63-R66 WeakPolarHBondContact O-CD 3.16Å; E63-R66 VanDerWaalsContact O-CG 3.29Å; E63-R66 WeakPolarHBondContact O-CG 3.45Å; E63-R66 PolarHBondContact O-NE 3.2Å; E63-R66 IonicContact OE1-CZ 2.96Å; E63-R66 IonicContact OE1-NH1 3.52Å; E63-R66 IonicContact OE1-NH2 3.36Å; E63-R66 PolarHBondContact OE1-NH2 3.29Å; R66-L68 VanDerWaalsContact C-N 3.25Å; R66-L68 PolarHBondContact O-N 3.14Å; R66-L69 PolarHBondContact O-N 3.47Å; R66-L69 VanDerWaalsContact O-N 3.13Å; R66-L69 VanDerWaalsContact O-O 3.06Å; R66-A209 HydrophobicContact CB-CB 4.09Å; R66-A209 VanDerWaalsContact O-CB 3.29Å; R66-A209 WeakPolarHBondContact O-CB 3.42Å; R66-E212 IonicContact NH1-OE2 3.65Å; R66-E212 PolarHBondContact NH1-OE2 3.42Å
67G85.6Confident91Very high56 Ų5649 Ų4958%0.57725%0.246SC*.G310 helixtrans-58.1-37.7-179.300000113.2K43 H65 L69K43-G67 PolarHBondContact NZ-O 3.17Å; K43-G67 VanDerWaalsContact NZ-O 3.09Å; H65-G67 PolarHBondContact O-N 3.36Å; G67-L69 VanDerWaalsContact C-N 3.34Å
68L88.3Confident90.8Very high100 Ų10048.7 Ų48.752%0.52425%0.246SC..G310 helixtrans-81.2-15.5-178.3-55.6178.4000113K43 L52 H65 R66K43-L68 PolarHBondContact N-O 2.86Å; L52-L68 HydrophobicContact CD1-CD1 4.4Å; H65-L68 HydrophobicContact CB-CD1 4.43Å; H65-L68 PolarHBondContact O-N 3.42Å; R66-L68 VanDerWaalsContact C-N 3.25Å; R66-L68 PolarHBondContact O-N 3.14Å
69L90.6Very high90.8Very high4 Ų450 Ų502%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-109.1139.1-168.9-58.1173.1000111.9R41 P42 K43 F57 A62 H65 R66 G67R41-L69 CarbonylContact O-C 3.59Å; R41-L69 WeakPolarHBondContact O-CA 3.49Å; P42-L69 HydrophobicContact CG-CD2 4.37Å; K43-L69 WeakPolarHBondContact CE-O 3.38Å; K43-L69 PolarHBondContact NZ-O 2.86Å; F57-L69 HydrophobicContact CB-CD1 3.74Å; F57-L69 HydrophobicContact CB-CD2 4.39Å; F57-L69 HydrophobicContact CD2-CD1 4.26Å; F57-L69 HydrophobicContact CD2-CD2 3.39Å; F57-L69 HydrophobicContact CD2-CG 4.48Å; F57-L69 HydrophobicContact CE2-CD2 3.91Å; F57-L69 HydrophobicContact CG-CD1 4Å; F57-L69 HydrophobicContact CG-CD2 3.98Å; A62-L69 HydrophobicContact CB-CD1 4.19Å; H65-L69 HydrophobicContact CB-CD1 4.25Å; H65-L69 WeakPolarHBondContact O-CG 3.46Å; H65-L69 PolarHBondContact O-N 3.45Å; R66-L69 PolarHBondContact O-N 3.47Å; R66-L69 VanDerWaalsContact O-N 3.13Å; R66-L69 VanDerWaalsContact O-O 3.06Å; G67-L69 VanDerWaalsContact C-N 3.34Å
70S91.4Very high91Very high40 Ų4050.8 Ų50.828%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-83.4114160.3177.10000107.7R41R41-S70 PolarHBondContact N-O 3.47Å; R41-S70 PolarHBondContact O-N 2.85Å
71V92.3Very high91.1Very high11 Ų1152.4 Ų52.47%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-92.2131-176.9174.40000109.7Y38 Y73 S208Y38-V71 HydrophobicContact CD1-CG1 3.81Å; Y38-V71 HydrophobicContact CD2-CB 4.39Å; Y38-V71 HydrophobicContact CD2-CG1 3.38Å; Y38-V71 HydrophobicContact CD2-CG2 4.26Å; Y38-V71 HydrophobicContact CE1-CG1 4.22Å; Y38-V71 HydrophobicContact CE2-CG1 3.83Å; Y38-V71 HydrophobicContact CE2-CG2 4.03Å; Y38-V71 HydrophobicContact CG-CG1 3.37Å; V71-Y73 HydrophobicContact CG1-CE2 4.29Å; V71-S208 PolarHBondContact N-OG 3.24Å; V71-S208 VanDerWaalsContact N-OG 3.14Å
72R92.9Very high91.3Very high152 Ų15250.8 Ų50.857%0.57426%0.257SS*.EExtended strand (participates in β ladder)trans-131.3134.1174.3-65.8-174.3179.2-177.4-0.2110.5Y38 V39Y38-R72 WeakPolarHBondContact CA-O 3.4Å; Y38-R72 VanDerWaalsContact CB-O 3.32Å; Y38-R72 WeakPolarHBondContact CB-O 3.12Å; V39-R72 PolarHBondContact N-O 3.43Å; V39-R72 PolarHBondContact O-N 3.41Å
73Y94Very high91.5Very high54 Ų5453.2 Ų53.221%0.21227%0.267CS..  trans-92125.8176.1-57.6-97000108.9Y38 V71 M75 E212Y38-Y73 HydrophobicContact CD1-CD1 4.28Å; Y38-Y73 AromaticContact CD1-CE1 3.65Å; Y38-Y73 HydrophobicContact CD1-CE1 3.65Å; Y38-Y73 HydrophobicContact CG-CE1 4.32Å; V71-Y73 HydrophobicContact CG1-CE2 4.29Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; Y73-E212 PolarHBondContact OH-OE1 2.9Å
74P95.3Very high91.9Very high1 Ų154.9 Ų54.91%0.00628%0.278CS..SBendtrans-77.2-17177.231.6-36.4000113N37 N81 D82 D85 M86 I89N37-P74 WeakPolarHBondContact O-CD 3.44Å; P74-N81 PolarHBondContact O-N 2.92Å; P74-D82 HydrophobicContact CB-CB 4.31Å; P74-D82 PolarHBondContact O-N 3.28Å; P74-D85 HydrophobicContact CB-CB 3.8Å; P74-D85 HydrophobicContact CG-CB 4.48Å; P74-M86 HydrophobicContact CB-CG 3.85Å; P74-M86 HydrophobicContact CB-SD 3.82Å; P74-M86 HydrophobicContact CG-CG 4.12Å; P74-M86 HydrophobicContact CG-SD 3.39Å; P74-M86 WeakPolarHBondContact CG-SD 3.38Å; P74-I89 HydrophobicContact CG-CD1 3.71Å
75M93.8Very high92.2Very high8 Ų847.8 Ų47.84%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-116.9132.8-179.3-162.7-172.8-147.900111.1S18 Y73 G78 I79 V80 R188S18-M75 VanDerWaalsContact CA-SD 3.54Å; S18-M75 PolarHBondContact OG-SD 3.25Å; S18-M75 VanDerWaalsContact OG-SD 3.37Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; M75-G78 WeakPolarHBondContact CE-O 3.48Å; M75-I79 CarbonylContact C-O 3.6Å; M75-I79 VanDerWaalsContact CA-O 3.31Å; M75-I79 WeakPolarHBondContact CA-O 3.4Å; M75-I79 VanDerWaalsContact CG-O 3.25Å; M75-I79 WeakPolarHBondContact CG-O 3.31Å; M75-V80 HydrophobicContact CE-CG2 4.48Å; M75-V80 HydrophobicContact CG-CG2 4.43Å; M75-R188 PolarHBondContact O-NH1 2.85Å
76E91.5Very high92.5Very high67 Ų6745.5 Ų45.531%0.31323%0.234SC..EExtended strand (participates in β ladder)trans-133135.4174.5-169.1162.4-144.900109.3G78 I79 R192E76-G78 PolarHBondContact O-N 3.19Å; E76-G78 VanDerWaalsContact O-N 3.12Å; E76-I79 PolarHBondContact N-O 3.26Å; E76-I79 WeakPolarHBondContact O-CB 3.44Å; E76-I79 PolarHBondContact O-N 3.33Å; E76-I79 VanDerWaalsContact O-O 3.06Å; E76-R192 IonicContact OE1-CZ 3.83Å; E76-R192 IonicContact OE1-NH1 3.15Å; E76-R192 IonicContact OE1-NH2 2.92Å; E76-R192 PolarHBondContact OE1-NH2 3.39Å
77H91.8Very high93.1Very high43 Ų4345.9 Ų45.920%0.19924%0.238CC..THydrogen-bonded Turntrans49.338.6-176.2-52.5-56.7000115I79 G163 R182 D184 D189H77-I79 PolarHBondContact O-N 3.38Å; H77-G163 WeakPolarHBondContact CA-O 3.35Å; H77-G163 PolarHBondContact ND1-O 3.42Å; H77-R182 PolarHBondContact O-NH2 2.94Å; H77-D184 HydrophobicContact CB-CB 4.16Å; H77-D184 PolarHBondContact CE1-O 3.1Å; H77-D184 PolarHBondContact ND1-O 2.86Å; H77-D189 IonicContact CE1-OD2 3.47Å
78G89Confident93.5Very high3 Ų347.4 Ų47.43%0.03123%0.226CC..THydrogen-bonded Turntrans70.610.6-178.100000114.9S18 M75 E76S18-G78 WeakPolarHBondContact OG-CA 3.49Å; S18-G78 PolarHBondContact OG-N 2.7Å; M75-G78 WeakPolarHBondContact CE-O 3.48Å; E76-G78 PolarHBondContact O-N 3.19Å; E76-G78 VanDerWaalsContact O-N 3.12Å
79I93.6Very high93.9Very high43 Ų4342.7 Ų42.722%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-116.7133.3179.4-61.2178.4000108.4M75 E76 H77 N120M75-I79 CarbonylContact C-O 3.6Å; M75-I79 VanDerWaalsContact CA-O 3.31Å; M75-I79 WeakPolarHBondContact CA-O 3.4Å; M75-I79 VanDerWaalsContact CG-O 3.25Å; M75-I79 WeakPolarHBondContact CG-O 3.31Å; E76-I79 PolarHBondContact N-O 3.26Å; E76-I79 WeakPolarHBondContact O-CB 3.44Å; E76-I79 PolarHBondContact O-N 3.33Å; E76-I79 VanDerWaalsContact O-O 3.06Å; H77-I79 PolarHBondContact O-N 3.38Å; I79-N120 VanDerWaalsContact CG2-ND2 3.25Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.27Å
80V95.1Very high94.2Very high16 Ų1642.6 Ų42.610%0.09720%0.201CC..EExtended strand (participates in β ladder)trans-78.7121.6175.2175.50000109.3M75 W83 M86M75-V80 HydrophobicContact CE-CG2 4.48Å; M75-V80 HydrophobicContact CG-CG2 4.43Å; V80-W83 HydrophobicContact CB-CD2 4.4Å; V80-W83 HydrophobicContact CB-CH2 4.06Å; V80-W83 HydrophobicContact CB-CZ2 3.91Å; V80-W83 HydrophobicContact CB-CZ3 4.36Å; V80-W83 HydrophobicContact CG1-CD2 3.64Å; V80-W83 HydrophobicContact CG1-CE3 3.84Å; V80-W83 HydrophobicContact CG1-CG 4.09Å; V80-W83 HydrophobicContact CG1-CH2 4.27Å; V80-W83 HydrophobicContact CG1-CZ2 4.08Å; V80-W83 HydrophobicContact CG1-CZ3 4.17Å; V80-W83 HydrophobicContact CG2-CH2 4.37Å; V80-M86 HydrophobicContact CB-CG 4.13Å; V80-M86 HydrophobicContact CG1-CB 4.09Å; V80-M86 HydrophobicContact CG1-CG 3.3Å; V80-M86 HydrophobicContact CG2-CG 3.71Å; V80-M86 HydrophobicContact CG2-SD 4.3Å
81N93.3Very high94.4Very high104 Ų10446.5 Ų46.556%0.55622%0.215SC*.SBendtrans-101.4-38.2176.9-69.8-22.8000111.9P74P74-N81 PolarHBondContact O-N 2.92Å
82D95.7Very high94.5Very high53 Ų5347.3 Ų47.328%0.28322%0.217SC..  trans-112.8100.2176.5-167.4-22000110.6P74 N84 D85 M86P74-D82 HydrophobicContact CB-CB 4.31Å; P74-D82 PolarHBondContact O-N 3.28Å; D82-N84 WeakPolarHBondContact OD1-CB 3.46Å; D82-N84 PolarHBondContact OD1-N 3.23Å; D82-D85 HydrophobicContact CB-CB 4.23Å; D82-D85 PolarHBondContact O-N 3.06Å; D82-D85 PolarHBondContact OD1-N 3.08Å; D82-M86 PolarHBondContact O-N 3.49Å; D82-M86 VanDerWaalsContact O-N 3.12Å
83W95.6Very high94.6Very high51 Ų5140 Ų4019%0.19319%0.189CC..Hα-helixtrans-69.5-31.1-179.6-71.598.2000113.2V80 D85 M86 E87 W90 N120 K123 A124 I127V80-W83 HydrophobicContact CB-CD2 4.4Å; V80-W83 HydrophobicContact CB-CH2 4.06Å; V80-W83 HydrophobicContact CB-CZ2 3.91Å; V80-W83 HydrophobicContact CB-CZ3 4.36Å; V80-W83 HydrophobicContact CG1-CD2 3.64Å; V80-W83 HydrophobicContact CG1-CE3 3.84Å; V80-W83 HydrophobicContact CG1-CG 4.09Å; V80-W83 HydrophobicContact CG1-CH2 4.27Å; V80-W83 HydrophobicContact CG1-CZ2 4.08Å; V80-W83 HydrophobicContact CG1-CZ3 4.17Å; V80-W83 HydrophobicContact CG2-CH2 4.37Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 2.7Å; W83-M86 PolarHBondContact O-N 3.46Å; W83-E87 WeakPolarHBondContact O-CB 3.42Å; W83-E87 PolarHBondContact O-N 3.39Å; W83-W90 AromaticContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CZ3 4.41Å; W83-N120 HydrophobicContact CH2-CB 4.22Å; W83-N120 WeakPolarHBondContact CH2-O 3.43Å; W83-N120 HydrophobicContact CZ2-CB 3.88Å; W83-K123 HydrophobicContact CD2-CB 4.44Å; W83-K123 HydrophobicContact CD2-CG 3.67Å; W83-K123 HydrophobicContact CE3-CG 3.86Å; W83-K123 HydrophobicContact CG-CG 4.22Å; W83-K123 HydrophobicContact CH2-CB 3.9Å; W83-K123 HydrophobicContact CH2-CG 4.14Å; W83-K123 HydrophobicContact CZ2-CB 3.83Å; W83-K123 HydrophobicContact CZ2-CG 3.98Å; W83-K123 HydrophobicContact CZ3-CB 4.23Å; W83-K123 HydrophobicContact CZ3-CG 4.07Å; W83-A124 HydrophobicContact CH2-CB 4.18Å; W83-A124 HydrophobicContact CZ3-CB 4.1Å; W83-I127 HydrophobicContact CD2-CD1 4.31Å; W83-I127 HydrophobicContact CE3-CD1 3.44Å; W83-I127 VanDerWaalsContact CE3-CD1 3.44Å; W83-I127 HydrophobicContact CZ3-CD1 4.01Å
84N95.9Very high94.7Very high98 Ų9838.2 Ų38.252%0.52418%0.182SC..Hα-helixtrans-67.3-38.1179.1-56.9-64.9000110.7D82 R88D82-N84 WeakPolarHBondContact OD1-CB 3.46Å; D82-N84 PolarHBondContact OD1-N 3.23Å; N84-R88 VanDerWaalsContact O-CG 3.28Å; N84-R88 WeakPolarHBondContact O-CG 3.35Å; N84-R88 PolarHBondContact O-N 2.91Å
85D95.7Very high94.6Very high1 Ų139.7 Ų39.71%0.00519%0.193CC..Hα-helixtrans-75.7-35.3177.9-79.71.7000111.9V39 R41 P74 D82 W83 R88 I89V39-D85 HydrophobicContact CG2-CB 3.78Å; R41-D85 IonicContact CZ-OD1 2.72Å; R41-D85 IonicContact CZ-OD2 3.32Å; R41-D85 IonicContact NH1-OD1 3.93Å; R41-D85 IonicContact NH1-OD2 2.77Å; R41-D85 PolarHBondContact NH1-OD2 3.12Å; R41-D85 VanDerWaalsContact NH2-CG 3.25Å; R41-D85 IonicContact NH2-OD1 3.8Å; R41-D85 PolarHBondContact NH2-OD1 2.91Å; R41-D85 IonicContact NH2-OD2 2.96Å; R41-D85 PolarHBondContact NH2-OD2 3.23Å; P74-D85 HydrophobicContact CB-CB 3.8Å; P74-D85 HydrophobicContact CG-CB 4.48Å; D82-D85 HydrophobicContact CB-CB 4.23Å; D82-D85 PolarHBondContact O-N 3.06Å; D82-D85 PolarHBondContact OD1-N 3.08Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 2.7Å; D85-R88 PolarHBondContact O-N 2.85Å; D85-R88 IonicContact OD1-NH1 3.21Å; D85-R88 PolarHBondContact OD1-NH1 2.86Å; D85-I89 VanDerWaalsContact O-CG1 3.31Å; D85-I89 WeakPolarHBondContact O-CG1 3.22Å; D85-I89 PolarHBondContact O-N 3.06Å; D85-I89 VanDerWaalsContact O-N 3.08Å
86M96.4Very high94.3Very high0 Ų047.9 Ų47.90%023%0.228CC..Hα-helixtrans-63.2-43.5170.5-79.8-51-58.400112.9P74 V80 D82 W83 R88 I89 W90P74-M86 HydrophobicContact CB-CG 3.85Å; P74-M86 HydrophobicContact CB-SD 3.82Å; P74-M86 HydrophobicContact CG-CG 4.12Å; P74-M86 HydrophobicContact CG-SD 3.39Å; P74-M86 WeakPolarHBondContact CG-SD 3.38Å; V80-M86 HydrophobicContact CB-CG 4.13Å; V80-M86 HydrophobicContact CG1-CB 4.09Å; V80-M86 HydrophobicContact CG1-CG 3.3Å; V80-M86 HydrophobicContact CG2-CG 3.71Å; V80-M86 HydrophobicContact CG2-SD 4.3Å; D82-M86 PolarHBondContact O-N 3.49Å; D82-M86 VanDerWaalsContact O-N 3.12Å; W83-M86 PolarHBondContact O-N 3.46Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 2.92Å; M86-I89 PolarHBondContact O-N 2.84Å; M86-I89 VanDerWaalsContact O-N 3.11Å; M86-W90 HydrophobicContact CB-CH2 4.42Å; M86-W90 HydrophobicContact CB-CZ3 4.44Å; M86-W90 HydrophobicContact CE-CZ2 3.7Å; M86-W90 PolarHBondContact O-N 3.07Å
87E96.3Very high93.9Very high59 Ų5949.3 Ų49.328%0.27624%0.235SC..Hα-helixtrans-59.9-44.1178.4-172.4-173.8144.100111.1W83 I89 W90 Q91 I127 T131 F132W83-E87 WeakPolarHBondContact O-CB 3.42Å; W83-E87 PolarHBondContact O-N 3.39Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 3.33Å; E87-W90 PolarHBondContact O-N 2.95Å; E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 PolarHBondContact O-N 3.03Å; E87-I127 HydrophobicContact CG-CG2 4.06Å; E87-T131 WeakPolarHBondContact OE1-CG2 3.18Å; E87-F132 HydrophobicContact CG-CE2 4.15Å; E87-F132 HydrophobicContact CG-CZ 4.22Å
88R95.4Very high93.8Very high88 Ų8848.1 Ų48.133%0.33223%0.229SC..Hα-helixtrans-61.4-37.2174.1-71.3170.2-179.6116.712.1112.9I58 N84 D85 M86 Q91 Y92I58-R88 HydrophobicContact CD1-CB 3.96Å; N84-R88 VanDerWaalsContact O-CG 3.28Å; N84-R88 WeakPolarHBondContact O-CG 3.35Å; N84-R88 PolarHBondContact O-N 2.91Å; D85-R88 PolarHBondContact O-N 2.85Å; D85-R88 IonicContact OD1-NH1 3.21Å; D85-R88 PolarHBondContact OD1-NH1 2.86Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 2.92Å; R88-Q91 PolarHBondContact O-N 3.21Å; R88-Y92 WeakPolarHBondContact O-CB 3.45Å; R88-Y92 PolarHBondContact O-N 3.49Å
89I96.1Very high93.8Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-67-43176.2-70.8175.5000110.6I21 F35 N37 V39 I58 P74 D85 M86 E87 Q91 Y92 V93I21-I89 HydrophobicContact CD1-CG2 3.82Å; I21-I89 HydrophobicContact CG2-CG2 4.45Å; F35-I89 HydrophobicContact CE2-CG2 4.15Å; F35-I89 HydrophobicContact CZ-CG2 4.29Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.35Å; V39-I89 HydrophobicContact CG2-CD1 3.91Å; V39-I89 HydrophobicContact CG2-CG1 3.95Å; I58-I89 HydrophobicContact CD1-CG1 4.06Å; I58-I89 HydrophobicContact CG2-CG1 4.03Å; P74-I89 HydrophobicContact CG-CD1 3.71Å; D85-I89 VanDerWaalsContact O-CG1 3.31Å; D85-I89 WeakPolarHBondContact O-CG1 3.22Å; D85-I89 PolarHBondContact O-N 3.06Å; D85-I89 VanDerWaalsContact O-N 3.08Å; M86-I89 PolarHBondContact O-N 2.84Å; M86-I89 VanDerWaalsContact O-N 3.11Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 3.33Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; I89-Y92 WeakPolarHBondContact O-CB 3.47Å; I89-Y92 PolarHBondContact O-N 3.31Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 3.05Å
90W96.5Very high93.8Very high3 Ų352.9 Ų52.91%0.01125%0.25CC..Hα-helixtrans-65.3-38.1174.2-65.5-35.1000112.4N16 W83 M86 E87 Y92 V93 Y94 A124 I127 F128 F132N16-W90 PolarHBondContact OD1-NE1 2.7Å; W83-W90 AromaticContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CZ3 4.41Å; M86-W90 HydrophobicContact CB-CH2 4.42Å; M86-W90 HydrophobicContact CB-CZ3 4.44Å; M86-W90 HydrophobicContact CE-CZ2 3.7Å; M86-W90 PolarHBondContact O-N 3.07Å; E87-W90 PolarHBondContact O-N 2.95Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 2.96Å; W90-V93 WeakPolarHBondContact O-CB 3.32Å; W90-V93 PolarHBondContact O-N 3.47Å; W90-V93 VanDerWaalsContact O-N 3.16Å; W90-Y94 WeakPolarHBondContact O-CD2 3.48Å; W90-Y94 PolarHBondContact O-N 3.2Å; W90-Y94 VanDerWaalsContact O-N 3.16Å; W90-A124 HydrophobicContact CH2-CB 4.26Å; W90-I127 HydrophobicContact CE3-CG2 3.91Å; W90-I127 HydrophobicContact CZ3-CB 4.26Å; W90-I127 HydrophobicContact CZ3-CD1 4.05Å; W90-I127 HydrophobicContact CZ3-CG2 3.86Å; W90-F128 AromaticContact CD2-CE2 3.87Å; W90-F128 HydrophobicContact CD2-CE2 3.87Å; W90-F128 AromaticContact CD2-CZ 3.76Å; W90-F128 HydrophobicContact CD2-CZ 3.76Å; W90-F128 AromaticContact CE2-CE2 3.87Å; W90-F128 AromaticContact CE2-CZ 3.93Å; W90-F128 AromaticContact CE3-CE2 3.92Å; W90-F128 HydrophobicContact CE3-CE2 3.92Å; W90-F128 HydrophobicContact CE3-CZ 4.14Å; W90-F128 AromaticContact CG-CZ 3.94Å; W90-F128 HydrophobicContact CG-CZ 3.94Å; W90-F128 AromaticContact CH2-CE2 3.96Å; W90-F128 HydrophobicContact CH2-CE2 3.96Å; W90-F128 AromaticContact CZ2-CE2 3.93Å; W90-F128 HydrophobicContact CZ2-CE2 3.93Å; W90-F128 HydrophobicContact CZ2-CZ 4.44Å; W90-F128 AromaticContact CZ3-CE2 3.96Å; W90-F128 HydrophobicContact CZ3-CE2 3.96Å; W90-F132 HydrophobicContact CB-CE2 3.89Å; W90-F132 HydrophobicContact CB-CZ 3.71Å; W90-F132 HydrophobicContact CE3-CE2 4.22Å
91Q95.4Very high93.6Very high121 Ų12153.5 Ų53.557%0.56525%0.253SS*.Hα-helixtrans-61.7-39.5172.6-169.1-17914.600111.4E87 R88 I89 Y94 S95 F132E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 PolarHBondContact O-N 3.03Å; R88-Q91 PolarHBondContact O-N 3.21Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Q91-S95 WeakPolarHBondContact O-CB 3.28Å; Q91-S95 PolarHBondContact O-N 3.23Å; Q91-F132 HydrophobicContact CB-CE1 4.08Å; Q91-F132 HydrophobicContact CB-CZ 4.17Å
92Y95Very high93.6Very high28 Ų2855.3 Ų55.311%0.1126%0.257CS..Hα-helixtrans-63.4-40173.8-176.4-101.1000112.2F35 I58 R88 I89 W90 Y94 S95 E97F35-Y92 HydrophobicContact CD1-CE1 4.48Å; F35-Y92 HydrophobicContact CE1-CD1 4.07Å; F35-Y92 HydrophobicContact CE1-CE1 4.19Å; F35-Y92 AromaticContact CE2-CD1 3.94Å; F35-Y92 HydrophobicContact CE2-CD1 3.94Å; F35-Y92 HydrophobicContact CE2-CE1 4.27Å; F35-Y92 AromaticContact CZ-CD1 3.61Å; F35-Y92 HydrophobicContact CZ-CD1 3.61Å; F35-Y92 HydrophobicContact CZ-CE1 4.08Å; I58-Y92 HydrophobicContact CB-CD1 4.15Å; I58-Y92 HydrophobicContact CB-CD2 4.14Å; I58-Y92 HydrophobicContact CB-CG 3.92Å; I58-Y92 HydrophobicContact CG2-CD1 3.56Å; I58-Y92 HydrophobicContact CG2-CD2 4.42Å; I58-Y92 HydrophobicContact CG2-CE1 4.15Å; I58-Y92 HydrophobicContact CG2-CG 3.72Å; R88-Y92 WeakPolarHBondContact O-CB 3.45Å; R88-Y92 PolarHBondContact O-N 3.49Å; I89-Y92 WeakPolarHBondContact O-CB 3.47Å; I89-Y92 PolarHBondContact O-N 3.31Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 2.96Å; Y92-Y94 VanDerWaalsContact C-N 3.35Å; Y92-Y94 PolarHBondContact O-N 2.88Å; Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 3.37Å; Y92-S95 PolarHBondContact O-N 2.99Å; Y92-S95 VanDerWaalsContact O-N 3.1Å; Y92-S95 PolarHBondContact O-OG 3.02Å; Y92-E97 HydrophobicContact CE2-CB 4.14Å; Y92-E97 VanDerWaalsContact CE2-OE2 3.29Å; Y92-E97 WeakPolarHBondContact CE2-OE2 3.39Å; Y92-E97 PolarHBondContact OH-OE2 2.93Å
93V95.4Very high93.5Very high0 Ų053.6 Ų53.60%025%0.249CC..Hα-helixtrans-58.6-43.1175.5169.80000111.9I14 I21 A23 F35 I89 W90 S95 Q98 L99I14-V93 HydrophobicContact CD1-CG1 4.23Å; I14-V93 HydrophobicContact CG1-CG1 4.46Å; I21-V93 HydrophobicContact CD1-CG2 4.05Å; A23-V93 HydrophobicContact CB-CG1 3.64Å; F35-V93 HydrophobicContact CE1-CG2 3.91Å; F35-V93 HydrophobicContact CZ-CG2 3.67Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 3.05Å; W90-V93 WeakPolarHBondContact O-CB 3.32Å; W90-V93 PolarHBondContact O-N 3.47Å; W90-V93 VanDerWaalsContact O-N 3.16Å; V93-S95 VanDerWaalsContact C-N 3.33Å; V93-Q98 WeakPolarHBondContact O-CB 3.31Å; V93-L99 HydrophobicContact CG1-CD1 3.53Å; V93-L99 HydrophobicContact CG1-CG 4.32Å; V93-L99 VanDerWaalsContact O-CB 3.31Å; V93-L99 WeakPolarHBondContact O-CB 3.4Å; V93-L99 WeakPolarHBondContact O-CD1 3.07Å; V93-L99 WeakPolarHBondContact O-CG 3.39Å; V93-L99 PolarHBondContact O-N 3.42Å; V93-L99 VanDerWaalsContact O-N 3.16Å
94Y94.9Very high93.3Very high16 Ų1656.7 Ų56.76%0.06327%0.266CS..Hα-helixtrans-79.7-13.7176.2-75.3-72.2000114V12 I14 W90 Q91 Y92 L99 V108 F128 F132V12-Y94 HydrophobicContact CG1-CE1 4.34Å; V12-Y94 HydrophobicContact CG2-CE1 4.22Å; I14-Y94 HydrophobicContact CD1-CE2 3.97Å; W90-Y94 WeakPolarHBondContact O-CD2 3.48Å; W90-Y94 PolarHBondContact O-N 3.2Å; W90-Y94 VanDerWaalsContact O-N 3.16Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Y92-Y94 VanDerWaalsContact C-N 3.35Å; Y92-Y94 PolarHBondContact O-N 2.88Å; Y94-L99 HydrophobicContact CD1-CD1 4.32Å; Y94-L99 HydrophobicContact CE1-CD1 4.38Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.26Å; Y94-F128 HydrophobicContact CE2-CE1 4.32Å; Y94-F132 HydrophobicContact CD2-CD1 4.39Å; Y94-F132 HydrophobicContact CD2-CE1 4.49Å
95S93.3Very high93.1Very high32 Ų3256.7 Ų56.722%0.22426%0.262CS..SBendtrans-62.6165.5-175.380.60000113.1Q91 Y92 V93 E97 Q98 L99 Q100Q91-S95 WeakPolarHBondContact O-CB 3.28Å; Q91-S95 PolarHBondContact O-N 3.23Å; Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 3.37Å; Y92-S95 PolarHBondContact O-N 2.99Å; Y92-S95 VanDerWaalsContact O-N 3.1Å; Y92-S95 PolarHBondContact O-OG 3.02Å; V93-S95 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 2.66Å; S95-E97 VanDerWaalsContact O-N 3.15Å; S95-E97 PolarHBondContact OG-N 3.08Å; S95-Q98 PolarHBondContact O-N 3.39Å; S95-L99 PolarHBondContact O-N 3.46Å; S95-Q100 PolarHBondContact O-N 3.15Å; S95-Q100 VanDerWaalsContact O-N 3.16Å
96K87.4Confident93Very high180 Ų18057.4 Ų57.478%0.78327%0.266SS*.THydrogen-bonded Turntrans-61.6-19.8175.9-65-174.4179.8-177.80113.8Q98 Q100K96-Q98 VanDerWaalsContact C-N 3.26Å; K96-Q100 WeakPolarHBondContact O-CG 3.41Å; K96-Q100 PolarHBondContact O-NE2 2.78Å
97E83.7Confident92.9Very high97 Ų9757.5 Ų57.545%0.45327%0.266SS..THydrogen-bonded Turntrans-74.1-22.6177.3-60.6-169.1-174.900111.9K61 Y92 S95K61-E97 VanDerWaalsContact NZ-CD 3.33Å; K61-E97 IonicContact NZ-OE1 3.78Å; K61-E97 PolarHBondContact NZ-OE1 3.48Å; K61-E97 IonicContact NZ-OE2 3.77Å; K61-E97 PolarHBondContact NZ-OE2 3.22Å; Y92-E97 HydrophobicContact CE2-CB 4.14Å; Y92-E97 VanDerWaalsContact CE2-OE2 3.29Å; Y92-E97 WeakPolarHBondContact CE2-OE2 3.39Å; Y92-E97 PolarHBondContact OH-OE2 2.93Å; S95-E97 PolarHBondContact O-N 2.66Å; S95-E97 VanDerWaalsContact O-N 3.15Å; S95-E97 PolarHBondContact OG-N 3.08Å
98Q90Very high92.9Very high17 Ų1754.7 Ų54.78%0.07925%0.253CS..THydrogen-bonded Turntrans-121-100.7-173.5-147.776.330.500111.6Y33 F35 V93 S95 K96 Q100Y33-Q98 HydrophobicContact CD1-CG 3.78Å; Y33-Q98 HydrophobicContact CD2-CG 3.91Å; Y33-Q98 HydrophobicContact CE1-CG 4.28Å; Y33-Q98 HydrophobicContact CE2-CG 4.48Å; Y33-Q98 WeakPolarHBondContact CE2-O 3.07Å; Y33-Q98 HydrophobicContact CG-CG 3.51Å; Y33-Q98 PolarHBondContact OH-O 3.38Å; F35-Q98 HydrophobicContact CE1-CG 4.42Å; V93-Q98 WeakPolarHBondContact O-CB 3.31Å; S95-Q98 PolarHBondContact O-N 3.39Å; K96-Q98 VanDerWaalsContact C-N 3.26Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 3.11Å
99L89.6Confident93Very high7 Ų750.5 Ų50.54%0.03724%0.237CC..THydrogen-bonded Turntrans-71.3-22.2-173.9-73.9167.7000114.6V12 F25 Y33 V93 Y94 S95 T101V12-L99 HydrophobicContact CG1-CD1 3.66Å; F25-L99 HydrophobicContact CD2-CD2 4.21Å; F25-L99 HydrophobicContact CE2-CD2 3.69Å; F25-L99 HydrophobicContact CZ-CD2 4.03Å; Y33-L99 HydrophobicContact CD2-CD2 3.67Å; Y33-L99 HydrophobicContact CD2-CG 4.05Å; Y33-L99 HydrophobicContact CE2-CD2 3.68Å; Y33-L99 HydrophobicContact CE2-CG 4.15Å; V93-L99 HydrophobicContact CG1-CD1 3.53Å; V93-L99 HydrophobicContact CG1-CG 4.32Å; V93-L99 VanDerWaalsContact O-CB 3.31Å; V93-L99 WeakPolarHBondContact O-CB 3.4Å; V93-L99 WeakPolarHBondContact O-CD1 3.07Å; V93-L99 WeakPolarHBondContact O-CG 3.39Å; V93-L99 PolarHBondContact O-N 3.42Å; V93-L99 VanDerWaalsContact O-N 3.16Å; Y94-L99 HydrophobicContact CD1-CD1 4.32Å; Y94-L99 HydrophobicContact CE1-CD1 4.38Å; S95-L99 PolarHBondContact O-N 3.46Å; L99-T101 PolarHBondContact O-N 3.43Å
100Q92.1Very high93.1Very high139 Ų13950.7 Ų50.765%0.6524%0.238SC*.  trans57.433.2-177.9-61.6176.112.700114S95 K96 Q98S95-Q100 PolarHBondContact O-N 3.15Å; S95-Q100 VanDerWaalsContact O-N 3.16Å; K96-Q100 WeakPolarHBondContact O-CG 3.41Å; K96-Q100 PolarHBondContact O-NE2 2.78Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 3.11Å
101T91.8Very high93Very high29 Ų2950.6 Ų50.618%0.17824%0.238CC..SBendtrans-133.7158.8-178.753.30000112.3F25 L99F25-T101 HydrophobicContact CE1-CG2 4.21Å; F25-T101 HydrophobicContact CZ-CG2 3.63Å; L99-T101 PolarHBondContact O-N 3.43Å
102F92.7Very high92.9Very high143 Ų14345.7 Ų45.763%0.62722%0.215SC*.  trans-87.3135.3175.3-60.8-75.2000110.3E104 E105 H106F102-E104 PolarHBondContact O-N 3.43Å; F102-E105 HydrophobicContact CB-CG 4.26Å; F102-E105 PolarHBondContact O-N 2.83Å; F102-H106 PolarHBondContact O-CD2 2.76Å
103S93.4Very high92.8Very high17 Ų1744.3 Ų44.312%0.11921%0.21CC..THydrogen-bonded Turntrans-63.6-25.3177.750.90000113.2E105 F132S103-E105 VanDerWaalsContact C-N 3.27Å; S103-E105 PolarHBondContact O-N 3.16Å; S103-F132 WeakPolarHBondContact CB-O 3.37Å; S103-F132 PolarHBondContact OG-O 3.43Å
104E92.8Very high92.6Very high116 Ų11644.5 Ų44.554%0.54221%0.211SC..THydrogen-bonded Turntrans-70.9-21.7-178.2-50.6-167.815200113.2F102 N133 P135F102-E104 PolarHBondContact O-N 3.43Å; E104-N133 HydrophobicContact CG-CB 3.78Å; E104-N133 WeakPolarHBondContact OE1-CB 3.28Å; E104-N133 PolarHBondContact OE1-ND2 3.3Å; E104-N133 VanDerWaalsContact OE1-ND2 3.09Å; E104-P135 WeakPolarHBondContact O-CD 3.41Å
105E91.6Very high92.3Very high97 Ų9748.7 Ų48.745%0.45323%0.234SC..THydrogen-bonded Turntrans-91-21.3-173.7-68.4-178.3-174.400113.1N9 F102 S103N9-E105 WeakPolarHBondContact CB-O 3.25Å; N9-E105 PolarHBondContact ND2-O 2.68Å; N9-E105 VanDerWaalsContact ND2-O 3.15Å; F102-E105 HydrophobicContact CB-CG 4.26Å; F102-E105 PolarHBondContact O-N 2.83Å; S103-E105 VanDerWaalsContact C-N 3.27Å; S103-E105 PolarHBondContact O-N 3.16Å
106H93.4Very high92.1Very high17 Ų1748.2 Ų48.28%0.07923%0.229CC..SBendtrans-122132.9-167.3-64.3-88.1000112.6Q10 V12 F25 F102 P135Q10-H106 PolarHBondContact O-ND1 3.01Å; V12-H106 HydrophobicContact CG2-CB 3.83Å; F25-H106 AromaticContact CE1-CE1 3.91Å; F102-H106 PolarHBondContact O-CD2 2.76Å; H106-P135 VanDerWaalsContact O-CD 3.31Å; H106-P135 WeakPolarHBondContact O-CD 3.32Å
107P95.2Very high92.3Very high1 Ų142.5 Ų42.51%0.00621%0.21CC..  trans-60.9151.1166.1-1931000111.5A8 N9 P11 V12 A136 W357A8-P107 HydrophobicContact CB-CG 3.84Å; N9-P107 VanDerWaalsContact O-CD 3.26Å; N9-P107 WeakPolarHBondContact O-CD 3.31Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.25Å; P11-P107 HydrophobicContact CB-CB 4.19Å; P11-P107 HydrophobicContact CG-CB 4.29Å; P11-P107 HydrophobicContact CG-CG 4.36Å; V12-P107 PolarHBondContact N-O 2.84Å; P107-A136 WeakPolarHBondContact CA-O 3.31Å; P107-A136 HydrophobicContact CB-CB 4.26Å; P107-W357 HydrophobicContact CB-CE3 4.1Å; P107-W357 HydrophobicContact CB-CH2 4.49Å; P107-W357 HydrophobicContact CB-CZ3 3.94Å; P107-W357 HydrophobicContact CG-CH2 4.1Å; P107-W357 HydrophobicContact CG-CZ3 3.98Å
108V96.3Very high92.7Very high1 Ų140.7 Ų40.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-120.1128.6-176.8-173.40000111.4V12 I14 Y94 F128 V134 A136 L137 F138V12-V108 CarbonylContact O-C 3.32Å; V12-V108 WeakPolarHBondContact O-CA 3.03Å; I14-V108 HydrophobicContact CD1-CG1 4.09Å; I14-V108 HydrophobicContact CG1-CG1 4.38Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.26Å; V108-F128 HydrophobicContact CG1-CD1 4.43Å; V108-F128 HydrophobicContact CG1-CE1 4.09Å; V108-V134 HydrophobicContact CG2-CB 4.14Å; V108-V134 HydrophobicContact CG2-CG1 3.66Å; V108-A136 PolarHBondContact N-O 2.93Å; V108-L137 HydrophobicContact CB-CD1 3.99Å; V108-L137 HydrophobicContact CG1-CD1 4.16Å; V108-L137 CarbonylContact O-C 3.46Å; V108-L137 WeakPolarHBondContact O-CA 3.39Å; V108-F138 PolarHBondContact O-N 2.88Å
109L97Very high92.8Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-97.4120.5161.2-170.5154.5000108.6V12 V13 I14 T111 F138 L145 L347 A348 F353V12-L109 PolarHBondContact O-N 2.82Å; V13-L109 HydrophobicContact CG1-CD2 4.01Å; V13-L109 HydrophobicContact CG2-CB 4.22Å; I14-L109 PolarHBondContact N-O 3.24Å; L109-T111 HydrophobicContact CD2-CG2 4.12Å; L109-F138 CarbonylContact C-O 3.57Å; L109-F138 WeakPolarHBondContact CA-O 3.32Å; L109-F138 HydrophobicContact CD1-CD1 4.21Å; L109-F138 HydrophobicContact CG-CD1 4.23Å; L109-L145 HydrophobicContact CD2-CD1 4.08Å; L109-L347 HydrophobicContact CD1-CB 4.49Å; L109-L347 HydrophobicContact CD1-CD2 4.23Å; L109-A348 HydrophobicContact CD1-CB 4.04Å; L109-F353 HydrophobicContact CB-CZ 4.02Å; L109-F353 HydrophobicContact CD1-CE2 3.82Å; L109-F353 HydrophobicContact CD1-CZ 4.02Å; L109-F353 HydrophobicContact CG-CE2 4.49Å; L109-F353 HydrophobicContact CG-CZ 4.38Å
110L97Very high93Very high4 Ų448.6 Ų48.62%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-111.4142.6176.9-160.669.5000110I14 N16 A124 F128 L137 F138 I139 S140I14-L110 HydrophobicContact CB-CD1 3.93Å; I14-L110 HydrophobicContact CG2-CD1 4.02Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.28Å; N16-L110 VanDerWaalsContact ND2-CG 3.28Å; N16-L110 WeakPolarHBondContact ND2-CG 3.42Å; L110-A124 HydrophobicContact CD2-CB 4.18Å; L110-F128 HydrophobicContact CD1-CE2 3.68Å; L110-F128 HydrophobicContact CD1-CZ 3.71Å; L110-F128 HydrophobicContact CD2-CD2 4.05Å; L110-F128 HydrophobicContact CD2-CE2 3.58Å; L110-F128 HydrophobicContact CD2-CZ 4.45Å; L110-F128 HydrophobicContact CG-CE2 4.25Å; L110-L137 HydrophobicContact CB-CD1 4.17Å; L110-F138 PolarHBondContact N-O 2.91Å; L110-I139 HydrophobicContact CB-CG1 4.26Å; L110-I139 HydrophobicContact CD2-CG1 4.43Å; L110-I139 CarbonylContact O-C 3.51Å; L110-I139 WeakPolarHBondContact O-CA 2.97Å; L110-S140 PolarHBondContact O-N 3.37Å; L110-S140 PolarHBondContact O-OG 3.22Å
111T95.5Very high93.1Very high1 Ų142.6 Ų42.61%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-103.1148.5172.474.80000111.6I14 D15 N16 L109 S140 L145 T340I14-T111 PolarHBondContact O-N 3.15Å; I14-T111 VanDerWaalsContact O-N 3.15Å; D15-T111 VanDerWaalsContact CA-OG1 3.26Å; D15-T111 WeakPolarHBondContact CA-OG1 3.44Å; D15-T111 HydrophobicContact CB-CG2 4.07Å; D15-T111 WeakPolarHBondContact OD1-CB 3.45Å; D15-T111 PolarHBondContact OD1-OG1 2.89Å; N16-T111 PolarHBondContact N-OG1 2.81Å; N16-T111 PolarHBondContact ND2-O 3.34Å; L109-T111 HydrophobicContact CD2-CG2 4.12Å; T111-S140 WeakPolarHBondContact CA-O 3.36Å; T111-L145 HydrophobicContact CG2-CD1 3.55Å; T111-T340 HydrophobicContact CG2-CG2 4.24Å
112E93.6Very high93.2Very high17 Ų1744.3 Ų44.38%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-136.7156.616966.9173.9-17600112N116 R121 I139 S140 Q142E112-N116 PolarHBondContact OE2-ND2 2.88Å; E112-R121 IonicContact OE1-CZ 3.55Å; E112-R121 IonicContact OE1-NE 3.93Å; E112-R121 PolarHBondContact OE1-NE 3.26Å; E112-R121 IonicContact OE1-NH2 2.77Å; E112-R121 PolarHBondContact OE1-NH2 3.3Å; E112-R121 IonicContact OE2-NE 3.66Å; E112-R121 PolarHBondContact OE2-NE 2.93Å; E112-R121 IonicContact OE2-NH2 2.8Å; E112-I139 HydrophobicContact CB-CG2 4.23Å; E112-I139 HydrophobicContact CG-CG2 3.67Å; E112-S140 PolarHBondContact N-O 2.95Å; E112-Q142 WeakPolarHBondContact O-CG 3.45Å; E112-Q142 PolarHBondContact O-N 3.45Å
113A92.3Very high93.4Very high0 Ų040.9 Ų40.90%021%0.206CC..  trans-67149.6172.100000110.6N116 V164A113-N116 WeakPolarHBondContact O-CB 3.04Å; A113-N116 PolarHBondContact O-N 3.15Å; A113-V164 HydrophobicContact CB-CG1 4.29Å
114P90.7Very high93.5Very high3 Ų340.5 Ų40.52%0.01920%0.203CC..THydrogen-bonded Turntrans-62.5151.2173.426.7-34.1000111.7N116 M141 H166 V168 I180P114-N116 PolarHBondContact O-N 3.25Å; P114-M141 HydrophobicContact CB-CG 4.08Å; P114-M141 HydrophobicContact CB-SD 3.85Å; P114-H166 HydrophobicContact CG-CB 3.56Å; P114-H166 WeakPolarHBondContact CG-CD2 3.45Å; P114-V168 HydrophobicContact CB-CG2 4.16Å; P114-V168 HydrophobicContact CG-CG2 4.09Å; P114-I180 HydrophobicContact CB-CG2 4.01Å; P114-I180 HydrophobicContact CG-CG2 4.46Å
115L88.9Confident93.6Very high105 Ų10535 Ų3555%0.5518%0.178SC..THydrogen-bonded Turntrans57.528.1-179-51.5175.7000113.4I180 R182L115-I180 HydrophobicContact CD1-CB 4.45Å; L115-I180 HydrophobicContact CD1-CG2 3.9Å; L115-I180 HydrophobicContact CG-CG2 4.01Å; L115-R182 HydrophobicContact CD1-CB 4.35Å
116N89.4Confident93.8Very high22 Ų2233.4 Ų33.412%0.11817%0.17CC..  trans-66.5140.6172-168.536.1000110.5E112 A113 P114 S118E112-N116 PolarHBondContact OE2-ND2 2.88Å; A113-N116 WeakPolarHBondContact O-CB 3.04Å; A113-N116 PolarHBondContact O-N 3.15Å; P114-N116 PolarHBondContact O-N 3.25Å; N116-S118 PolarHBondContact O-N 3.05Å
117P91.4Very high94Very high59 Ų5932.8 Ų32.838%0.38317%0.168SC..  trans-56.1135.7177.7-28.136.9000112.4K119 N120 R121P117-K119 PolarHBondContact O-N 2.73Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 2.89Å; P117-R121 PolarHBondContact O-N 3.12Å
118S91.4Very high94Very high60 Ų6032.8 Ų32.842%0.4217%0.167SC..Hα-helixtrans-56.2-36.8178.954.50000112.6N116 N120 R121 E122N116-S118 PolarHBondContact O-N 3.05Å; S118-N120 VanDerWaalsContact C-N 3.28Å; S118-N120 PolarHBondContact O-N 2.92Å; S118-R121 WeakPolarHBondContact O-CB 3.36Å; S118-R121 PolarHBondContact O-N 2.87Å; S118-E122 WeakPolarHBondContact O-CG 3.41Å; S118-E122 PolarHBondContact O-N 2.89Å
119K93.5Very high94Very high161 Ų16132.8 Ų32.870%0.717%0.167SC*.Hα-helixtrans-58.3-37.8175.2-67.7-175177.7-177.80113P117 E122 K123P117-K119 PolarHBondContact O-N 2.73Å; K119-E122 PolarHBondContact O-N 3.27Å; K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.98Å
120N93.8Very high93.9Very high28 Ų2837.1 Ų37.115%0.1519%0.188CC..Hα-helixtrans-71.8-38.8178.7-73.813.1000110.8I79 W83 P117 S118 E122 K123 A124I79-N120 VanDerWaalsContact CG2-ND2 3.25Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.27Å; W83-N120 HydrophobicContact CH2-CB 4.22Å; W83-N120 WeakPolarHBondContact CH2-O 3.43Å; W83-N120 HydrophobicContact CZ2-CB 3.88Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 2.89Å; S118-N120 VanDerWaalsContact C-N 3.28Å; S118-N120 PolarHBondContact O-N 2.92Å; N120-E122 VanDerWaalsContact C-N 3.33Å; N120-K123 PolarHBondContact O-N 3.28Å; N120-A124 WeakPolarHBondContact O-CB 3.38Å; N120-A124 PolarHBondContact O-N 3.45Å
121R93.8Very high93.9Very high14 Ų1440.4 Ų40.45%0.05321%0.208CC..Hα-helixtrans-60.7-44.6173.1-169.6-174.4-60.1118.16.9111.5E112 P117 S118 A124 A125 I139 I371 H372E112-R121 IonicContact OE1-CZ 3.55Å; E112-R121 IonicContact OE1-NE 3.93Å; E112-R121 PolarHBondContact OE1-NE 3.26Å; E112-R121 IonicContact OE1-NH2 2.77Å; E112-R121 PolarHBondContact OE1-NH2 3.3Å; E112-R121 IonicContact OE2-NE 3.66Å; E112-R121 PolarHBondContact OE2-NE 2.93Å; E112-R121 IonicContact OE2-NH2 2.8Å; P117-R121 PolarHBondContact O-N 3.12Å; S118-R121 WeakPolarHBondContact O-CB 3.36Å; S118-R121 PolarHBondContact O-N 2.87Å; R121-A124 PolarHBondContact O-N 3.29Å; R121-A125 PolarHBondContact O-N 2.93Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.38Å; R121-I371 HydrophobicContact CG-CG2 3.96Å; R121-H372 PolarHBondContact NH1-ND1 2.74Å
122E94.6Very high93.9Very high65 Ų6541.1 Ų41.130%0.30421%0.211SC..Hα-helixtrans-61.6-45.4175.8-70.8170.6-157.800111.8S118 K119 N120 A124 A125 E126 A368 H372S118-E122 WeakPolarHBondContact O-CG 3.41Å; S118-E122 PolarHBondContact O-N 2.89Å; K119-E122 PolarHBondContact O-N 3.27Å; N120-E122 VanDerWaalsContact C-N 3.33Å; E122-A124 PolarHBondContact O-N 3.11Å; E122-A125 PolarHBondContact O-N 3.38Å; E122-E126 WeakPolarHBondContact O-CB 3.49Å; E122-E126 PolarHBondContact O-N 2.87Å; E122-A368 HydrophobicContact CG-CB 3.67Å; E122-H372 IonicContact OE1-CD2 2.65Å; E122-H372 IonicContact OE1-CE1 3.14Å; E122-H372 IonicContact OE1-NE2 3.32Å; E122-H372 PolarHBondContact OE1-NE2 3.21Å
123K95.4Very high93.9Very high71 Ų7143 Ų4331%0.30922%0.221SC..Hα-helixtrans-66.4-38.1179.6-171.857.7176.8178.80112.6W83 K119 N120 E126 I127W83-K123 HydrophobicContact CD2-CB 4.44Å; W83-K123 HydrophobicContact CD2-CG 3.67Å; W83-K123 HydrophobicContact CE3-CG 3.86Å; W83-K123 HydrophobicContact CG-CG 4.22Å; W83-K123 HydrophobicContact CH2-CB 3.9Å; W83-K123 HydrophobicContact CH2-CG 4.14Å; W83-K123 HydrophobicContact CZ2-CB 3.83Å; W83-K123 HydrophobicContact CZ2-CG 3.98Å; W83-K123 HydrophobicContact CZ3-CB 4.23Å; W83-K123 HydrophobicContact CZ3-CG 4.07Å; K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.98Å; N120-K123 PolarHBondContact O-N 3.28Å; K123-E126 VanDerWaalsContact CD-OE2 3.25Å; K123-E126 WeakPolarHBondContact CD-OE2 3.48Å; K123-E126 VanDerWaalsContact NZ-CD 3.26Å; K123-E126 IonicContact NZ-OE1 3.97Å; K123-E126 PolarHBondContact NZ-OE1 2.99Å; K123-E126 IonicContact NZ-OE2 3.54Å; K123-E126 PolarHBondContact NZ-OE2 2.74Å; K123-E126 PolarHBondContact O-N 3.03Å; K123-I127 HydrophobicContact CG-CD1 4.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.35Å; K123-I127 PolarHBondContact O-N 3Å
124A95.4Very high94.1Very high9 Ų943 Ų437%0.07422%0.221CC..Hα-helixtrans-60.9-47171.900000110.7W83 W90 L110 N120 R121 E122 E126 I127 F128W83-A124 HydrophobicContact CH2-CB 4.18Å; W83-A124 HydrophobicContact CZ3-CB 4.1Å; W90-A124 HydrophobicContact CH2-CB 4.26Å; L110-A124 HydrophobicContact CD2-CB 4.18Å; N120-A124 WeakPolarHBondContact O-CB 3.38Å; N120-A124 PolarHBondContact O-N 3.45Å; R121-A124 PolarHBondContact O-N 3.29Å; E122-A124 PolarHBondContact O-N 3.11Å; A124-E126 PolarHBondContact O-N 2.65Å; A124-I127 PolarHBondContact O-N 2.89Å; A124-F128 VanDerWaalsContact O-CD2 3.27Å; A124-F128 WeakPolarHBondContact O-CD2 3.41Å; A124-F128 PolarHBondContact O-N 3.05Å
125A95.4Very high94.3Very high0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-61.6-42.6177.400000112.7R121 E122 I127 F128 F129 L137 Y363 I371R121-A125 PolarHBondContact O-N 2.93Å; E122-A125 PolarHBondContact O-N 3.38Å; A125-I127 PolarHBondContact O-N 2.83Å; A125-F128 PolarHBondContact O-N 3.14Å; A125-F129 HydrophobicContact CB-CD2 4.37Å; A125-F129 VanDerWaalsContact O-CD2 3.24Å; A125-F129 WeakPolarHBondContact O-CD2 3.1Å; A125-F129 PolarHBondContact O-N 3.46Å; A125-L137 HydrophobicContact CB-CD2 3.83Å; A125-Y363 HydrophobicContact CB-CE2 4.24Å; A125-I371 HydrophobicContact CB-CD1 3.93Å; A125-I371 HydrophobicContact CB-CG1 3.97Å
126E95.6Very high94.6Very high63 Ų6339.5 Ų39.529%0.29421%0.205SC..Hα-helixtrans-55.4-50174.3-173.4-165.5139.700111.2E122 K123 A124 F128 F129 E130 Y363E122-E126 WeakPolarHBondContact O-CB 3.49Å; E122-E126 PolarHBondContact O-N 2.87Å; K123-E126 VanDerWaalsContact CD-OE2 3.25Å; K123-E126 WeakPolarHBondContact CD-OE2 3.48Å; K123-E126 VanDerWaalsContact NZ-CD 3.26Å; K123-E126 IonicContact NZ-OE1 3.97Å; K123-E126 PolarHBondContact NZ-OE1 2.99Å; K123-E126 IonicContact NZ-OE2 3.54Å; K123-E126 PolarHBondContact NZ-OE2 2.74Å; K123-E126 PolarHBondContact O-N 3.03Å; A124-E126 PolarHBondContact O-N 2.65Å; E126-F128 PolarHBondContact O-N 3.1Å; E126-F129 PolarHBondContact O-N 3.4Å; E126-E130 HydrophobicContact CG-CG 4.26Å; E126-E130 VanDerWaalsContact O-CB 3.23Å; E126-E130 WeakPolarHBondContact O-CB 3.43Å; E126-E130 WeakPolarHBondContact O-CG 3.49Å; E126-E130 PolarHBondContact O-N 3.16Å; E126-Y363 WeakPolarHBondContact CA-OH 3.33Å
127I96.9Very high94.8Very high5 Ų538.5 Ų38.53%0.02620%0.2CC..Iπ-helixtrans-61.2-45.4179-68.8165.2000111.1W83 E87 W90 K123 A124 A125 T131 F132W83-I127 HydrophobicContact CD2-CD1 4.31Å; W83-I127 HydrophobicContact CE3-CD1 3.44Å; W83-I127 VanDerWaalsContact CE3-CD1 3.44Å; W83-I127 HydrophobicContact CZ3-CD1 4.01Å; E87-I127 HydrophobicContact CG-CG2 4.06Å; W90-I127 HydrophobicContact CE3-CG2 3.91Å; W90-I127 HydrophobicContact CZ3-CB 4.26Å; W90-I127 HydrophobicContact CZ3-CD1 4.05Å; W90-I127 HydrophobicContact CZ3-CG2 3.86Å; K123-I127 HydrophobicContact CG-CD1 4.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.35Å; K123-I127 PolarHBondContact O-N 3Å; A124-I127 PolarHBondContact O-N 2.89Å; A125-I127 PolarHBondContact O-N 2.83Å; I127-T131 WeakPolarHBondContact O-CA 3.33Å; I127-T131 VanDerWaalsContact O-CB 3.22Å; I127-T131 WeakPolarHBondContact O-CB 3.18Å; I127-T131 PolarHBondContact O-N 3.1Å; I127-F132 HydrophobicContact CG2-CD2 3.75Å; I127-F132 HydrophobicContact CG2-CE2 3.54Å; I127-F132 WeakPolarHBondContact O-CD2 3.11Å; I127-F132 PolarHBondContact O-N 2.69Å
128F96.6Very high95Very high0 Ų036.8 Ų36.80%019%0.186CC..Iπ-helixtrans-66.4-41.1-179.7-84.7-75000113.1I14 W90 Y94 V108 L110 A124 A125 E126 F132 N133 V134 L137I14-F128 HydrophobicContact CD1-CE1 4.17Å; I14-F128 HydrophobicContact CD1-CZ 4.2Å; W90-F128 AromaticContact CD2-CE2 3.87Å; W90-F128 HydrophobicContact CD2-CE2 3.87Å; W90-F128 AromaticContact CD2-CZ 3.76Å; W90-F128 HydrophobicContact CD2-CZ 3.76Å; W90-F128 AromaticContact CE2-CE2 3.87Å; W90-F128 AromaticContact CE2-CZ 3.93Å; W90-F128 AromaticContact CE3-CE2 3.92Å; W90-F128 HydrophobicContact CE3-CE2 3.92Å; W90-F128 HydrophobicContact CE3-CZ 4.14Å; W90-F128 AromaticContact CG-CZ 3.94Å; W90-F128 HydrophobicContact CG-CZ 3.94Å; W90-F128 AromaticContact CH2-CE2 3.96Å; W90-F128 HydrophobicContact CH2-CE2 3.96Å; W90-F128 AromaticContact CZ2-CE2 3.93Å; W90-F128 HydrophobicContact CZ2-CE2 3.93Å; W90-F128 HydrophobicContact CZ2-CZ 4.44Å; W90-F128 AromaticContact CZ3-CE2 3.96Å; W90-F128 HydrophobicContact CZ3-CE2 3.96Å; Y94-F128 HydrophobicContact CE2-CE1 4.32Å; V108-F128 HydrophobicContact CG1-CD1 4.43Å; V108-F128 HydrophobicContact CG1-CE1 4.09Å; L110-F128 HydrophobicContact CD1-CE2 3.68Å; L110-F128 HydrophobicContact CD1-CZ 3.71Å; L110-F128 HydrophobicContact CD2-CD2 4.05Å; L110-F128 HydrophobicContact CD2-CE2 3.58Å; L110-F128 HydrophobicContact CD2-CZ 4.45Å; L110-F128 HydrophobicContact CG-CE2 4.25Å; A124-F128 VanDerWaalsContact O-CD2 3.27Å; A124-F128 WeakPolarHBondContact O-CD2 3.41Å; A124-F128 PolarHBondContact O-N 3.05Å; A125-F128 PolarHBondContact O-N 3.14Å; E126-F128 PolarHBondContact O-N 3.1Å; F128-F132 HydrophobicContact CD1-CB 4.49Å; F128-F132 HydrophobicContact CD1-CD2 4.23Å; F128-F132 CarbonylContact O-C 3.19Å; F128-F132 WeakPolarHBondContact O-CB 3.36Å; F128-N133 PolarHBondContact O-N 3.16Å; F128-N133 VanDerWaalsContact O-N 3.16Å; F128-V134 HydrophobicContact CB-CG1 4.42Å; F128-V134 HydrophobicContact CB-CG2 4.01Å; F128-V134 HydrophobicContact CD1-CG1 3.95Å; F128-V134 WeakPolarHBondContact O-CG1 3.43Å; F128-V134 WeakPolarHBondContact O-CG2 3.43Å; F128-V134 PolarHBondContact O-N 3.02Å; F128-L137 HydrophobicContact CB-CD1 4.35Å; F128-L137 HydrophobicContact CB-CD2 4.11Å; F128-L137 HydrophobicContact CD2-CD1 4.4Å; F128-L137 HydrophobicContact CG-CD1 4.25Å
129F95.9Very high95.2Very high2 Ų234.2 Ų34.21%0.00917%0.168CC..Iπ-helixtrans-81.8-39.6-179.1-75.5-61.7000114.1A125 E126 N133 V134 L137 V358 K360 Y363 I371A125-F129 HydrophobicContact CB-CD2 4.37Å; A125-F129 VanDerWaalsContact O-CD2 3.24Å; A125-F129 WeakPolarHBondContact O-CD2 3.1Å; A125-F129 PolarHBondContact O-N 3.46Å; E126-F129 PolarHBondContact O-N 3.4Å; F129-N133 WeakPolarHBondContact O-CA 3.4Å; F129-N133 PolarHBondContact O-OD1 3.39Å; F129-V134 HydrophobicContact CD1-CG2 3.8Å; F129-V134 WeakPolarHBondContact CD1-O 3.46Å; F129-V134 HydrophobicContact CE1-CG2 3.91Å; F129-V134 HydrophobicContact CG-CG2 4.43Å; F129-L137 HydrophobicContact CD2-CD2 4.41Å; F129-L137 HydrophobicContact CE1-CB 4.21Å; F129-L137 HydrophobicContact CE2-CB 3.74Å; F129-L137 HydrophobicContact CE2-CD2 3.92Å; F129-L137 HydrophobicContact CE2-CG 4.49Å; F129-L137 HydrophobicContact CZ-CB 3.47Å; F129-L137 VanDerWaalsContact CZ-CB 3.47Å; F129-V358 HydrophobicContact CZ-CG1 4.35Å; F129-V358 WeakPolarHBondContact CZ-O 3.28Å; F129-K360 HydrophobicContact CD1-CB 3.99Å; F129-K360 HydrophobicContact CD1-CG 4.04Å; F129-K360 HydrophobicContact CE1-CB 4.07Å; F129-Y363 HydrophobicContact CB-CD1 3.63Å; F129-Y363 HydrophobicContact CB-CE1 3.72Å; F129-Y363 HydrophobicContact CB-CG 4.31Å; F129-Y363 HydrophobicContact CD1-CD1 4.48Å; F129-Y363 AromaticContact CD2-CD1 3.59Å; F129-Y363 HydrophobicContact CD2-CD1 3.59Å; F129-Y363 AromaticContact CD2-CD2 3.57Å; F129-Y363 HydrophobicContact CD2-CD2 3.57Å; F129-Y363 AromaticContact CD2-CE1 3.97Å; F129-Y363 HydrophobicContact CD2-CE1 3.97Å; F129-Y363 AromaticContact CD2-CE2 3.93Å; F129-Y363 HydrophobicContact CD2-CE2 3.93Å; F129-Y363 AromaticContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CE2-CD1 4.36Å; F129-Y363 AromaticContact CE2-CD2 3.77Å; F129-Y363 HydrophobicContact CE2-CD2 3.77Å; F129-Y363 HydrophobicContact CE2-CE2 4.44Å; F129-Y363 AromaticContact CE2-CG 3.71Å; F129-Y363 HydrophobicContact CE2-CG 3.71Å; F129-Y363 AromaticContact CG-CD1 3.66Å; F129-Y363 HydrophobicContact CG-CD1 3.66Å; F129-Y363 HydrophobicContact CG-CD2 4.45Å; F129-Y363 HydrophobicContact CG-CE1 4.13Å; F129-Y363 AromaticContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CZ-CG 4.4Å; F129-I371 HydrophobicContact CE2-CD1 4Å
130E95.3Very high95.2Very high91 Ų9127 Ų2743%0.42514%0.138SC..Iπ-helixtrans-91.2-39-173.5-57.9-169.5170.500112.5E126 R367E126-E130 HydrophobicContact CG-CG 4.26Å; E126-E130 VanDerWaalsContact O-CB 3.23Å; E126-E130 WeakPolarHBondContact O-CB 3.43Å; E126-E130 WeakPolarHBondContact O-CG 3.49Å; E126-E130 PolarHBondContact O-N 3.16Å; E130-R367 IonicContact OE1-CZ 3.7Å; E130-R367 IonicContact OE1-NH1 2.7Å; E130-R367 PolarHBondContact OE1-NH1 2.76Å
131T95.9Very high95.2Very high73 Ų7327.1 Ų27.145%0.44814%0.138SC..Iπ-helixtrans-92.5-48.2-178.2-49.70000111.9E87 I127E87-T131 WeakPolarHBondContact OE1-CG2 3.18Å; I127-T131 WeakPolarHBondContact O-CA 3.33Å; I127-T131 VanDerWaalsContact O-CB 3.22Å; I127-T131 WeakPolarHBondContact O-CB 3.18Å; I127-T131 PolarHBondContact O-N 3.1Å
132F95.1Very high95.2Very high16 Ų1627.2 Ų27.27%0.0714%0.139CC..SBendtrans-87.9-7.4-179.6-69.1-72.7000114.1E87 W90 Q91 Y94 S103 I127 F128 V134E87-F132 HydrophobicContact CG-CE2 4.15Å; E87-F132 HydrophobicContact CG-CZ 4.22Å; W90-F132 HydrophobicContact CB-CE2 3.89Å; W90-F132 HydrophobicContact CB-CZ 3.71Å; W90-F132 HydrophobicContact CE3-CE2 4.22Å; Q91-F132 HydrophobicContact CB-CE1 4.08Å; Q91-F132 HydrophobicContact CB-CZ 4.17Å; Y94-F132 HydrophobicContact CD2-CD1 4.39Å; Y94-F132 HydrophobicContact CD2-CE1 4.49Å; S103-F132 WeakPolarHBondContact CB-O 3.37Å; S103-F132 PolarHBondContact OG-O 3.43Å; I127-F132 HydrophobicContact CG2-CD2 3.75Å; I127-F132 HydrophobicContact CG2-CE2 3.54Å; I127-F132 WeakPolarHBondContact O-CD2 3.11Å; I127-F132 PolarHBondContact O-N 2.69Å; F128-F132 HydrophobicContact CD1-CB 4.49Å; F128-F132 HydrophobicContact CD1-CD2 4.23Å; F128-F132 CarbonylContact O-C 3.19Å; F128-F132 WeakPolarHBondContact O-CB 3.36Å; F132-V134 HydrophobicContact CB-CG1 4.06Å; F132-V134 PolarHBondContact O-N 3.16Å
133N95.4Very high95.1Very high56 Ų5624.1 Ų24.130%0.29912%0.124SC..  trans53.734.6177.6-80-32.3000114.6E104 F128 F129 K360E104-N133 HydrophobicContact CG-CB 3.78Å; E104-N133 WeakPolarHBondContact OE1-CB 3.28Å; E104-N133 PolarHBondContact OE1-ND2 3.3Å; E104-N133 VanDerWaalsContact OE1-ND2 3.09Å; F128-N133 PolarHBondContact O-N 3.16Å; F128-N133 VanDerWaalsContact O-N 3.16Å; F129-N133 WeakPolarHBondContact O-CA 3.4Å; F129-N133 PolarHBondContact O-OD1 3.39Å; N133-K360 PolarHBondContact OD1-NZ 3.14Å
134V95.6Very high95Very high0 Ų021.9 Ų21.90%012%0.116CC..  trans-63.8144-176.5-56.80000112V108 F128 F129 F132 L137V108-V134 HydrophobicContact CG2-CB 4.14Å; V108-V134 HydrophobicContact CG2-CG1 3.66Å; F128-V134 HydrophobicContact CB-CG1 4.42Å; F128-V134 HydrophobicContact CB-CG2 4.01Å; F128-V134 HydrophobicContact CD1-CG1 3.95Å; F128-V134 WeakPolarHBondContact O-CG1 3.43Å; F128-V134 WeakPolarHBondContact O-CG2 3.43Å; F128-V134 PolarHBondContact O-N 3.02Å; F129-V134 HydrophobicContact CD1-CG2 3.8Å; F129-V134 WeakPolarHBondContact CD1-O 3.46Å; F129-V134 HydrophobicContact CE1-CG2 3.91Å; F129-V134 HydrophobicContact CG-CG2 4.43Å; F132-V134 HydrophobicContact CB-CG1 4.06Å; F132-V134 PolarHBondContact O-N 3.16Å; V134-L137 HydrophobicContact CG2-CB 4.35Å
135P94.6Very high95Very high34 Ų3421.5 Ų21.522%0.22111%0.113CC..SBendtrans-72.1-33.6-179.127.3-33.7000112.4E104 H106 K360E104-P135 WeakPolarHBondContact O-CD 3.41Å; H106-P135 VanDerWaalsContact O-CD 3.31Å; H106-P135 WeakPolarHBondContact O-CD 3.32Å; P135-K360 PolarHBondContact O-N 3.08Å
136A94.6Very high94.9Very high1 Ų121.5 Ų21.51%0.00811%0.113CC..EExtended strand (participates in β ladder)trans-154.9149.9176.700000111.5P107 V108 W357 V358P107-A136 WeakPolarHBondContact CA-O 3.31Å; P107-A136 HydrophobicContact CB-CB 4.26Å; V108-A136 PolarHBondContact N-O 2.93Å; A136-W357 HydrophobicContact CB-CB 4.15Å; A136-W357 HydrophobicContact CB-CD2 3.93Å; A136-W357 HydrophobicContact CB-CG 3.7Å; A136-V358 CarbonylContact C-O 3.52Å; A136-V358 WeakPolarHBondContact CA-O 3.49Å; A136-V358 WeakPolarHBondContact CB-O 3.38Å
137L95.4Very high94.9Very high1 Ų118.6 Ų18.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-132.6136.6-179.1-178.966.6000110.6V108 L110 A125 F128 F129 V134 I139 V358V108-L137 HydrophobicContact CB-CD1 3.99Å; V108-L137 HydrophobicContact CG1-CD1 4.16Å; V108-L137 CarbonylContact O-C 3.46Å; V108-L137 WeakPolarHBondContact O-CA 3.39Å; L110-L137 HydrophobicContact CB-CD1 4.17Å; A125-L137 HydrophobicContact CB-CD2 3.83Å; F128-L137 HydrophobicContact CB-CD1 4.35Å; F128-L137 HydrophobicContact CB-CD2 4.11Å; F128-L137 HydrophobicContact CD2-CD1 4.4Å; F128-L137 HydrophobicContact CG-CD1 4.25Å; F129-L137 HydrophobicContact CD2-CD2 4.41Å; F129-L137 HydrophobicContact CE1-CB 4.21Å; F129-L137 HydrophobicContact CE2-CB 3.74Å; F129-L137 HydrophobicContact CE2-CD2 3.92Å; F129-L137 HydrophobicContact CE2-CG 4.49Å; F129-L137 HydrophobicContact CZ-CB 3.47Å; F129-L137 VanDerWaalsContact CZ-CB 3.47Å; V134-L137 HydrophobicContact CG2-CB 4.35Å; L137-I139 HydrophobicContact CD2-CD1 4.19Å; L137-I139 HydrophobicContact CD2-CG1 4.25Å; L137-I139 HydrophobicContact CG-CG1 4.22Å; L137-V358 PolarHBondContact N-O 3.15Å; L137-V358 PolarHBondContact O-N 3.47Å
138F95.4Very high94.6Very high23 Ų2322.1 Ų22.110%0.10111%0.113CC..EExtended strand (participates in β ladder)trans-128.7127.3167.7-176.5-112.2000110V108 L109 L110 L347 F353 M356 W357V108-F138 PolarHBondContact O-N 2.88Å; L109-F138 CarbonylContact C-O 3.57Å; L109-F138 WeakPolarHBondContact CA-O 3.32Å; L109-F138 HydrophobicContact CD1-CD1 4.21Å; L109-F138 HydrophobicContact CG-CD1 4.23Å; L110-F138 PolarHBondContact N-O 2.91Å; F138-L347 HydrophobicContact CE1-CD2 3.85Å; F138-F353 HydrophobicContact CB-CE2 3.85Å; F138-F353 HydrophobicContact CB-CZ 3.92Å; F138-F353 AromaticContact CD1-CE2 3.62Å; F138-F353 HydrophobicContact CD1-CE2 3.62Å; F138-F353 HydrophobicContact CD1-CZ 4.4Å; F138-F353 HydrophobicContact CE1-CE2 4.39Å; F138-F353 AromaticContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CZ 4.46Å; F138-M356 HydrophobicContact CD2-CB 4.13Å; F138-M356 VanDerWaalsContact CD2-O 3.32Å; F138-M356 WeakPolarHBondContact CD2-O 3.42Å; F138-M356 HydrophobicContact CE2-CB 3.89Å; F138-M356 HydrophobicContact CZ-CB 4.34Å; F138-W357 HydrophobicContact CB-CB 4.07Å
139I95.3Very high94.4Very high6 Ų623.4 Ų23.43%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-106.8128.4177.2-57.3175.9000108.1L110 E112 R121 L137 I371L110-I139 HydrophobicContact CB-CG1 4.26Å; L110-I139 HydrophobicContact CD2-CG1 4.43Å; L110-I139 CarbonylContact O-C 3.51Å; L110-I139 WeakPolarHBondContact O-CA 2.97Å; E112-I139 HydrophobicContact CB-CG2 4.23Å; E112-I139 HydrophobicContact CG-CG2 3.67Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.38Å; L137-I139 HydrophobicContact CD2-CD1 4.19Å; L137-I139 HydrophobicContact CD2-CG1 4.25Å; L137-I139 HydrophobicContact CG-CG1 4.22Å; I139-I371 HydrophobicContact CD1-CG2 4.25Å
140S93.5Very high94.2Very high9 Ų925.2 Ų25.26%0.06314%0.135CC..EExtended strand (participates in β ladder)trans-132.5153.7-174.461.40000112.7L110 T111 E112 L145L110-S140 PolarHBondContact O-N 3.37Å; L110-S140 PolarHBondContact O-OG 3.22Å; T111-S140 WeakPolarHBondContact CA-O 3.36Å; E112-S140 PolarHBondContact N-O 2.95Å; S140-L145 WeakPolarHBondContact OG-CD1 3.44Å
141M92.7Very high94Very high31 Ų3124.3 Ų24.315%0.15315%0.151CC..EExtended strand (participates in β ladder)trans-80.8131.2179.9-167-171.7-55.200110.7P114 A143 V144 L145 V168 A175 I180P114-M141 HydrophobicContact CB-CG 4.08Å; P114-M141 HydrophobicContact CB-SD 3.85Å; M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 2.84Å; M141-V144 HydrophobicContact CB-CG2 4.15Å; M141-V144 PolarHBondContact O-N 2.84Å; M141-V144 VanDerWaalsContact O-N 3.15Å; M141-V144 HydrophobicContact SD-CG2 4.35Å; M141-L145 PolarHBondContact O-N 2.95Å; M141-V168 HydrophobicContact SD-CG1 3.92Å; M141-V168 HydrophobicContact SD-CG2 4.02Å; M141-A175 HydrophobicContact CE-CB 4.14Å; M141-A175 HydrophobicContact SD-CB 4.33Å; M141-I180 HydrophobicContact CE-CD1 4.1Å; M141-I180 HydrophobicContact SD-CD1 4.3Å
142Q93.5Very high93.8Very high15 Ų1524 Ų247%0.0714%0.141CC..Hα-helixtrans-53.8-45.5-176.7-68.5171.6-20.800113.1N16 E112 V144 L145 S146 T340N16-Q142 PolarHBondContact O-NE2 2.93Å; E112-Q142 WeakPolarHBondContact O-CG 3.45Å; E112-Q142 PolarHBondContact O-N 3.45Å; Q142-V144 PolarHBondContact O-N 3.02Å; Q142-L145 PolarHBondContact O-N 3.05Å; Q142-S146 PolarHBondContact O-N 2.84Å; Q142-T340 HydrophobicContact CB-CG2 3.67Å; Q142-T340 HydrophobicContact CG-CG2 3.79Å
143A93.5Very high93.7Very high0 Ų027 Ų270%016%0.16CC..Hα-helixtrans-60-42.9-18000000113.4M141 L145 S146 L147 V157 V168M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 2.84Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 2.94Å; A143-S146 PolarHBondContact O-N 3.26Å; A143-S146 PolarHBondContact O-OG 2.86Å; A143-L147 PolarHBondContact O-N 2.87Å; A143-L147 VanDerWaalsContact O-N 3.1Å; A143-V157 HydrophobicContact CB-CB 4Å; A143-V157 HydrophobicContact CB-CG1 4.03Å; A143-V168 HydrophobicContact CB-CB 3.55Å; A143-V168 HydrophobicContact CB-CG1 4.02Å; A143-V168 HydrophobicContact CB-CG2 3.71Å
144V93.8Very high93.7Very high24 Ų2426 Ų2615%0.14516%0.156CC..Hα-helixtrans-61.9-45.2-179.7176.10000110.6M141 Q142 S146 L147 Y148 I170 A175M141-V144 HydrophobicContact CB-CG2 4.15Å; M141-V144 PolarHBondContact O-N 2.84Å; M141-V144 VanDerWaalsContact O-N 3.15Å; M141-V144 HydrophobicContact SD-CG2 4.35Å; Q142-V144 PolarHBondContact O-N 3.02Å; V144-S146 PolarHBondContact O-N 2.78Å; V144-L147 PolarHBondContact O-N 2.78Å; V144-Y148 HydrophobicContact CG1-CD2 3.99Å; V144-Y148 HydrophobicContact CG1-CE2 3.42Å; V144-Y148 VanDerWaalsContact CG1-CE2 3.42Å; V144-Y148 WeakPolarHBondContact O-CD2 3.49Å; V144-Y148 PolarHBondContact O-N 3.33Å; V144-Y148 VanDerWaalsContact O-N 3.15Å; V144-I170 HydrophobicContact CB-CD1 4.49Å; V144-I170 HydrophobicContact CG2-CD1 4.11Å; V144-A175 HydrophobicContact CG2-CB 4.05Å
145L94.6Very high93.7Very high1 Ų126 Ų261%0.00516%0.156CC..Hα-helixtrans-61.6-44.1175.8-60.2-175.8000112L109 T111 S140 M141 Q142 A143 L147 Y148 A149 T340 G343 L347L109-L145 HydrophobicContact CD2-CD1 4.08Å; T111-L145 HydrophobicContact CG2-CD1 3.55Å; S140-L145 WeakPolarHBondContact OG-CD1 3.44Å; M141-L145 PolarHBondContact O-N 2.95Å; Q142-L145 PolarHBondContact O-N 3.05Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 2.94Å; L145-L147 PolarHBondContact O-N 3.42Å; L145-Y148 PolarHBondContact O-N 3.18Å; L145-Y148 VanDerWaalsContact O-N 3.14Å; L145-A149 PolarHBondContact O-N 2.96Å; L145-T340 HydrophobicContact CB-CG2 4.33Å; L145-T340 WeakPolarHBondContact CB-O 3.42Å; L145-T340 HydrophobicContact CD1-CG2 4.24Å; L145-T340 WeakPolarHBondContact CD1-O 3.46Å; L145-G343 VanDerWaalsContact O-CA 3.28Å; L145-G343 WeakPolarHBondContact O-CA 3.28Å; L145-L347 HydrophobicContact CD2-CB 4.35Å; L145-L347 HydrophobicContact CD2-CD2 3.65Å
146S94.3Very high93.8Very high1 Ų124.3 Ų24.31%0.00715%0.146CC..Hα-helixtrans-61.5-33.6-179.677.60000112.9Q142 A143 V144 V157Q142-S146 PolarHBondContact O-N 2.84Å; A143-S146 PolarHBondContact O-N 3.26Å; A143-S146 PolarHBondContact O-OG 2.86Å; V144-S146 PolarHBondContact O-N 2.78Å; S146-V157 WeakPolarHBondContact OG-CG1 3.35Å; S146-V157 WeakPolarHBondContact OG-CG2 3.27Å
147L94.1Very high93.9Very high1 Ų124.3 Ų24.31%0.00515%0.145CC..Hα-helixtrans-70.5-43.4175.5-170.266.3000110.9A143 V144 L145 A149 T150 R152 V157 I170 V299A143-L147 PolarHBondContact O-N 2.87Å; A143-L147 VanDerWaalsContact O-N 3.1Å; V144-L147 PolarHBondContact O-N 2.78Å; L145-L147 PolarHBondContact O-N 3.42Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 3.14Å; L147-T150 PolarHBondContact O-N 2.61Å; L147-T150 PolarHBondContact O-OG1 3.04Å; L147-R152 HydrophobicContact CD1-CB 3.82Å; L147-R152 HydrophobicContact CG-CB 4.15Å; L147-R152 WeakPolarHBondContact CG-O 3.26Å; L147-R152 PolarHBondContact O-N 3.36Å; L147-V157 HydrophobicContact CB-CG2 3.93Å; L147-V157 HydrophobicContact CD1-CG2 4.31Å; L147-I170 HydrophobicContact CB-CD1 3.93Å; L147-I170 HydrophobicContact CD2-CB 3.69Å; L147-I170 HydrophobicContact CD2-CD1 3.72Å; L147-I170 HydrophobicContact CD2-CG1 4.29Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.45Å; L147-V299 HydrophobicContact CD1-CG2 3.83Å
148Y91.6Very high94Very high79 Ų7924.2 Ų24.231%0.3115%0.145SC..Hα-helixtrans-59.8-37.1175.4-69.8-35.6000112.9V144 L145 T150 G151 G173 L347V144-Y148 HydrophobicContact CG1-CD2 3.99Å; V144-Y148 HydrophobicContact CG1-CE2 3.42Å; V144-Y148 VanDerWaalsContact CG1-CE2 3.42Å; V144-Y148 WeakPolarHBondContact O-CD2 3.49Å; V144-Y148 PolarHBondContact O-N 3.33Å; V144-Y148 VanDerWaalsContact O-N 3.15Å; L145-Y148 PolarHBondContact O-N 3.18Å; L145-Y148 VanDerWaalsContact O-N 3.14Å; Y148-T150 PolarHBondContact O-N 2.85Å; Y148-T150 VanDerWaalsContact O-N 3.15Å; Y148-G151 PolarHBondContact O-N 3.38Å; Y148-G173 PolarHBondContact OH-O 3.1Å; Y148-L347 HydrophobicContact CE2-CD1 4.48Å
149A93.2Very high94Very high28 Ų2823.5 Ų23.523%0.23114%0.142CC..Hα-helixtrans-59.2-26.6174.500000113.1L145 L147 S339 I342L145-A149 PolarHBondContact O-N 2.96Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 3.14Å; A149-S339 WeakPolarHBondContact CB-O 3.29Å; A149-I342 HydrophobicContact CB-CB 4.18Å; A149-I342 HydrophobicContact CB-CG2 4.04Å
150T91.4Very high94.1Very high40 Ų4023.2 Ų23.225%0.24514%0.141CC..THydrogen-bonded Turntrans-88.1-1.3176.369.60000114.1L147 Y148 R152 V299 P333L147-T150 PolarHBondContact O-N 2.61Å; L147-T150 PolarHBondContact O-OG1 3.04Å; Y148-T150 PolarHBondContact O-N 2.85Å; Y148-T150 VanDerWaalsContact O-N 3.15Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.35Å; T150-V299 HydrophobicContact CG2-CG1 3.89Å; T150-P333 HydrophobicContact CG2-CG 4.27Å
151G90.5Very high94.1Very high72 Ų7223.7 Ų23.774%0.74215%0.147SC*.THydrogen-bonded Turntrans70.822.3-176.900000114Y148Y148-G151 PolarHBondContact O-N 3.38Å
152R92.8Very high94.2Very high67 Ų6723.6 Ų23.625%0.25315%0.147SC..  trans-109.2151.6178.6-61.3-176.3-173149.78.6110.6L147 T150 S331L147-R152 HydrophobicContact CD1-CB 3.82Å; L147-R152 HydrophobicContact CG-CB 4.15Å; L147-R152 WeakPolarHBondContact CG-O 3.26Å; L147-R152 PolarHBondContact O-N 3.36Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.35Å; R152-S331 VanDerWaalsContact NH1-CB 3.29Å; R152-S331 PolarHBondContact NH1-OG 3.26Å; R152-S331 PolarHBondContact NH2-OG 2.99Å
153T91.8Very high94.2Very high77 Ų7723 Ų2347%0.47215%0.145SC..SBendtrans-111.1-21.6176.156.20000112.5E172 G173T153-E172 PolarHBondContact O-N 2.66Å; T153-E172 VanDerWaalsContact O-N 3.16Å; T153-G173 PolarHBondContact O-N 3.32Å
154T95.1Very high94.2Very high35 Ų3523.2 Ų23.222%0.21515%0.146CC..SBendtrans-120.5140.9177.453.50000110.1I170 Y171 E172 T297T154-I170 WeakPolarHBondContact CA-O 3.32Å; T154-Y171 HydrophobicContact CG2-CD2 3.72Å; T154-Y171 HydrophobicContact CG2-CE2 3.95Å; T154-Y171 HydrophobicContact CG2-CG 4.38Å; T154-E172 HydrophobicContact CG2-CG 4.15Å; T154-E172 VanDerWaalsContact CG2-N 3.34Å; T154-T297 WeakPolarHBondContact O-CG2 3.2Å
155G96Very high94.3Very high0 Ų022.1 Ų22.10%014%0.14CC..EExtended strand (participates in β ladder)trans153.1176.617600000113.2I170 T297G155-I170 PolarHBondContact N-O 3Å; G155-I170 PolarHBondContact O-N 3.26Å; G155-I170 VanDerWaalsContact O-O 3.08Å; G155-T297 CarbonylContact C-O 3.59Å; G155-T297 VanDerWaalsContact CA-O 3.25Å; G155-T297 WeakPolarHBondContact CA-O 3.45Å
156V97.2Very high94.4Very high0 Ų022.1 Ų22.10%014%0.14CC..EExtended strand (participates in β ladder)trans-110.1128.7173.8-175.20000108.6V167 P169 L279 I283 L294 T297 I298 V299V156-V167 HydrophobicContact CG1-CG1 3.29Å; V156-P169 HydrophobicContact CG2-CB 4.19Å; V156-L279 HydrophobicContact CB-CD1 4.43Å; V156-L279 HydrophobicContact CG1-CD1 3.58Å; V156-I283 HydrophobicContact CG2-CD1 4.11Å; V156-I283 HydrophobicContact CG2-CG1 3.77Å; V156-L294 HydrophobicContact CG2-CB 3.53Å; V156-L294 HydrophobicContact CG2-CD1 4.21Å; V156-L294 HydrophobicContact CG2-CD2 3.62Å; V156-L294 HydrophobicContact CG2-CG 3.95Å; V156-T297 PolarHBondContact N-O 3.45Å; V156-I298 CarbonylContact O-C 3.19Å; V156-I298 WeakPolarHBondContact O-CA 3.5Å; V156-V299 PolarHBondContact O-N 2.74Å
157V97.1Very high94.5Very high0 Ų022.1 Ų22.10%014%0.139CC..EExtended strand (participates in β ladder)trans-98.4124.3171.51770000108.5A143 S146 L147 D159 V167 V168 I170 V299 C301A143-V157 HydrophobicContact CB-CB 4Å; A143-V157 HydrophobicContact CB-CG1 4.03Å; S146-V157 WeakPolarHBondContact OG-CG1 3.35Å; S146-V157 WeakPolarHBondContact OG-CG2 3.27Å; L147-V157 HydrophobicContact CB-CG2 3.93Å; L147-V157 HydrophobicContact CD1-CG2 4.31Å; V157-D159 HydrophobicContact CG1-CB 4.24Å; V157-V167 VanDerWaalsContact O-CA 3.3Å; V157-V167 WeakPolarHBondContact O-CA 3.27Å; V157-V168 PolarHBondContact N-O 3.45Å; V157-V168 PolarHBondContact O-N 3.1Å; V157-I170 HydrophobicContact CG2-CD1 4.07Å; V157-V299 WeakPolarHBondContact CA-O 3.35Å; V157-V299 HydrophobicContact CG2-CB 4.34Å; V157-C301 HydrophobicContact CG1-CB 4.19Å
158L97.1Very high94.6Very high0 Ų022 Ų220%014%0.139CC..EExtended strand (participates in β ladder)trans-100.2104.1162.2171.965.8000107.3T165 V167 L279 V299 L300 C301 F310 L314L158-T165 HydrophobicContact CD1-CG2 3.77Å; L158-V167 HydrophobicContact CB-CG2 4.44Å; L158-V167 HydrophobicContact CD1-CG2 3.44Å; L158-V167 VanDerWaalsContact CD1-CG2 3.44Å; L158-L279 HydrophobicContact CB-CD1 4.49Å; L158-L279 HydrophobicContact CD2-CD2 4.45Å; L158-V299 PolarHBondContact N-O 2.77Å; L158-L300 HydrophobicContact CB-CD2 4.03Å; L158-L300 HydrophobicContact CD2-CD2 3.85Å; L158-L300 HydrophobicContact CG-CD2 4.3Å; L158-C301 PolarHBondContact O-N 2.92Å; L158-F310 HydrophobicContact CD2-CE1 4.18Å; L158-F310 HydrophobicContact CD2-CZ 4.15Å; L158-L314 HydrophobicContact CD2-CD1 4.33Å; L158-L314 HydrophobicContact CD2-CD2 3.47Å; L158-L314 VanDerWaalsContact CD2-CD2 3.47Å
159D95.8Very high94.9Very high8 Ų818.3 Ų18.34%0.04312%0.124CC..EExtended strand (participates in β ladder)trans-102.5117.5174.9-175.61000109.4V157 T165 H166 C301 G302V157-D159 HydrophobicContact CG1-CB 4.24Å; D159-T165 CarbonylContact O-C 3.57Å; D159-T165 VanDerWaalsContact O-CA 3.27Å; D159-T165 WeakPolarHBondContact O-CA 3.47Å; D159-H166 VanDerWaalsContact CB-CE1 3.47Å; D159-H166 WeakPolarHBondContact CB-CE1 3.43Å; D159-H166 WeakPolarHBondContact CB-NE2 3.41Å; D159-H166 PolarHBondContact N-O 3.15Å; D159-H166 PolarHBondContact O-N 2.9Å; D159-H166 IonicContact OD2-CE1 2.75Å; D159-H166 PolarHBondContact OD2-CE1 2.71Å; D159-H166 IonicContact OD2-NE2 2.7Å; D159-C301 WeakPolarHBondContact CA-O 3.44Å; D159-C301 HydrophobicContact CB-CB 4.12Å; D159-G302 WeakPolarHBondContact OD1-CA 3.36Å
160S96.1Very high95.1Very high0 Ų017 Ų170%011%0.114CC..EExtended strand (participates in β ladder)trans-12097.8174.4-168.40000109.8T165 C301 G302 G303 S304S160-T165 PolarHBondContact OG-OG1 3.4Å; S160-C301 PolarHBondContact N-O 3.19Å; S160-G302 CarbonylContact O-C 3.59Å; S160-G302 WeakPolarHBondContact O-CA 3.47Å; S160-G303 PolarHBondContact O-N 2.75Å; S160-S304 WeakPolarHBondContact O-CB 3.43Å; S160-S304 PolarHBondContact O-N 3.04Å; S160-S304 WeakPolarHBondContact OG-CB 3.34Å
161G94.6Very high95.2Very high19 Ų1919.1 Ų19.120%0.19612%0.118CC..  trans-88.3-150.8-17900000113.2V164 G187 S304G161-V164 PolarHBondContact N-O 2.96Å; G161-V164 VanDerWaalsContact N-O 3.09Å; G161-G187 PolarHBondContact O-N 3.3Å; G161-S304 PolarHBondContact O-OG 2.85Å
162D94.6Very high95.3Very high29 Ų2921.3 Ų21.316%0.15511%0.109CC..SBendtrans-84.9-42.1174.3-172.758.6000112.3G19 A186 G187 R188G19-D162 WeakPolarHBondContact CA-OD2 3.45Å; D162-A186 VanDerWaalsContact O-CB 3.3Å; D162-A186 WeakPolarHBondContact O-CB 3.28Å; D162-G187 PolarHBondContact O-N 3.09Å; D162-R188 WeakPolarHBondContact O-CB 3.16Å; D162-R188 PolarHBondContact O-N 2.8Å; D162-R188 PolarHBondContact OD1-N 2.9Å; D162-R188 IonicContact OD2-CZ 2.82Å; D162-R188 IonicContact OD2-NE 3.86Å; D162-R188 PolarHBondContact OD2-NE 3.21Å; D162-R188 IonicContact OD2-NH2 3.43Å; D162-R188 PolarHBondContact OD2-NH2 3.3Å
163G92.4Very high95Very high1 Ų118.8 Ų18.81%0.0110%0.103CC..SBendtrans-100.3-30.8-175.400000115.2H77H77-G163 WeakPolarHBondContact CA-O 3.35Å; H77-G163 PolarHBondContact ND1-O 3.42Å
164V94.7Very high94.9Very high6 Ų622.4 Ų22.44%0.03611%0.112CC..  trans-139.7146.8-171.2640000110.6A113 G161 R182 A186A113-V164 HydrophobicContact CB-CG1 4.29Å; G161-V164 PolarHBondContact N-O 2.96Å; G161-V164 VanDerWaalsContact N-O 3.09Å; V164-R182 HydrophobicContact CG2-CG 3.77Å; V164-A186 VanDerWaalsContact N-CB 3.29Å
165T95.6Very high94.8Very high1 Ų121.9 Ų21.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-115.3128.8165.4-58.60000109L158 D159 S160 V183 I185 I275L158-T165 HydrophobicContact CD1-CG2 3.77Å; D159-T165 CarbonylContact O-C 3.57Å; D159-T165 VanDerWaalsContact O-CA 3.27Å; D159-T165 WeakPolarHBondContact O-CA 3.47Å; S160-T165 PolarHBondContact OG-OG1 3.4Å; T165-V183 PolarHBondContact N-O 3.14Å; T165-V183 PolarHBondContact O-N 2.99Å; T165-I185 WeakPolarHBondContact CB-O 3.42Å; T165-I185 PolarHBondContact OG1-O 3.49Å; T165-I275 HydrophobicContact CG2-CG2 3.73Å
166H95.8Very high94.7Very high1 Ų122.8 Ų22.81%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-135.6149.217960.6-94.5000111.7P114 D159 M181P114-H166 HydrophobicContact CG-CB 3.56Å; P114-H166 WeakPolarHBondContact CG-CD2 3.45Å; D159-H166 VanDerWaalsContact CB-CE1 3.47Å; D159-H166 WeakPolarHBondContact CB-CE1 3.43Å; D159-H166 WeakPolarHBondContact CB-NE2 3.41Å; D159-H166 PolarHBondContact N-O 3.15Å; D159-H166 PolarHBondContact O-N 2.9Å; D159-H166 IonicContact OD2-CE1 2.75Å; D159-H166 PolarHBondContact OD2-CE1 2.71Å; D159-H166 IonicContact OD2-NE2 2.7Å; H166-M181 CarbonylContact C-O 3.6Å; H166-M181 VanDerWaalsContact CA-O 3.32Å; H166-M181 WeakPolarHBondContact CA-O 3.45Å
167V97.4Very high94.4Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-120118.8174.5-177.40000108.3V156 V157 L158 M181 V278 L279 A282V156-V167 HydrophobicContact CG1-CG1 3.29Å; V157-V167 VanDerWaalsContact O-CA 3.3Å; V157-V167 WeakPolarHBondContact O-CA 3.27Å; L158-V167 HydrophobicContact CB-CG2 4.44Å; L158-V167 HydrophobicContact CD1-CG2 3.44Å; L158-V167 VanDerWaalsContact CD1-CG2 3.44Å; V167-M181 HydrophobicContact CB-CB 4.47Å; V167-M181 PolarHBondContact N-O 2.98Å; V167-M181 PolarHBondContact O-N 3.22Å; V167-V278 HydrophobicContact CB-CG1 4.29Å; V167-V278 HydrophobicContact CG2-CG1 3.74Å; V167-L279 HydrophobicContact CG1-CD1 3.65Å; V167-L279 HydrophobicContact CG2-CB 4.26Å; V167-L279 HydrophobicContact CG2-CD1 4.34Å; V167-A282 HydrophobicContact CB-CB 3.9Å; V167-A282 HydrophobicContact CG1-CB 3.4Å; V167-A282 VanDerWaalsContact CG1-CB 3.4Å
168V96.9Very high94.3Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-123.1109.9-178.1177.80000108.4P114 M141 A143 V157 I170 A175 I180P114-V168 HydrophobicContact CB-CG2 4.16Å; P114-V168 HydrophobicContact CG-CG2 4.09Å; M141-V168 HydrophobicContact SD-CG1 3.92Å; M141-V168 HydrophobicContact SD-CG2 4.02Å; A143-V168 HydrophobicContact CB-CB 3.55Å; A143-V168 HydrophobicContact CB-CG1 4.02Å; A143-V168 HydrophobicContact CB-CG2 3.71Å; V157-V168 PolarHBondContact N-O 3.45Å; V157-V168 PolarHBondContact O-N 3.1Å; V168-I170 HydrophobicContact CG1-CD1 4.39Å; V168-I170 HydrophobicContact CG1-CG1 3.91Å; V168-A175 HydrophobicContact CG1-CB 3.85Å; V168-I180 HydrophobicContact CG1-CD1 4.4Å; V168-I180 HydrophobicContact CG1-CG1 4.22Å; V168-I180 HydrophobicContact CG2-CD1 4.42Å; V168-I180 HydrophobicContact CG2-CG1 4.17Å; V168-I180 HydrophobicContact CG2-CG2 3.97Å
169P97.1Very high94.2Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-76.1132.8168.226.8-25.6000110V156 I176 S179 L294V156-P169 HydrophobicContact CG2-CB 4.19Å; P169-I176 HydrophobicContact CB-CD1 4.39Å; P169-I176 HydrophobicContact CG-CB 4.26Å; P169-I176 PolarHBondContact O-N 3.47Å; P169-S179 WeakPolarHBondContact CD-O 3.32Å; P169-L294 HydrophobicContact CB-CD1 3.96Å; P169-L294 HydrophobicContact CB-CD2 4.27Å
170I96.4Very high94.2Very high1 Ų132.3 Ų32.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-126.9133.1-176.6-57.3165.6000108.1V144 L147 T154 G155 V157 V168 F174 A175V144-I170 HydrophobicContact CB-CD1 4.49Å; V144-I170 HydrophobicContact CG2-CD1 4.11Å; L147-I170 HydrophobicContact CB-CD1 3.93Å; L147-I170 HydrophobicContact CD2-CB 3.69Å; L147-I170 HydrophobicContact CD2-CD1 3.72Å; L147-I170 HydrophobicContact CD2-CG1 4.29Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.45Å; T154-I170 WeakPolarHBondContact CA-O 3.32Å; G155-I170 PolarHBondContact N-O 3Å; G155-I170 PolarHBondContact O-N 3.26Å; G155-I170 VanDerWaalsContact O-O 3.08Å; V157-I170 HydrophobicContact CG2-CD1 4.07Å; V168-I170 HydrophobicContact CG1-CD1 4.39Å; V168-I170 HydrophobicContact CG1-CG1 3.91Å; I170-F174 CarbonylContact C-O 3.59Å; I170-F174 WeakPolarHBondContact CA-O 3.3Å; I170-A175 HydrophobicContact CG1-CB 4.44Å
171Y94.9Very high94.2Very high85 Ų8534 Ų3433%0.33318%0.176SC..EExtended strand (participates in β ladder)trans-129.1124.1177-174.4-99.1000109.9T154 G173 F174 L290T154-Y171 HydrophobicContact CG2-CD2 3.72Å; T154-Y171 HydrophobicContact CG2-CE2 3.95Å; T154-Y171 HydrophobicContact CG2-CG 4.38Å; Y171-G173 PolarHBondContact O-N 3.34Å; Y171-G173 VanDerWaalsContact O-N 3.1Å; Y171-F174 PolarHBondContact N-O 3.3Å; Y171-F174 PolarHBondContact O-N 3.15Å; Y171-L290 HydrophobicContact CD2-CD1 4.21Å; Y171-L290 HydrophobicContact CD2-CD2 3.47Å; Y171-L290 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L290 HydrophobicContact CD2-CG 4.41Å; Y171-L290 HydrophobicContact CE1-CD2 4.49Å; Y171-L290 HydrophobicContact CE2-CD2 3.37Å; Y171-L290 HydrophobicContact CG-CD1 4.15Å; Y171-L290 HydrophobicContact CG-CD2 4.09Å
172E91.5Very high94.2Very high118 Ų11835.6 Ų35.655%0.55118%0.176SC*.THydrogen-bonded Turntrans50.535.9179.6-66.7179.6-176.800114.1T153 T154 F174T153-E172 PolarHBondContact O-N 2.66Å; T153-E172 VanDerWaalsContact O-N 3.16Å; T154-E172 HydrophobicContact CG2-CG 4.15Å; T154-E172 VanDerWaalsContact CG2-N 3.34Å; E172-F174 VanDerWaalsContact C-N 3.35Å; E172-F174 WeakPolarHBondContact O-CD2 3.4Å
173G86.9Confident94.2Very high13 Ų1335.1 Ų35.113%0.13417%0.174CC..THydrogen-bonded Turntrans87.6-5.2-179.200000115Y148 T153 Y171Y148-G173 PolarHBondContact OH-O 3.1Å; T153-G173 PolarHBondContact O-N 3.32Å; Y171-G173 PolarHBondContact O-N 3.34Å; Y171-G173 VanDerWaalsContact O-N 3.1Å
174F89.5Confident94.2Very high153 Ų15338.2 Ų38.267%0.67119%0.19SC*.EExtended strand (participates in β ladder)trans-103.1126.7177.9-62.6-85000111.1I170 Y171 E172I170-F174 CarbonylContact C-O 3.59Å; I170-F174 WeakPolarHBondContact CA-O 3.3Å; Y171-F174 PolarHBondContact N-O 3.3Å; Y171-F174 PolarHBondContact O-N 3.15Å; E172-F174 VanDerWaalsContact C-N 3.35Å; E172-F174 WeakPolarHBondContact O-CD2 3.4Å
175A93.3Very high94.2Very high25 Ų2538.1 Ų38.121%0.20719%0.19CC..EExtended strand (participates in β ladder)trans-71.2136.1171.600000109.8M141 V144 V168 I170 P177M141-A175 HydrophobicContact CE-CB 4.14Å; M141-A175 HydrophobicContact SD-CB 4.33Å; V144-A175 HydrophobicContact CG2-CB 4.05Å; V168-A175 HydrophobicContact CG1-CB 3.85Å; I170-A175 HydrophobicContact CG1-CB 4.44Å; A175-P177 WeakPolarHBondContact O-CD 3.19Å
176I94.3Very high94.2Very high19 Ų1938 Ų3810%0.09719%0.189CC..  trans-88.599.3179.8-56176.2000108.7P169 H178 S179 I180 L290P169-I176 HydrophobicContact CB-CD1 4.39Å; P169-I176 HydrophobicContact CG-CB 4.26Å; P169-I176 PolarHBondContact O-N 3.47Å; I176-H178 WeakPolarHBondContact CG2-CE1 3.24Å; I176-H178 WeakPolarHBondContact CG2-NE2 3.25Å; I176-H178 PolarHBondContact O-N 3.43Å; I176-S179 PolarHBondContact O-N 3.43Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-I180 PolarHBondContact O-N 2.97Å; I176-L290 HydrophobicContact CD1-CD1 3.81Å
177P91.5Very high94.2Very high79 Ų7938 Ų3851%0.51319%0.189SC..G310 helixtrans-67.4-37.2-161.8-22.336.3000113.7A175 S179 I180A175-P177 WeakPolarHBondContact O-CD 3.19Å; P177-S179 PolarHBondContact O-N 3.44Å; P177-I180 WeakPolarHBondContact O-CB 3.42Å; P177-I180 WeakPolarHBondContact O-CG1 3.46Å; P177-I180 PolarHBondContact O-N 2.87Å
178H93.3Very high94.1Very high113 Ų11338.4 Ų38.452%0.52319%0.191SC..G310 helixtrans-70.2-17.6-18064.8-96.4000113.4I176I176-H178 WeakPolarHBondContact CG2-CE1 3.24Å; I176-H178 WeakPolarHBondContact CG2-NE2 3.25Å; I176-H178 PolarHBondContact O-N 3.43Å
179S95.9Very high94Very high0 Ų039.3 Ų39.30%020%0.195CC..G310 helixtrans-100.42.2179.8-66.70000112.8P169 I176 P177 M181 A282 K285 S286P169-S179 WeakPolarHBondContact CD-O 3.32Å; I176-S179 PolarHBondContact O-N 3.43Å; I176-S179 VanDerWaalsContact O-N 3.11Å; P177-S179 PolarHBondContact O-N 3.44Å; S179-M181 PolarHBondContact O-N 2.83Å; S179-A282 WeakPolarHBondContact O-CB 3.48Å; S179-K285 PolarHBondContact OG-O 3.32Å; S179-S286 WeakPolarHBondContact OG-CA 3.47Å; S179-S286 PolarHBondContact OG-N 2.68Å; S179-S286 VanDerWaalsContact OG-N 3.14Å
180I96.1Very high94Very high15 Ų1539.3 Ų39.38%0.07720%0.195CC..  trans-69.4128.6174.1-61.7177.9000109P114 L115 M141 V168 I176 P177P114-I180 HydrophobicContact CB-CG2 4.01Å; P114-I180 HydrophobicContact CG-CG2 4.46Å; L115-I180 HydrophobicContact CD1-CB 4.45Å; L115-I180 HydrophobicContact CD1-CG2 3.9Å; L115-I180 HydrophobicContact CG-CG2 4.01Å; M141-I180 HydrophobicContact CE-CD1 4.1Å; M141-I180 HydrophobicContact SD-CD1 4.3Å; V168-I180 HydrophobicContact CG1-CD1 4.4Å; V168-I180 HydrophobicContact CG1-CG1 4.22Å; V168-I180 HydrophobicContact CG2-CD1 4.42Å; V168-I180 HydrophobicContact CG2-CG1 4.17Å; V168-I180 HydrophobicContact CG2-CG2 3.97Å; I176-I180 PolarHBondContact O-N 2.97Å; P177-I180 WeakPolarHBondContact O-CB 3.42Å; P177-I180 WeakPolarHBondContact O-CG1 3.46Å; P177-I180 PolarHBondContact O-N 2.87Å
181M96.1Very high94Very high35 Ų3539.3 Ų39.317%0.17220%0.195CC..EExtended strand (participates in β ladder)trans-115.5137.4172.6-60.4-68.1-69.200109.3H166 V167 S179 V278 A282 K285H166-M181 CarbonylContact C-O 3.6Å; H166-M181 VanDerWaalsContact CA-O 3.32Å; H166-M181 WeakPolarHBondContact CA-O 3.45Å; V167-M181 HydrophobicContact CB-CB 4.47Å; V167-M181 PolarHBondContact N-O 2.98Å; V167-M181 PolarHBondContact O-N 3.22Å; S179-M181 PolarHBondContact O-N 2.83Å; M181-V278 HydrophobicContact CB-CG1 3.53Å; M181-V278 HydrophobicContact CG-CG1 4.47Å; M181-A282 HydrophobicContact CB-CB 4.28Å; M181-A282 HydrophobicContact CG-CB 3.67Å; M181-K285 HydrophobicContact SD-CD 3.87Å; M181-K285 PolarHBondContact SD-NZ 2.98Å
182R94.3Very high94Very high54 Ų5439 Ų3920%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-131.9136.6179.9173.8179.5164.9157.4-1.1109H77 L115 V164 D184H77-R182 PolarHBondContact O-NH2 2.94Å; L115-R182 HydrophobicContact CD1-CB 4.35Å; V164-R182 HydrophobicContact CG2-CG 3.77Å; R182-D184 IonicContact CZ-OD1 3.28Å; R182-D184 IonicContact NE-OD1 2.88Å; R182-D184 PolarHBondContact NE-OD1 3.16Å; R182-D184 IonicContact NH2-OD1 2.71Å; R182-D184 PolarHBondContact NH2-OD1 3.28Å; R182-D184 IonicContact NH2-OD2 3.78Å
183V94.5Very high94.2Very high18 Ų1834.4 Ų34.411%0.10917%0.172CC..EExtended strand (participates in β ladder)trans-132.5133.4172-178.20000108.5T165 I185 V278T165-V183 PolarHBondContact N-O 3.14Å; T165-V183 PolarHBondContact O-N 2.99Å; V183-I185 HydrophobicContact CG1-CB 3.89Å; V183-I185 HydrophobicContact CG1-CD1 3.97Å; V183-I185 HydrophobicContact CG1-CG1 3.84Å; V183-I185 PolarHBondContact O-N 3.37Å; V183-I185 VanDerWaalsContact O-N 3.09Å; V183-V278 HydrophobicContact CG2-CB 4.46Å; V183-V278 HydrophobicContact CG2-CG1 4.19Å; V183-V278 HydrophobicContact CG2-CG2 3.4Å
184D93.4Very high94.7Very high66 Ų6633.8 Ų33.835%0.35317%0.165SC..SBendtrans-86.336.6-179.2-67.4-24.1000111.5H77 R182H77-D184 HydrophobicContact CB-CB 4.16Å; H77-D184 PolarHBondContact CE1-O 3.1Å; H77-D184 PolarHBondContact ND1-O 2.86Å; R182-D184 IonicContact CZ-OD1 3.28Å; R182-D184 IonicContact NE-OD1 2.88Å; R182-D184 PolarHBondContact NE-OD1 3.16Å; R182-D184 IonicContact NH2-OD1 2.71Å; R182-D184 PolarHBondContact NH2-OD1 3.28Å; R182-D184 IonicContact NH2-OD2 3.78Å
185I93.9Very high94.9Very high4 Ų430.7 Ų30.72%0.02115%0.149CC..  trans-118.7120.3173.5-60.4173.4000108.2T165 V183 D189 L261 L262 P265 D270T165-I185 WeakPolarHBondContact CB-O 3.42Å; T165-I185 PolarHBondContact OG1-O 3.49Å; V183-I185 HydrophobicContact CG1-CB 3.89Å; V183-I185 HydrophobicContact CG1-CD1 3.97Å; V183-I185 HydrophobicContact CG1-CG1 3.84Å; V183-I185 PolarHBondContact O-N 3.37Å; V183-I185 VanDerWaalsContact O-N 3.09Å; I185-D189 HydrophobicContact CG2-CB 4.45Å; I185-L261 HydrophobicContact CG2-CG 4.18Å; I185-L262 HydrophobicContact CG2-CD2 4.29Å; I185-P265 HydrophobicContact CD1-CB 3.35Å; I185-P265 HydrophobicContact CD1-CG 3.42Å; I185-P265 VanDerWaalsContact CD1-CG 3.42Å; I185-D270 HydrophobicContact CD1-CB 4.37Å; I185-D270 WeakPolarHBondContact CD1-OD2 3.32Å
186A95.1Very high95Very high0 Ų033.5 Ų33.50%016%0.16CC..SBendtrans-153-157.8-176.700000112.6D162 V164 R188 D189 V190D162-A186 VanDerWaalsContact O-CB 3.3Å; D162-A186 WeakPolarHBondContact O-CB 3.28Å; V164-A186 VanDerWaalsContact N-CB 3.29Å; A186-R188 VanDerWaalsContact C-N 3.26Å; A186-R188 PolarHBondContact O-N 3.49Å; A186-D189 PolarHBondContact N-OD2 2.62Å; A186-D189 PolarHBondContact O-N 3.27Å; A186-V190 WeakPolarHBondContact O-CG2 3.22Å; A186-V190 PolarHBondContact O-N 3.23Å; A186-V190 VanDerWaalsContact O-N 3.11Å
187G95.4Very high95Very high0 Ų033.2 Ų33.20%016%0.158CC..Hα-helixtrans-61-29.5-174.100000114.9G161 D162 S191 K218 S304G161-G187 PolarHBondContact O-N 3.3Å; D162-G187 PolarHBondContact O-N 3.09Å; G187-S191 PolarHBondContact O-N 2.76Å; G187-S191 PolarHBondContact O-OG 2.91Å; G187-K218 PolarHBondContact O-NZ 3.45Å; G187-K218 VanDerWaalsContact O-NZ 3.11Å; G187-S304 WeakPolarHBondContact CA-OG 3.39Å; G187-S304 PolarHBondContact N-OG 2.95Å
188R95.4Very high95Very high9 Ų929.5 Ų29.53%0.03413%0.134CC..Hα-helixtrans-71.5-42177.9-172173.5-63176.50.6111S18 M75 D162 A186 S191 R192 F211S18-R188 PolarHBondContact O-NH2 3.4Å; M75-R188 PolarHBondContact O-NH1 2.85Å; D162-R188 WeakPolarHBondContact O-CB 3.16Å; D162-R188 PolarHBondContact O-N 2.8Å; D162-R188 PolarHBondContact OD1-N 2.9Å; D162-R188 IonicContact OD2-CZ 2.82Å; D162-R188 IonicContact OD2-NE 3.86Å; D162-R188 PolarHBondContact OD2-NE 3.21Å; D162-R188 IonicContact OD2-NH2 3.43Å; D162-R188 PolarHBondContact OD2-NH2 3.3Å; A186-R188 VanDerWaalsContact C-N 3.26Å; A186-R188 PolarHBondContact O-N 3.49Å; R188-S191 CarbonylContact O-C 3.56Å; R188-S191 WeakPolarHBondContact O-CA 3.44Å; R188-S191 WeakPolarHBondContact O-CB 3.35Å; R188-S191 PolarHBondContact O-N 2.84Å; R188-S191 VanDerWaalsContact O-N 3.1Å; R188-R192 WeakPolarHBondContact O-CG 3.09Å; R188-R192 PolarHBondContact O-N 3.44Å; R188-F211 HydrophobicContact CG-CE1 4.45Å; R188-F211 HydrophobicContact CG-CZ 4.2Å
189D95.9Very high95Very high18 Ų1831.3 Ų31.310%0.09614%0.137CC..Hα-helixtrans-68.1-38.9177.8-51.8-57.9000111H77 I185 A186 S191 R192 Y193 L261H77-D189 IonicContact CE1-OD2 3.47Å; I185-D189 HydrophobicContact CG2-CB 4.45Å; A186-D189 PolarHBondContact N-OD2 2.62Å; A186-D189 PolarHBondContact O-N 3.27Å; D189-S191 VanDerWaalsContact C-N 3.27Å; D189-S191 PolarHBondContact O-N 3.42Å; D189-R192 PolarHBondContact O-N 2.98Å; D189-R192 IonicContact OD1-CZ 2.69Å; D189-R192 IonicContact OD1-NH1 3.81Å; D189-R192 PolarHBondContact OD1-NH1 3.15Å; D189-Y193 WeakPolarHBondContact O-CB 3.41Å; D189-Y193 PolarHBondContact O-N 3.39Å; D189-L261 HydrophobicContact CB-CD2 4.01Å; D189-L261 WeakPolarHBondContact O-CD2 3.29Å
190V96.6Very high94.8Very high0 Ų038.6 Ų38.60%017%0.168CC..Hα-helixtrans-59.2-40.4169.7176.30000111.1A186 Y193 L194 K218 A258 L261 L262A186-V190 WeakPolarHBondContact O-CG2 3.22Å; A186-V190 PolarHBondContact O-N 3.23Å; A186-V190 VanDerWaalsContact O-N 3.11Å; V190-Y193 PolarHBondContact O-N 3.4Å; V190-L194 WeakPolarHBondContact O-CB 3.13Å; V190-L194 PolarHBondContact O-N 3.5Å; V190-K218 HydrophobicContact CB-CD 4.28Å; V190-K218 HydrophobicContact CG1-CD 3.83Å; V190-K218 HydrophobicContact CG1-CG 4.11Å; V190-A258 HydrophobicContact CG1-CB 4.37Å; V190-L261 HydrophobicContact CG2-CB 4.34Å; V190-L261 HydrophobicContact CG2-CD2 4.24Å; V190-L262 HydrophobicContact CG2-CD1 4.3Å; V190-L262 HydrophobicContact CG2-CD2 3.74Å; V190-L262 HydrophobicContact CG2-CG 3.74Å
191S96.3Very high94.4Very high1 Ų142.6 Ų42.61%0.00719%0.187CC..Hα-helixtrans-69.2-39.4177.8-49.60000111.8G187 R188 D189 L194 R195 V214 K218G187-S191 PolarHBondContact O-N 2.76Å; G187-S191 PolarHBondContact O-OG 2.91Å; R188-S191 CarbonylContact O-C 3.56Å; R188-S191 WeakPolarHBondContact O-CA 3.44Å; R188-S191 WeakPolarHBondContact O-CB 3.35Å; R188-S191 PolarHBondContact O-N 2.84Å; R188-S191 VanDerWaalsContact O-N 3.1Å; D189-S191 VanDerWaalsContact C-N 3.27Å; D189-S191 PolarHBondContact O-N 3.42Å; S191-L194 PolarHBondContact O-N 3.11Å; S191-R195 PolarHBondContact O-N 3.32Å; S191-V214 WeakPolarHBondContact O-CG1 3.41Å; S191-K218 WeakPolarHBondContact OG-CD 3.5Å; S191-K218 PolarHBondContact OG-NZ 3.34Å; S191-K218 VanDerWaalsContact OG-NZ 3.09Å
192R95.4Very high94Very high78 Ų7843.6 Ų43.629%0.29421%0.206SC..Hα-helixtrans-63.9-41.9174-71.1169.7-178.7153.5-10.9111.5E76 R188 D189 R195 L196 F211E76-R192 IonicContact OE1-CZ 3.83Å; E76-R192 IonicContact OE1-NH1 3.15Å; E76-R192 IonicContact OE1-NH2 2.92Å; E76-R192 PolarHBondContact OE1-NH2 3.39Å; R188-R192 WeakPolarHBondContact O-CG 3.09Å; R188-R192 PolarHBondContact O-N 3.44Å; D189-R192 PolarHBondContact O-N 2.98Å; D189-R192 IonicContact OD1-CZ 2.69Å; D189-R192 IonicContact OD1-NH1 3.81Å; D189-R192 PolarHBondContact OD1-NH1 3.15Å; R192-R195 WeakPolarHBondContact O-CB 3.29Å; R192-R195 PolarHBondContact O-N 3.32Å; R192-L196 PolarHBondContact O-N 3.24Å; R192-L196 VanDerWaalsContact O-N 3.09Å; R192-F211 HydrophobicContact CB-CE2 4.48Å; R192-F211 HydrophobicContact CG-CE2 3.77Å; R192-F211 HydrophobicContact CG-CZ 3.86Å
193Y96Very high93.8Very high23 Ų2344.5 Ų44.59%0.0921%0.21CC..Hα-helixtrans-69-41.4177.3-176.7-128.5000111.6D189 V190 R195 L196 L197 R257 L261 L267 I268D189-Y193 WeakPolarHBondContact O-CB 3.41Å; D189-Y193 PolarHBondContact O-N 3.39Å; V190-Y193 PolarHBondContact O-N 3.4Å; Y193-R195 VanDerWaalsContact C-N 3.31Å; Y193-R195 PolarHBondContact O-N 2.65Å; Y193-L196 HydrophobicContact CD2-CD2 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.15Å; Y193-L196 PolarHBondContact O-N 3.13Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; Y193-L197 HydrophobicContact CD1-CD1 4.16Å; Y193-L197 HydrophobicContact CD2-CG 4.5Å; Y193-L197 HydrophobicContact CE1-CD1 3.8Å; Y193-L197 HydrophobicContact CE1-CG 4.37Å; Y193-L197 HydrophobicContact CE2-CD1 4.49Å; Y193-L197 HydrophobicContact CE2-CD2 4.13Å; Y193-L197 HydrophobicContact CE2-CG 4.19Å; Y193-L197 WeakPolarHBondContact O-CG 3.38Å; Y193-L197 PolarHBondContact O-N 3.09Å; Y193-R257 WeakPolarHBondContact CE1-O 3.48Å; Y193-L261 HydrophobicContact CD1-CB 4.08Å; Y193-L261 HydrophobicContact CD1-CD2 4.37Å; Y193-L261 HydrophobicContact CG-CD2 4.34Å; Y193-L267 HydrophobicContact CE1-CB 4.44Å; Y193-L267 HydrophobicContact CE1-CD1 4.22Å; Y193-I268 HydrophobicContact CD2-CG2 3.79Å; Y193-I268 HydrophobicContact CE2-CG2 4.39Å; Y193-I268 HydrophobicContact CG-CG2 4.1Å
194L95.6Very high93.7Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-58.2-43.4172.2-179.560.8000111.6V190 S191 L196 L197 L198 V214 I217 K218 A254 A258V190-L194 WeakPolarHBondContact O-CB 3.13Å; V190-L194 PolarHBondContact O-N 3.5Å; S191-L194 PolarHBondContact O-N 3.11Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.48Å; L194-L197 PolarHBondContact O-N 3.01Å; L194-L198 HydrophobicContact CD1-CD1 4.28Å; L194-L198 HydrophobicContact CD1-CG 4.21Å; L194-L198 HydrophobicContact CG-CD1 4.01Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.38Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.82Å; L194-V214 HydrophobicContact CG-CG1 3.85Å; L194-I217 HydrophobicContact CD2-CB 4.47Å; L194-I217 HydrophobicContact CD2-CG2 4.11Å; L194-K218 HydrophobicContact CD2-CB 3.81Å; L194-A254 HydrophobicContact CD1-CB 4.01Å; L194-A258 HydrophobicContact CB-CB 3.83Å; L194-A258 HydrophobicContact CD1-CB 3.84Å; L194-A258 HydrophobicContact CG-CB 4.35Å
195R95.4Very high93.6Very high88 Ų8846.2 Ų46.233%0.33222%0.217SC..Hα-helixtrans-57.7-42.7174.4-177.4177.566.9166.62.6111.9S191 R192 Y193 L198 R199 F205 V214S191-R195 PolarHBondContact O-N 3.32Å; R192-R195 WeakPolarHBondContact O-CB 3.29Å; R192-R195 PolarHBondContact O-N 3.32Å; Y193-R195 VanDerWaalsContact C-N 3.31Å; Y193-R195 PolarHBondContact O-N 2.65Å; R195-L198 PolarHBondContact O-N 3.35Å; R195-R199 WeakPolarHBondContact O-CB 3.47Å; R195-R199 PolarHBondContact O-N 3.15Å; R195-F205 VanDerWaalsContact CD-O 3.31Å; R195-F205 WeakPolarHBondContact CD-O 3.33Å; R195-F205 HydrophobicContact CG-CB 4.24Å; R195-V214 HydrophobicContact CB-CG1 4.1Å; R195-V214 HydrophobicContact CB-CG2 4.29Å; R195-V214 HydrophobicContact CG-CG2 4.43Å
196L94.4Very high93.4Very high83 Ų8351.6 Ų51.644%0.43525%0.246SC..Hα-helixtrans-64.8-40.7176.9-179.264.7000111.9R192 Y193 L194 R199 K200R192-L196 PolarHBondContact O-N 3.24Å; R192-L196 VanDerWaalsContact O-N 3.09Å; Y193-L196 HydrophobicContact CD2-CD2 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.15Å; Y193-L196 PolarHBondContact O-N 3.13Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.48Å; L196-R199 WeakPolarHBondContact O-CB 3.11Å; L196-R199 PolarHBondContact O-N 2.99Å; L196-K200 PolarHBondContact O-N 3.21Å
197L93.5Very high93.1Very high13 Ų1354 Ų547%0.06826%0.26CS..Hα-helixtrans-65.7-44.9176.4-67176.9000111.7Y193 L194 R199 K200 E201 A254 R257 A258Y193-L197 HydrophobicContact CD1-CD1 4.16Å; Y193-L197 HydrophobicContact CD2-CG 4.5Å; Y193-L197 HydrophobicContact CE1-CD1 3.8Å; Y193-L197 HydrophobicContact CE1-CG 4.37Å; Y193-L197 HydrophobicContact CE2-CD1 4.49Å; Y193-L197 HydrophobicContact CE2-CD2 4.13Å; Y193-L197 HydrophobicContact CE2-CG 4.19Å; Y193-L197 WeakPolarHBondContact O-CG 3.38Å; Y193-L197 PolarHBondContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 3.01Å; L197-R199 PolarHBondContact O-N 3.28Å; L197-K200 WeakPolarHBondContact O-CB 3.49Å; L197-K200 PolarHBondContact O-N 2.84Å; L197-E201 PolarHBondContact O-N 3.12Å; L197-E201 VanDerWaalsContact O-N 3.16Å; L197-A254 HydrophobicContact CB-CB 3.91Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; L197-R257 HydrophobicContact CD1-CB 3.89Å; L197-A258 HydrophobicContact CD1-CB 4.23Å
198L93.1Very high92.8Very high1 Ų155.7 Ų55.71%0.00527%0.273CS..Hα-helixtrans-61-35.6176.5-69.5172000112L194 R195 K200 E201 G202 Y203 F205 V214 I217 L249L194-L198 HydrophobicContact CD1-CD1 4.28Å; L194-L198 HydrophobicContact CD1-CG 4.21Å; L194-L198 HydrophobicContact CG-CD1 4.01Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.38Å; R195-L198 PolarHBondContact O-N 3.35Å; L198-K200 VanDerWaalsContact C-N 3.35Å; L198-K200 PolarHBondContact O-N 3.32Å; L198-E201 CarbonylContact O-C 3.53Å; L198-E201 PolarHBondContact O-N 2.72Å; L198-G202 PolarHBondContact O-N 2.99Å; L198-Y203 CarbonylContact C-O 3.34Å; L198-Y203 VanDerWaalsContact C-O 3.27Å; L198-Y203 PolarHBondContact O-N 3.29Å; L198-F205 HydrophobicContact CB-CD2 4.4Å; L198-F205 HydrophobicContact CB-CE2 4.26Å; L198-F205 HydrophobicContact CD1-CD2 4.24Å; L198-F205 HydrophobicContact CD1-CE2 3.84Å; L198-V214 HydrophobicContact CD1-CG1 4.37Å; L198-V214 HydrophobicContact CD1-CG2 4.45Å; L198-I217 HydrophobicContact CD1-CD1 4.46Å; L198-L249 HydrophobicContact CD2-CD2 4.26Å
199R93.3Very high92.4Very high151 Ų15155.8 Ų55.857%0.5728%0.276SS*.Hα-helixtrans-62.8-38.1172.5175.4163.4-167.6-1601.8112.9R195 L196 L197 E201 G202 Y203 N204R195-R199 WeakPolarHBondContact O-CB 3.47Å; R195-R199 PolarHBondContact O-N 3.15Å; L196-R199 WeakPolarHBondContact O-CB 3.11Å; L196-R199 PolarHBondContact O-N 2.99Å; L197-R199 PolarHBondContact O-N 3.28Å; R199-E201 VanDerWaalsContact C-N 3.28Å; R199-E201 PolarHBondContact O-N 2.73Å; R199-G202 PolarHBondContact O-N 3.34Å; R199-G202 VanDerWaalsContact O-N 3.17Å; R199-Y203 VanDerWaalsContact CA-O 3.25Å; R199-Y203 WeakPolarHBondContact CA-O 3.29Å; R199-Y203 PolarHBondContact N-O 2.56Å; R199-N204 VanDerWaalsContact CG-OD1 3.3Å; R199-N204 WeakPolarHBondContact CG-OD1 3.47Å
200K90.9Very high92.2Very high154 Ų15457.9 Ų57.967%0.6729%0.285SS*.Hα-helixtrans-66-31.5174.4-68.7179.3179.3-178.10112.3L196 L197 L198 G202L196-K200 PolarHBondContact O-N 3.21Å; L197-K200 WeakPolarHBondContact O-CB 3.49Å; L197-K200 PolarHBondContact O-N 2.84Å; L198-K200 VanDerWaalsContact C-N 3.35Å; L198-K200 PolarHBondContact O-N 3.32Å; K200-G202 PolarHBondContact O-N 3.03Å
201E87.4Confident92Very high98 Ų9858.8 Ų58.846%0.45829%0.289SS..THydrogen-bonded Turntrans-79.5-2.7175.2-59.8-69.1151.200113.2L197 L198 R199 Y203L197-E201 PolarHBondContact O-N 3.12Å; L197-E201 VanDerWaalsContact O-N 3.16Å; L198-E201 CarbonylContact O-C 3.53Å; L198-E201 PolarHBondContact O-N 2.72Å; R199-E201 VanDerWaalsContact C-N 3.28Å; R199-E201 PolarHBondContact O-N 2.73Å; E201-Y203 HydrophobicContact CB-CD2 4.14Å; E201-Y203 HydrophobicContact CB-CE2 4.37Å
202G88.8Confident91.8Very high56 Ų5659 Ų5958%0.57729%0.289SS*.THydrogen-bonded Turntrans102.9-2.2176.600000115.6L198 R199 K200L198-G202 PolarHBondContact O-N 2.99Å; R199-G202 PolarHBondContact O-N 3.34Å; R199-G202 VanDerWaalsContact O-N 3.17Å; K200-G202 PolarHBondContact O-N 3.03Å
203Y89.8Confident91.7Very high74 Ų7456.6 Ų56.629%0.2928%0.283SS..  trans-97.5111.5179.6-55.1-81.7000111.3L198 R199 E201 L249L198-Y203 CarbonylContact C-O 3.34Å; L198-Y203 VanDerWaalsContact C-O 3.27Å; L198-Y203 PolarHBondContact O-N 3.29Å; R199-Y203 VanDerWaalsContact CA-O 3.25Å; R199-Y203 WeakPolarHBondContact CA-O 3.29Å; R199-Y203 PolarHBondContact N-O 2.56Å; E201-Y203 HydrophobicContact CB-CD2 4.14Å; E201-Y203 HydrophobicContact CB-CE2 4.37Å; Y203-L249 HydrophobicContact CD1-CD1 3.31Å; Y203-L249 HydrophobicContact CD2-CD1 3.35Å; Y203-L249 HydrophobicContact CE1-CD1 3.44Å; Y203-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y203-L249 HydrophobicContact CE2-CD1 3.49Å; Y203-L249 VanDerWaalsContact CE2-CD1 3.49Å; Y203-L249 HydrophobicContact CG-CD1 3.25Å
204N91.3Very high91.6Very high95 Ų9555.5 Ų55.551%0.50828%0.279SS..  trans-96.9114.1-177.4-70.1-45.6000111.6R199R199-N204 VanDerWaalsContact CG-OD1 3.3Å; R199-N204 WeakPolarHBondContact CG-OD1 3.47Å
205F91.7Very high91.5Very high25 Ų2557.1 Ų57.111%0.1129%0.285CS..  trans-110104.9170.2-62.2-72000108.7R195 L198 E210 V214 L243R195-F205 VanDerWaalsContact CD-O 3.31Å; R195-F205 WeakPolarHBondContact CD-O 3.33Å; R195-F205 HydrophobicContact CG-CB 4.24Å; L198-F205 HydrophobicContact CB-CD2 4.4Å; L198-F205 HydrophobicContact CB-CE2 4.26Å; L198-F205 HydrophobicContact CD1-CD2 4.24Å; L198-F205 HydrophobicContact CD1-CE2 3.84Å; F205-E210 VanDerWaalsContact CA-OE2 3.32Å; F205-E210 WeakPolarHBondContact CA-OE2 3.46Å; F205-E210 HydrophobicContact CB-CB 3.96Å; F205-E210 HydrophobicContact CD1-CB 3.89Å; F205-E210 HydrophobicContact CD1-CG 4.08Å; F205-E210 HydrophobicContact CG-CB 4.39Å; F205-V214 HydrophobicContact CB-CG2 4.02Å; F205-V214 HydrophobicContact CD2-CG2 3.71Å; F205-V214 HydrophobicContact CE2-CG2 4.32Å; F205-V214 HydrophobicContact CG-CG2 3.82Å; F205-L243 HydrophobicContact CE1-CD2 4.41Å; F205-L243 HydrophobicContact CZ-CD1 4.45Å; F205-L243 HydrophobicContact CZ-CD2 4.26Å
206N89.4Confident91.4Very high117 Ų11754.4 Ų54.463%0.62628%0.279SS*.  trans-105.2-34.2-174.4-67.7-28.5000112.6E210N206-E210 PolarHBondContact N-OE2 3.39Å
207T90.4Very high91.4Very high49 Ų4950.5 Ų50.530%0.30126%0.258SS..SBendtrans-81.1158.3-171.972.50000112.4A209 E210 F211T207-A209 PolarHBondContact O-N 2.83Å; T207-E210 VanDerWaalsContact CG2-OE1 3.29Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.47Å; T207-E210 PolarHBondContact N-OE2 3.28Å; T207-E210 PolarHBondContact O-N 2.85Å; T207-E210 WeakPolarHBondContact OG1-CB 3.37Å; T207-E210 VanDerWaalsContact OG1-CG 3.26Å; T207-E210 WeakPolarHBondContact OG1-CG 3.49Å; T207-E210 PolarHBondContact OG1-N 3.23Å; T207-E210 PolarHBondContact OG1-OE1 3.13Å; T207-E210 PolarHBondContact OG1-OE2 3.41Å; T207-F211 PolarHBondContact O-N 2.99Å
208S88.8Confident91.4Very high37 Ų3750.5 Ų50.526%0.25926%0.257SS..Hα-helixtrans-62.4-30.5174.962.40000112.5V71 F211V71-S208 PolarHBondContact N-OG 3.24Å; V71-S208 VanDerWaalsContact N-OG 3.14Å; S208-F211 WeakPolarHBondContact O-CB 3.38Å
209A87.2Confident91.4Very high11 Ų1155.8 Ų55.89%0.09128%0.282CS..Hα-helixtrans-72.4-41.5177.300000111.3R66 T207 F211 E212R66-A209 HydrophobicContact CB-CB 4.09Å; R66-A209 VanDerWaalsContact O-CB 3.29Å; R66-A209 WeakPolarHBondContact O-CB 3.42Å; T207-A209 PolarHBondContact O-N 2.83Å; A209-F211 VanDerWaalsContact C-N 3.28Å; A209-F211 PolarHBondContact O-N 3.4Å; A209-E212 WeakPolarHBondContact O-CB 3.48Å; A209-E212 PolarHBondContact O-N 3.44Å
210E90.6Very high91.3Very high61 Ų6156.8 Ų56.829%0.28529%0.286SS..Hα-helixtrans-64.8-31.6173.4-76.6152.3-138.900112.5F205 N206 T207 E212 V213 V214F205-E210 VanDerWaalsContact CA-OE2 3.32Å; F205-E210 WeakPolarHBondContact CA-OE2 3.46Å; F205-E210 HydrophobicContact CB-CB 3.96Å; F205-E210 HydrophobicContact CD1-CB 3.89Å; F205-E210 HydrophobicContact CD1-CG 4.08Å; F205-E210 HydrophobicContact CG-CB 4.39Å; N206-E210 PolarHBondContact N-OE2 3.39Å; T207-E210 VanDerWaalsContact CG2-OE1 3.29Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.47Å; T207-E210 PolarHBondContact N-OE2 3.28Å; T207-E210 PolarHBondContact O-N 2.85Å; T207-E210 WeakPolarHBondContact OG1-CB 3.37Å; T207-E210 VanDerWaalsContact OG1-CG 3.26Å; T207-E210 WeakPolarHBondContact OG1-CG 3.49Å; T207-E210 PolarHBondContact OG1-N 3.23Å; T207-E210 PolarHBondContact OG1-OE1 3.13Å; T207-E210 PolarHBondContact OG1-OE2 3.41Å; E210-E212 PolarHBondContact O-N 2.8Å; E210-V213 WeakPolarHBondContact O-CA 3.11Å; E210-V213 VanDerWaalsContact O-CB 3.32Å; E210-V213 WeakPolarHBondContact O-CB 3.37Å; E210-V213 PolarHBondContact O-N 3.48Å; E210-V214 PolarHBondContact O-N 2.83Å; E210-V214 VanDerWaalsContact O-N 3.11Å
211F93.2Very high91.3Very high20 Ų2050.1 Ų50.19%0.08826%0.26CS..Hα-helixtrans-58.6-36.7174.5-176.8-108.4000112.3R188 R192 T207 S208 A209 V213 V214 R215R188-F211 HydrophobicContact CG-CE1 4.45Å; R188-F211 HydrophobicContact CG-CZ 4.2Å; R192-F211 HydrophobicContact CB-CE2 4.48Å; R192-F211 HydrophobicContact CG-CE2 3.77Å; R192-F211 HydrophobicContact CG-CZ 3.86Å; T207-F211 PolarHBondContact O-N 2.99Å; S208-F211 WeakPolarHBondContact O-CB 3.38Å; A209-F211 VanDerWaalsContact C-N 3.28Å; A209-F211 PolarHBondContact O-N 3.4Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.23Å; F211-V214 WeakPolarHBondContact O-CB 3.34Å; F211-V214 PolarHBondContact O-N 3.46Å; F211-R215 PolarHBondContact O-N 2.87Å
212E92.3Very high91.5Very high4 Ų445.8 Ų45.82%0.01924%0.24CC..Hα-helixtrans-66.6-32.9173.8-78.8-67.2113.700112.6Y38 R66 Y73 A209 E210 V214 R215 T216Y38-E212 HydrophobicContact CE1-CG 4.36Å; R66-E212 IonicContact NH1-OE2 3.65Å; R66-E212 PolarHBondContact NH1-OE2 3.42Å; Y73-E212 PolarHBondContact OH-OE1 2.9Å; A209-E212 WeakPolarHBondContact O-CB 3.48Å; A209-E212 PolarHBondContact O-N 3.44Å; E210-E212 PolarHBondContact O-N 2.8Å; E212-V214 VanDerWaalsContact C-N 3.32Å; E212-V214 PolarHBondContact O-N 2.9Å; E212-R215 WeakPolarHBondContact O-CB 3.46Å; E212-R215 PolarHBondContact O-N 3.2Å; E212-R215 IonicContact OE1-NE 2.75Å; E212-R215 PolarHBondContact OE1-NE 2.85Å; E212-R215 IonicContact OE2-CZ 3.71Å; E212-R215 VanDerWaalsContact OE2-CZ 3.32Å; E212-R215 IonicContact OE2-NE 2.98Å; E212-R215 PolarHBondContact OE2-NE 3.1Å; E212-R215 IonicContact OE2-NH2 2.81Å; E212-R215 PolarHBondContact OE2-NH2 3.42Å; E212-T216 PolarHBondContact O-N 2.82Å; E212-T216 PolarHBondContact O-OG1 3.42Å
213V92.4Very high91.8Very high28 Ų2845.5 Ų45.517%0.1722%0.222CC..Hα-helixtrans-63.4-41.9173.1-176.70000110.2E210 F211 R215 T216 I217 L243 P244E210-V213 WeakPolarHBondContact O-CA 3.11Å; E210-V213 VanDerWaalsContact O-CB 3.32Å; E210-V213 WeakPolarHBondContact O-CB 3.37Å; E210-V213 PolarHBondContact O-N 3.48Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.23Å; V213-R215 VanDerWaalsContact C-N 3.3Å; V213-R215 PolarHBondContact O-N 2.83Å; V213-T216 PolarHBondContact O-N 3.19Å; V213-T216 VanDerWaalsContact O-N 3.17Å; V213-I217 HydrophobicContact CG1-CD1 4.15Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.28Å; V213-I217 PolarHBondContact O-N 3.39Å; V213-L243 HydrophobicContact CG1-CD2 3.69Å; V213-P244 HydrophobicContact CG1-CG 4.39Å; V213-P244 HydrophobicContact CG2-CG 4.22Å
214V94.6Very high91.9Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-61.3-38.8174.4-178.50000111.4S191 L194 R195 L198 F205 E210 F211 E212 I217 K218S191-V214 WeakPolarHBondContact O-CG1 3.41Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.82Å; L194-V214 HydrophobicContact CG-CG1 3.85Å; R195-V214 HydrophobicContact CB-CG1 4.1Å; R195-V214 HydrophobicContact CB-CG2 4.29Å; R195-V214 HydrophobicContact CG-CG2 4.43Å; L198-V214 HydrophobicContact CD1-CG1 4.37Å; L198-V214 HydrophobicContact CD1-CG2 4.45Å; F205-V214 HydrophobicContact CB-CG2 4.02Å; F205-V214 HydrophobicContact CD2-CG2 3.71Å; F205-V214 HydrophobicContact CE2-CG2 4.32Å; F205-V214 HydrophobicContact CG-CG2 3.82Å; E210-V214 PolarHBondContact O-N 2.83Å; E210-V214 VanDerWaalsContact O-N 3.11Å; F211-V214 WeakPolarHBondContact O-CB 3.34Å; F211-V214 PolarHBondContact O-N 3.46Å; E212-V214 VanDerWaalsContact C-N 3.32Å; E212-V214 PolarHBondContact O-N 2.9Å; V214-I217 WeakPolarHBondContact O-CB 3.21Å; V214-I217 PolarHBondContact O-N 3.09Å; V214-K218 PolarHBondContact O-N 3.1Å
215R93.9Very high91.9Very high35 Ų3538.1 Ų38.113%0.13219%0.188CC..Hα-helixtrans-61.1-44.6173.5-175-175.96681.8-5.9111.7F211 E212 V213 I217 K218 E219F211-R215 PolarHBondContact O-N 2.87Å; E212-R215 WeakPolarHBondContact O-CB 3.46Å; E212-R215 PolarHBondContact O-N 3.2Å; E212-R215 IonicContact OE1-NE 2.75Å; E212-R215 PolarHBondContact OE1-NE 2.85Å; E212-R215 IonicContact OE2-CZ 3.71Å; E212-R215 VanDerWaalsContact OE2-CZ 3.32Å; E212-R215 IonicContact OE2-NE 2.98Å; E212-R215 PolarHBondContact OE2-NE 3.1Å; E212-R215 IonicContact OE2-NH2 2.81Å; E212-R215 PolarHBondContact OE2-NH2 3.42Å; V213-R215 VanDerWaalsContact C-N 3.3Å; V213-R215 PolarHBondContact O-N 2.83Å; R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.47Å; R215-K218 WeakPolarHBondContact O-CB 3.36Å; R215-K218 PolarHBondContact O-N 3.24Å; R215-E219 WeakPolarHBondContact CG-OE1 3.48Å; R215-E219 IonicContact CZ-OE1 3.04Å; R215-E219 IonicContact NH1-OE1 3.59Å; R215-E219 PolarHBondContact NH1-OE1 2.81Å; R215-E219 IonicContact NH1-OE2 2.78Å; R215-E219 PolarHBondContact NH1-OE2 2.77Å; R215-E219 WeakPolarHBondContact O-CG 3.4Å; R215-E219 PolarHBondContact O-N 3.33Å; R215-E219 VanDerWaalsContact O-N 3.08Å
216T92.7Very high91.7Very high31 Ų3140.5 Ų40.519%0.1920%0.201CC..Hα-helixtrans-63.8-38.4176.1-52.90000112E212 V213 E219 R220 Y241E212-T216 PolarHBondContact O-N 2.82Å; E212-T216 PolarHBondContact O-OG1 3.42Å; V213-T216 PolarHBondContact O-N 3.19Å; V213-T216 VanDerWaalsContact O-N 3.17Å; T216-E219 PolarHBondContact O-N 2.73Å; T216-R220 WeakPolarHBondContact O-CG 3.14Å; T216-R220 PolarHBondContact O-N 3.07Å; T216-R220 VanDerWaalsContact O-N 3.11Å; T216-Y241 WeakPolarHBondContact CG2-OH 3.3Å
217I93.4Very high91.5Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-60.7-47.1174.4-69163.5000110.4L194 L198 V213 V214 R215 E219 R220 A221 Y241 L243 L249 I251L194-I217 HydrophobicContact CD2-CB 4.47Å; L194-I217 HydrophobicContact CD2-CG2 4.11Å; L198-I217 HydrophobicContact CD1-CD1 4.46Å; V213-I217 HydrophobicContact CG1-CD1 4.15Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.28Å; V213-I217 PolarHBondContact O-N 3.39Å; V214-I217 WeakPolarHBondContact O-CB 3.21Å; V214-I217 PolarHBondContact O-N 3.09Å; R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.47Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.27Å; I217-R220 PolarHBondContact O-N 2.92Å; I217-A221 HydrophobicContact CG2-CB 4.39Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 3.11Å; I217-Y241 HydrophobicContact CD1-CD1 4.27Å; I217-Y241 HydrophobicContact CD1-CE1 4.27Å; I217-Y241 HydrophobicContact CG1-CD1 3.76Å; I217-Y241 HydrophobicContact CG1-CE1 3.56Å; I217-Y241 HydrophobicContact CG1-CE2 4.4Å; I217-Y241 HydrophobicContact CG1-CG 4.28Å; I217-L243 HydrophobicContact CD1-CD2 4.16Å; I217-L249 HydrophobicContact CD1-CD2 3.6Å; I217-I251 HydrophobicContact CG2-CD1 3.37Å; I217-I251 HydrophobicContact CG2-CG1 4.36Å
218K94.8Very high90.9Very high13 Ų1337.8 Ų37.86%0.05719%0.186CC..Hα-helixtrans-53.8-50.1175.7175.2-159.469.2-173.10111.1G187 V190 S191 L194 V214 R215 R220 C222G187-K218 PolarHBondContact O-NZ 3.45Å; G187-K218 VanDerWaalsContact O-NZ 3.11Å; V190-K218 HydrophobicContact CB-CD 4.28Å; V190-K218 HydrophobicContact CG1-CD 3.83Å; V190-K218 HydrophobicContact CG1-CG 4.11Å; S191-K218 WeakPolarHBondContact OG-CD 3.5Å; S191-K218 PolarHBondContact OG-NZ 3.34Å; S191-K218 VanDerWaalsContact OG-NZ 3.09Å; L194-K218 HydrophobicContact CD2-CB 3.81Å; V214-K218 PolarHBondContact O-N 3.1Å; R215-K218 WeakPolarHBondContact O-CB 3.36Å; R215-K218 PolarHBondContact O-N 3.24Å; K218-R220 VanDerWaalsContact C-N 3.33Å; K218-R220 PolarHBondContact O-N 2.96Å; K218-C222 VanDerWaalsContact O-CB 3.23Å; K218-C222 WeakPolarHBondContact O-CB 3.34Å; K218-C222 PolarHBondContact O-N 3.14Å
219E92.6Very high90.6Very high113 Ų11343.1 Ų43.153%0.52821%0.207SC..Hα-helixtrans-65.2-34.4-176-72.2167.4-166.300113.1R215 T216 I217R215-E219 WeakPolarHBondContact CG-OE1 3.48Å; R215-E219 IonicContact CZ-OE1 3.04Å; R215-E219 IonicContact NH1-OE1 3.59Å; R215-E219 PolarHBondContact NH1-OE1 2.81Å; R215-E219 IonicContact NH1-OE2 2.78Å; R215-E219 PolarHBondContact NH1-OE2 2.77Å; R215-E219 WeakPolarHBondContact O-CG 3.4Å; R215-E219 PolarHBondContact O-N 3.33Å; R215-E219 VanDerWaalsContact O-N 3.08Å; T216-E219 PolarHBondContact O-N 2.73Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.27Å
220R91.5Very high90.3Very high172 Ų17248.8 Ų48.865%0.64923%0.229SC*.Hα-helixtrans-91.5-39.9-175.4-68-179.4176.5-175.9-1.3114.2T216 I217 K218 Y241T216-R220 WeakPolarHBondContact O-CG 3.14Å; T216-R220 PolarHBondContact O-N 3.07Å; T216-R220 VanDerWaalsContact O-N 3.11Å; I217-R220 PolarHBondContact O-N 2.92Å; K218-R220 VanDerWaalsContact C-N 3.33Å; K218-R220 PolarHBondContact O-N 2.96Å; R220-Y241 HydrophobicContact CB-CE2 4.27Å
221A90.5Very high89.8Confident14 Ų1447.5 Ų47.512%0.11623%0.225CC..Hα-helixtrans-106.5-23.5-16600000114.7I217 I251 R255I217-A221 HydrophobicContact CG2-CB 4.39Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 3.11Å; A221-I251 HydrophobicContact CB-CD1 3.64Å; A221-R255 PolarHBondContact O-NE 3.06Å; A221-R255 VanDerWaalsContact O-NE 3.1Å; A221-R255 PolarHBondContact O-NH2 3.22Å
222C92.9Very high89Confident6 Ų651.9 Ų51.94%0.04125%0.246CC..  trans-76.4149.7-176.9-700000113K218 R255 P259K218-C222 VanDerWaalsContact O-CB 3.23Å; K218-C222 WeakPolarHBondContact O-CB 3.34Å; K218-C222 PolarHBondContact O-N 3.14Å; C222-R255 VanDerWaalsContact CA-O 3.24Å; C222-R255 WeakPolarHBondContact CA-O 3.33Å; C222-R255 VanDerWaalsContact CB-O 3.24Å; C222-R255 WeakPolarHBondContact CB-O 3.38Å; C222-R255 PolarHBondContact SG-O 2.73Å; C222-P259 HydrophobicContact CB-CG 4.35Å
223Y93.3Very high88.2Confident50 Ų5057.3 Ų57.320%0.19628%0.279CS..BIsolated β-bridgetrans-148.1155.8172.269.4-86.9000109.4R255 F256 P259Y223-R255 HydrophobicContact CD1-CG 4.12Å; Y223-R255 HydrophobicContact CE1-CG 3.64Å; Y223-R255 VanDerWaalsContact CE1-NE 3.28Å; Y223-R255 PolarHBondContact N-O 3.27Å; Y223-F256 HydrophobicContact CD2-CB 4.43Å; Y223-F256 HydrophobicContact CE1-CB 4.18Å; Y223-F256 HydrophobicContact CE2-CB 3.95Å; Y223-F256 WeakPolarHBondContact O-CA 3.36Å; Y223-P259 VanDerWaalsContact O-CG 3.27Å; Y223-P259 WeakPolarHBondContact O-CG 3.45Å
224L93.3Very high87.3Confident8 Ų861.3 Ų61.34%0.04230%0.299CS..  trans-95.2127.6173-81.6160.9000109.6P259 F263 I307 K308 F310L224-P259 HydrophobicContact CD2-CB 3.77Å; L224-P259 HydrophobicContact CD2-CG 4.03Å; L224-P259 HydrophobicContact CG-CB 3.89Å; L224-P259 HydrophobicContact CG-CG 4.13Å; L224-F263 HydrophobicContact CD1-CE2 3.7Å; L224-F263 HydrophobicContact CD1-CZ 4.45Å; L224-F263 HydrophobicContact CD2-CD2 3.94Å; L224-F263 HydrophobicContact CD2-CE2 3.79Å; L224-F263 HydrophobicContact CG-CE2 4.39Å; L224-I307 HydrophobicContact CD1-CB 4.41Å; L224-I307 HydrophobicContact CD1-CG2 4.09Å; L224-I307 HydrophobicContact CG-CG2 3.99Å; L224-K308 PolarHBondContact N-O 2.68Å; L224-F310 HydrophobicContact CD1-CB 3.82Å; L224-F310 HydrophobicContact CD1-CD2 3.56Å; L224-F310 HydrophobicContact CD1-CG 4.09Å
225S90.1Very high85.7Confident7 Ų770.6 Ų70.65%0.04934%0.342CS..  trans-80.6151.9173.5-174.50000110.5N227 D231 R313S225-N227 PolarHBondContact OG-N 3.09Å; S225-N227 PolarHBondContact OG-O 3.01Å; S225-D231 WeakPolarHBondContact CB-OD2 3.41Å; S225-D231 PolarHBondContact OG-OD1 2.8Å; S225-D231 PolarHBondContact OG-OD2 2.96Å; S225-R313 PolarHBondContact O-NH1 3.34Å
226L87.7Confident84.1Confident75 Ų7570.5 Ų70.539%0.39335%0.346SS..SBendtrans-76-33.9167.7-70.2174.8000111.8E312 R313L226-E312 HydrophobicContact CD2-CB 3.95Å; L226-R313 HydrophobicContact CD2-CB 4.32Å
227N85.1Confident82.7Confident86 Ų8677.3 Ų77.346%0.4638%0.375SS..  trans-135.887.5-177-71.6-50.3000109.7S225 Q229 K230 D231S225-N227 PolarHBondContact OG-N 3.09Å; S225-N227 PolarHBondContact OG-O 3.01Å; N227-Q229 PolarHBondContact O-N 2.87Å; N227-Q229 VanDerWaalsContact O-N 3.15Å; N227-K230 HydrophobicContact CB-CB 4.12Å; N227-K230 HydrophobicContact CB-CD 4.06Å; N227-K230 HydrophobicContact CB-CG 4.05Å; N227-K230 PolarHBondContact O-N 3.37Å; N227-D231 PolarHBondContact O-N 2.71Å
228P78.9Confident81.5Confident23 Ų2384.5 Ų84.515%0.14941%0.407CS..Hα-helixtrans-59.1-33-174.821.4-33000112.8K230 D231 E232 E260P228-K230 VanDerWaalsContact C-N 3.31Å; P228-K230 PolarHBondContact O-N 2.99Å; P228-D231 PolarHBondContact O-N 3.48Å; P228-E232 WeakPolarHBondContact O-CB 3.4Å; P228-E232 PolarHBondContact O-N 2.93Å; P228-E260 HydrophobicContact CB-CG 4.49Å
229Q81.6Confident80.7Confident148 Ų14885.3 Ų85.369%0.69242%0.415SS*.Hα-helixtrans-63.3-34.8176.9-68.1176.7-20.500113N227N227-Q229 PolarHBondContact O-N 2.87Å; N227-Q229 VanDerWaalsContact O-N 3.15Å
230K81.5Confident80.3Confident130 Ų13086.8 Ų86.857%0.56542%0.422SS*.Hα-helixtrans-75.9-42.8178.7-68.6-172.7178.1-176.20110.8N227 P228 E232 T233 L234N227-K230 HydrophobicContact CB-CB 4.12Å; N227-K230 HydrophobicContact CB-CD 4.06Å; N227-K230 HydrophobicContact CB-CG 4.05Å; N227-K230 PolarHBondContact O-N 3.37Å; P228-K230 VanDerWaalsContact C-N 3.31Å; P228-K230 PolarHBondContact O-N 2.99Å; K230-E232 PolarHBondContact O-N 3.07Å; K230-T233 PolarHBondContact O-N 3.22Å; K230-T233 VanDerWaalsContact O-N 3.13Å; K230-T233 PolarHBondContact O-OG1 3.15Å; K230-L234 WeakPolarHBondContact O-CG 3.27Å; K230-L234 PolarHBondContact O-N 2.94Å; K230-L234 VanDerWaalsContact O-N 3.1Å
231D79.8Confident80.1Confident34 Ų3479.9 Ų79.918%0.18240%0.397CS..Hα-helixtrans-66.5-24.7178.4-75.319.5000112.4S225 N227 P228 T236 F256S225-D231 WeakPolarHBondContact CB-OD2 3.41Å; S225-D231 PolarHBondContact OG-OD1 2.8Å; S225-D231 PolarHBondContact OG-OD2 2.96Å; N227-D231 PolarHBondContact O-N 2.71Å; P228-D231 PolarHBondContact O-N 3.48Å; D231-T236 PolarHBondContact O-OG1 3.32Å; D231-F256 HydrophobicContact CB-CE2 4.3Å; D231-F256 HydrophobicContact CB-CZ 4.3Å
232E76.7Confident80Confident113 Ų11383.6 Ų83.653%0.52842%0.418SS..Hα-helixtrans-73.8-30.9173.8-174.1162.1-13900113.1P228 K230 R257P228-E232 WeakPolarHBondContact O-CB 3.4Å; P228-E232 PolarHBondContact O-N 2.93Å; K230-E232 PolarHBondContact O-N 3.07Å; E232-R257 IonicContact OE1-CZ 2.78Å; E232-R257 IonicContact OE1-NE 3.89Å; E232-R257 IonicContact OE1-NH2 3.72Å; E232-R257 PolarHBondContact OE1-NH2 2.9Å
233T74.5Confident79.9Confident118 Ų11884.2 Ų84.272%0.72442%0.42SS*.Hα-helixtrans-81.9-25.7176.456.50000113.7K230 E235K230-T233 PolarHBondContact O-N 3.22Å; K230-T233 VanDerWaalsContact O-N 3.13Å; K230-T233 PolarHBondContact O-OG1 3.15Å; T233-E235 PolarHBondContact O-N 2.95Å
234L74.3Confident79.5Confident111 Ų11187.1 Ų87.158%0.58145%0.445SS*.SBendtrans-79.6119.2173.6-70163.4000107.3K230 T236K230-L234 WeakPolarHBondContact O-CG 3.27Å; K230-L234 PolarHBondContact O-N 2.94Å; K230-L234 VanDerWaalsContact O-N 3.1Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 2.89Å; L234-T236 PolarHBondContact O-OG1 3.2Å
235E60.5Low79.1Confident196 Ų19692.7 Ų92.792%0.91648%0.475SS*.  trans-58.798.1175.7-162.3173.1-156.600108.1T233 E237T233-E235 PolarHBondContact O-N 2.95Å; E235-E237 PolarHBondContact O-N 3.01Å
236T60.6Low78.9Confident33 Ų3394.9 Ų94.920%0.20250%0.499CS..  trans-67.8124.7-169.5-520000108D231 L234 K238 F256D231-T236 PolarHBondContact O-OG1 3.32Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 2.89Å; L234-T236 PolarHBondContact O-OG1 3.2Å; T236-K238 PolarHBondContact O-N 2.78Å; T236-F256 HydrophobicContact CG2-CE1 4.49Å
237E62.8Low79Confident173 Ų17393.8 Ų93.881%0.80850%0.497SS*.  trans-50.1119172.1-68.5-178.316600109.3E235 A239E235-E237 PolarHBondContact O-N 3.01Å; E237-A239 PolarHBondContact O-N 3.01Å
238K67.8Low79.2Confident152 Ų15293.6 Ų93.666%0.66150%0.499SS*.  trans-65.2102.7179.8-67.2179.2-177.3176.60108T236 Q240T236-K238 PolarHBondContact O-N 2.78Å; K238-Q240 PolarHBondContact O-N 2.97Å
239A78Confident79.7Confident29 Ų2992.5 Ų92.524%0.2449%0.492CS..EExtended strand (participates in β ladder)trans-71.2123.4175.900000108.7E237 I251E237-A239 PolarHBondContact O-N 3.01Å; A239-I251 PolarHBondContact N-O 3.48Å; A239-I251 PolarHBondContact O-N 3.32Å
240Q84.6Confident79.9Confident144 Ų14488.2 Ų88.267%0.67347%0.474SS*.EExtended strand (participates in β ladder)trans-82.1137.6175.7-58.9-168.4-9.800110.1K238 L249 N250K238-Q240 PolarHBondContact O-N 2.97Å; Q240-L249 CarbonylContact C-O 3.59Å; Q240-N250 WeakPolarHBondContact CG-OD1 3.49Å
241Y87.1Confident80.1Confident28 Ų2882.1 Ų82.111%0.1145%0.448CS..EExtended strand (participates in β ladder)trans-127.3129.8174.9-177.1-90.7000109.8T216 I217 R220 L243 L249 I251T216-Y241 WeakPolarHBondContact CG2-OH 3.3Å; I217-Y241 HydrophobicContact CD1-CD1 4.27Å; I217-Y241 HydrophobicContact CD1-CE1 4.27Å; I217-Y241 HydrophobicContact CG1-CD1 3.76Å; I217-Y241 HydrophobicContact CG1-CE1 3.56Å; I217-Y241 HydrophobicContact CG1-CE2 4.4Å; I217-Y241 HydrophobicContact CG1-CG 4.28Å; R220-Y241 HydrophobicContact CB-CE2 4.27Å; Y241-L243 HydrophobicContact CD1-CD2 4.2Å; Y241-L243 HydrophobicContact CE1-CD2 4.22Å; Y241-L249 PolarHBondContact N-O 3.08Å; Y241-L249 PolarHBondContact O-N 2.76Å; Y241-I251 HydrophobicContact CD2-CD1 4.49Å; Y241-I251 HydrophobicContact CG-CD1 4.08Å
242V90.1Very high80.3Confident92 Ų9280.8 Ų80.856%0.55844%0.443SS*.EExtended strand (participates in β ladder)trans-87.6121.2177.8-174.60000109.1T248V242-T248 HydrophobicContact CG2-CG2 4.22Å
243L88.9Confident80.8Confident19 Ų1977 Ų7710%0.09943%0.427CS..  trans-75.6161.7175.9-70.9174.4000111.1F205 V213 I217 Y241 D245 G246 S247 L249F205-L243 HydrophobicContact CE1-CD2 4.41Å; F205-L243 HydrophobicContact CZ-CD1 4.45Å; F205-L243 HydrophobicContact CZ-CD2 4.26Å; V213-L243 HydrophobicContact CG1-CD2 3.69Å; I217-L243 HydrophobicContact CD1-CD2 4.16Å; Y241-L243 HydrophobicContact CD1-CD2 4.2Å; Y241-L243 HydrophobicContact CE1-CD2 4.22Å; L243-D245 WeakPolarHBondContact CB-OD1 3.21Å; L243-D245 PolarHBondContact O-N 3.04Å; L243-D245 VanDerWaalsContact O-N 3.12Å; L243-G246 PolarHBondContact O-N 2.85Å; L243-S247 WeakPolarHBondContact CB-O 3.15Å; L243-S247 VanDerWaalsContact CD1-OG 3.28Å; L243-S247 WeakPolarHBondContact CD1-OG 3.43Å; L243-S247 PolarHBondContact N-O 3.29Å; L243-L249 HydrophobicContact CD1-CB 4.29Å; L243-L249 HydrophobicContact CD2-CD2 4.48Å; L243-L249 HydrophobicContact CG-CB 4.2Å
244P85.7Confident81.6Confident111 Ų11171.4 Ų71.472%0.72139%0.394SS*.THydrogen-bonded Turntrans-60-21.6179.7-24.935.2000114.8V213 G246V213-P244 HydrophobicContact CG1-CG 4.39Å; V213-P244 HydrophobicContact CG2-CG 4.22Å; P244-G246 VanDerWaalsContact C-N 3.28Å
245D84.6Confident82.3Confident124 Ų12468.9 Ų68.966%0.66338%0.376SS*.THydrogen-bonded Turntrans-82.9-2.2175.163.6-2.6000113.4L243 S247L243-D245 WeakPolarHBondContact CB-OD1 3.21Å; L243-D245 PolarHBondContact O-N 3.04Å; L243-D245 VanDerWaalsContact O-N 3.12Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact CG-OG 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.4Å; D245-S247 PolarHBondContact OD1-N 3.28Å; D245-S247 PolarHBondContact OD1-OG 3.33Å; D245-S247 PolarHBondContact OD2-OG 3.13Å
246G87.2Confident83.8Confident54 Ų5459.8 Ų59.856%0.55733%0.334SS*.SBendtrans87-4.4-177.200000114.5L243 P244L243-G246 PolarHBondContact O-N 2.85Å; P244-G246 VanDerWaalsContact C-N 3.28Å
247S89.3Confident85.3Confident51 Ų5162.1 Ų62.136%0.35734%0.339SS..PPolyproline II helixtrans-74.2149.917768.90000111.6L243 D245L243-S247 WeakPolarHBondContact CB-O 3.15Å; L243-S247 VanDerWaalsContact CD1-OG 3.28Å; L243-S247 WeakPolarHBondContact CD1-OG 3.43Å; L243-S247 PolarHBondContact N-O 3.29Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact CG-OG 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.4Å; D245-S247 PolarHBondContact OD1-N 3.28Å; D245-S247 PolarHBondContact OD1-OG 3.33Å; D245-S247 PolarHBondContact OD2-OG 3.13Å
248T88.8Confident86.8Confident82 Ų8253.9 Ų53.950%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-98.8124.3179.747.80000111.4V242V242-T248 HydrophobicContact CG2-CG2 4.22Å
249L88.9Confident88.1Confident0 Ų046.7 Ų46.70%027%0.269CS..EExtended strand (participates in β ladder)trans-100.6123.2176.3178.273.2000109.6L198 Y203 I217 Q240 Y241 L243 I251L198-L249 HydrophobicContact CD2-CD2 4.26Å; Y203-L249 HydrophobicContact CD1-CD1 3.31Å; Y203-L249 HydrophobicContact CD2-CD1 3.35Å; Y203-L249 HydrophobicContact CE1-CD1 3.44Å; Y203-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y203-L249 HydrophobicContact CE2-CD1 3.49Å; Y203-L249 VanDerWaalsContact CE2-CD1 3.49Å; Y203-L249 HydrophobicContact CG-CD1 3.25Å; I217-L249 HydrophobicContact CD1-CD2 3.6Å; Q240-L249 CarbonylContact C-O 3.59Å; Y241-L249 PolarHBondContact N-O 3.08Å; Y241-L249 PolarHBondContact O-N 2.76Å; L243-L249 HydrophobicContact CD1-CB 4.29Å; L243-L249 HydrophobicContact CD2-CD2 4.48Å; L243-L249 HydrophobicContact CG-CB 4.2Å; L249-I251 HydrophobicContact CD2-CD1 4.31Å; L249-I251 HydrophobicContact CD2-CG1 3.86Å; L249-I251 HydrophobicContact CG-CG1 4.05Å; L249-I251 PolarHBondContact O-N 3.12Å
250N87.4Confident88.9Confident58 Ų5845.7 Ų45.731%0.3126%0.259SS..EExtended strand (participates in β ladder)trans-85.5108.7171.7-72.3-41.3000110.1Q240 G252Q240-N250 WeakPolarHBondContact CG-OD1 3.49Å; N250-G252 PolarHBondContact O-N 2.91Å
251I83.9Confident89.4Confident2 Ų238.9 Ų38.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-94.596.3176.3-49.3168.4000107.7I217 A221 A239 Y241 L249 R255I217-I251 HydrophobicContact CG2-CD1 3.37Å; I217-I251 HydrophobicContact CG2-CG1 4.36Å; A221-I251 HydrophobicContact CB-CD1 3.64Å; A239-I251 PolarHBondContact N-O 3.48Å; A239-I251 PolarHBondContact O-N 3.32Å; Y241-I251 HydrophobicContact CD2-CD1 4.49Å; Y241-I251 HydrophobicContact CG-CD1 4.08Å; L249-I251 HydrophobicContact CD2-CD1 4.31Å; L249-I251 HydrophobicContact CD2-CG1 3.86Å; L249-I251 HydrophobicContact CG-CG1 4.05Å; L249-I251 PolarHBondContact O-N 3.12Å; I251-R255 HydrophobicContact CG2-CB 3.81Å
252G84.5Confident89.8Confident7 Ų737.6 Ų37.67%0.07222%0.222CC..  trans-78-127.2174.800000112N250 A254 R255N250-G252 PolarHBondContact O-N 2.91Å; G252-A254 PolarHBondContact O-N 3.16Å; G252-A254 VanDerWaalsContact O-N 3.15Å; G252-R255 WeakPolarHBondContact O-CG 3.25Å; G252-R255 PolarHBondContact O-N 3.29Å
253P87.9Confident90.1Very high32 Ų3233.4 Ų33.421%0.20820%0.197CC..THydrogen-bonded Turntrans-69.8-14.1-173.129.2-35.9000114.2R255 F256 R257P253-R255 PolarHBondContact O-N 2.98Å; P253-R255 VanDerWaalsContact O-N 3.1Å; P253-F256 VanDerWaalsContact CA-CE1 3.5Å; P253-F256 HydrophobicContact CB-CE1 3.67Å; P253-F256 HydrophobicContact CB-CZ 3.86Å; P253-F256 WeakPolarHBondContact O-CD1 3.39Å; P253-F256 PolarHBondContact O-N 2.91Å; P253-R257 WeakPolarHBondContact O-CB 3.49Å; P253-R257 WeakPolarHBondContact O-CG 3.47Å; P253-R257 PolarHBondContact O-N 2.99Å; P253-R257 VanDerWaalsContact O-N 3.08Å
254A90Very high90.3Very high2 Ų238.4 Ų38.42%0.01721%0.214CC..Hα-helixtrans-56.2-28.717800000113L194 L197 G252 F256 A258L194-A254 HydrophobicContact CD1-CB 4.01Å; L197-A254 HydrophobicContact CB-CB 3.91Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; G252-A254 PolarHBondContact O-N 3.16Å; G252-A254 VanDerWaalsContact O-N 3.15Å; A254-F256 PolarHBondContact O-N 3.32Å; A254-A258 VanDerWaalsContact O-CB 3.22Å; A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.1Å
255R90Very high90.7Very high58 Ų5833.3 Ų33.322%0.21918%0.181CC..Hα-helixtrans-63.3-35.4-178.167.9-170.7-64.2-145.7-10.1114.3A221 C222 Y223 I251 G252 P253 P259A221-R255 PolarHBondContact O-NE 3.06Å; A221-R255 VanDerWaalsContact O-NE 3.1Å; A221-R255 PolarHBondContact O-NH2 3.22Å; C222-R255 VanDerWaalsContact CA-O 3.24Å; C222-R255 WeakPolarHBondContact CA-O 3.33Å; C222-R255 VanDerWaalsContact CB-O 3.24Å; C222-R255 WeakPolarHBondContact CB-O 3.38Å; C222-R255 PolarHBondContact SG-O 2.73Å; Y223-R255 HydrophobicContact CD1-CG 4.12Å; Y223-R255 HydrophobicContact CE1-CG 3.64Å; Y223-R255 VanDerWaalsContact CE1-NE 3.28Å; Y223-R255 PolarHBondContact N-O 3.27Å; I251-R255 HydrophobicContact CG2-CB 3.81Å; G252-R255 WeakPolarHBondContact O-CG 3.25Å; G252-R255 PolarHBondContact O-N 3.29Å; P253-R255 PolarHBondContact O-N 2.98Å; P253-R255 VanDerWaalsContact O-N 3.1Å; R255-P259 VanDerWaalsContact O-CD 3.29Å; R255-P259 WeakPolarHBondContact O-CD 3.16Å
256F91.1Very high91.2Very high4 Ų432.8 Ų32.82%0.01818%0.179CC..Hα-helixtrans-100.9-28.9178.170.2-97.6000112.1Y223 D231 T236 P253 A254 P259 E260Y223-F256 HydrophobicContact CD2-CB 4.43Å; Y223-F256 HydrophobicContact CE1-CB 4.18Å; Y223-F256 HydrophobicContact CE2-CB 3.95Å; Y223-F256 WeakPolarHBondContact O-CA 3.36Å; D231-F256 HydrophobicContact CB-CE2 4.3Å; D231-F256 HydrophobicContact CB-CZ 4.3Å; T236-F256 HydrophobicContact CG2-CE1 4.49Å; P253-F256 VanDerWaalsContact CA-CE1 3.5Å; P253-F256 HydrophobicContact CB-CE1 3.67Å; P253-F256 HydrophobicContact CB-CZ 3.86Å; P253-F256 WeakPolarHBondContact O-CD1 3.39Å; P253-F256 PolarHBondContact O-N 2.91Å; A254-F256 PolarHBondContact O-N 3.32Å; F256-P259 VanDerWaalsContact O-CD 3.32Å; F256-P259 WeakPolarHBondContact O-CD 3.39Å; F256-P259 WeakPolarHBondContact O-CG 3.37Å; F256-E260 WeakPolarHBondContact O-CG 3.49Å
257R92.2Very high91.4Very high83 Ų8333.9 Ų33.931%0.31317%0.171SC..Hα-helixtrans-65.9-37.9174.6-72.1-179.8175.5162.8-1.7113Y193 L197 E232 P253 E260Y193-R257 WeakPolarHBondContact CE1-O 3.48Å; L197-R257 HydrophobicContact CD1-CB 3.89Å; E232-R257 IonicContact OE1-CZ 2.78Å; E232-R257 IonicContact OE1-NE 3.89Å; E232-R257 IonicContact OE1-NH2 3.72Å; E232-R257 PolarHBondContact OE1-NH2 2.9Å; P253-R257 WeakPolarHBondContact O-CB 3.49Å; P253-R257 WeakPolarHBondContact O-CG 3.47Å; P253-R257 PolarHBondContact O-N 2.99Å; P253-R257 VanDerWaalsContact O-N 3.08Å; R257-E260 PolarHBondContact O-N 3.05Å
258A94.3Very high91.6Very high0 Ų035.1 Ų35.10%017%0.173CC..THydrogen-bonded Turntrans-59.7-52.5-178.300000113.7V190 L194 L197 A254 E260 L261V190-A258 HydrophobicContact CG1-CB 4.37Å; L194-A258 HydrophobicContact CB-CB 3.83Å; L194-A258 HydrophobicContact CD1-CB 3.84Å; L194-A258 HydrophobicContact CG-CB 4.35Å; L197-A258 HydrophobicContact CD1-CB 4.23Å; A254-A258 VanDerWaalsContact O-CB 3.22Å; A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.1Å; A258-E260 VanDerWaalsContact C-N 3.28Å; A258-E260 PolarHBondContact O-N 2.81Å; A258-L261 VanDerWaalsContact O-CB 3.26Å; A258-L261 WeakPolarHBondContact O-CB 3.27Å; A258-L261 PolarHBondContact O-N 2.77Å
259P95.3Very high91.7Very high0 Ų034.4 Ų34.40%018%0.182CC..G310 helixtrans-73-15.9-17930.6-38.5000114.3C222 Y223 L224 R255 F256 L261 L262 I307C222-P259 HydrophobicContact CB-CG 4.35Å; Y223-P259 VanDerWaalsContact O-CG 3.27Å; Y223-P259 WeakPolarHBondContact O-CG 3.45Å; L224-P259 HydrophobicContact CD2-CB 3.77Å; L224-P259 HydrophobicContact CD2-CG 4.03Å; L224-P259 HydrophobicContact CG-CB 3.89Å; L224-P259 HydrophobicContact CG-CG 4.13Å; R255-P259 VanDerWaalsContact O-CD 3.29Å; R255-P259 WeakPolarHBondContact O-CD 3.16Å; F256-P259 VanDerWaalsContact O-CD 3.32Å; F256-P259 WeakPolarHBondContact O-CD 3.39Å; F256-P259 WeakPolarHBondContact O-CG 3.37Å; P259-L261 PolarHBondContact O-N 3.41Å; P259-L261 VanDerWaalsContact O-N 3.12Å; P259-L262 PolarHBondContact O-N 2.84Å; P259-L262 VanDerWaalsContact O-N 3.12Å; P259-I307 HydrophobicContact CB-CD1 3.93Å; P259-I307 HydrophobicContact CB-CG2 4.21Å; P259-I307 HydrophobicContact CG-CG2 4.49Å
260E94.4Very high91.9Very high9 Ų936.9 Ų36.94%0.04220%0.195CC..G310 helixtrans-59.1-20.7171.4-73.1-72.2149.100112.1P228 F256 R257 A258 L262 F263 R264 L267 R313P228-E260 HydrophobicContact CB-CG 4.49Å; F256-E260 WeakPolarHBondContact O-CG 3.49Å; R257-E260 PolarHBondContact O-N 3.05Å; A258-E260 VanDerWaalsContact C-N 3.28Å; A258-E260 PolarHBondContact O-N 2.81Å; E260-L262 PolarHBondContact O-N 3.21Å; E260-L262 VanDerWaalsContact O-N 3.17Å; E260-F263 CarbonylContact O-C 3.54Å; E260-F263 PolarHBondContact O-N 3.27Å; E260-R264 PolarHBondContact O-N 3.06Å; E260-L267 HydrophobicContact CB-CD1 4.19Å; E260-R313 IonicContact OE1-CZ 3.75Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 3.17Å; E260-R313 IonicContact OE1-NH2 2.66Å; E260-R313 IonicContact OE2-CZ 2.68Å; E260-R313 IonicContact OE2-NH1 3.81Å; E260-R313 PolarHBondContact OE2-NH1 3.27Å; E260-R313 IonicContact OE2-NH2 3.64Å; E260-R313 PolarHBondContact OE2-NH2 3.08Å
261L95.7Very high92.1Very high0 Ų043 Ų430%022%0.222CC..G310 helixtrans-51.6-36172.417961.8000113.3I185 D189 V190 Y193 A258 P259 F263 R264 L267 I268I185-L261 HydrophobicContact CG2-CG 4.18Å; D189-L261 HydrophobicContact CB-CD2 4.01Å; D189-L261 WeakPolarHBondContact O-CD2 3.29Å; V190-L261 HydrophobicContact CG2-CB 4.34Å; V190-L261 HydrophobicContact CG2-CD2 4.24Å; Y193-L261 HydrophobicContact CD1-CB 4.08Å; Y193-L261 HydrophobicContact CD1-CD2 4.37Å; Y193-L261 HydrophobicContact CG-CD2 4.34Å; A258-L261 VanDerWaalsContact O-CB 3.26Å; A258-L261 WeakPolarHBondContact O-CB 3.27Å; A258-L261 PolarHBondContact O-N 2.77Å; P259-L261 PolarHBondContact O-N 3.41Å; P259-L261 VanDerWaalsContact O-N 3.12Å; L261-F263 PolarHBondContact O-N 3.48Å; L261-R264 CarbonylContact O-C 3.57Å; L261-R264 VanDerWaalsContact O-C 3.32Å; L261-R264 PolarHBondContact O-N 2.7Å; L261-L267 HydrophobicContact CD1-CB 4.41Å; L261-I268 HydrophobicContact CD1-CB 4.21Å; L261-I268 HydrophobicContact CD1-CD1 3.92Å; L261-I268 HydrophobicContact CD1-CG1 3.71Å; L261-I268 HydrophobicContact CD1-CG2 3.63Å; L261-I268 HydrophobicContact CD2-CD1 4.49Å; L261-I268 HydrophobicContact CD2-CG2 4.2Å
262L95.8Very high92.5Very high1 Ų144.9 Ų44.91%0.00524%0.235CC..G310 helixtrans-65.3-29.2178.7-62.5175.4000111.9I185 V190 P259 E260 I275 I307 F310I185-L262 HydrophobicContact CG2-CD2 4.29Å; V190-L262 HydrophobicContact CG2-CD1 4.3Å; V190-L262 HydrophobicContact CG2-CD2 3.74Å; V190-L262 HydrophobicContact CG2-CG 3.74Å; P259-L262 PolarHBondContact O-N 2.84Å; P259-L262 VanDerWaalsContact O-N 3.12Å; E260-L262 PolarHBondContact O-N 3.21Å; E260-L262 VanDerWaalsContact O-N 3.17Å; L262-I275 HydrophobicContact CB-CD1 4.07Å; L262-I275 HydrophobicContact CB-CG1 4.38Å; L262-I275 HydrophobicContact CB-CG2 4.28Å; L262-I275 WeakPolarHBondContact O-CG1 3.38Å; L262-I275 WeakPolarHBondContact O-CG2 3.46Å; L262-I275 PolarHBondContact O-N 3Å; L262-I307 HydrophobicContact CD1-CD1 4.37Å; L262-F310 HydrophobicContact CD1-CE2 4.1Å
263F95.1Very high93Very high5 Ų546.5 Ų46.52%0.02225%0.246CC..THydrogen-bonded Turntrans-96.1-26.3179.2-67.1-95.7000112.5L224 E260 L261 I275 H276 R313 L314 E317L224-F263 HydrophobicContact CD1-CE2 3.7Å; L224-F263 HydrophobicContact CD1-CZ 4.45Å; L224-F263 HydrophobicContact CD2-CD2 3.94Å; L224-F263 HydrophobicContact CD2-CE2 3.79Å; L224-F263 HydrophobicContact CG-CE2 4.39Å; E260-F263 CarbonylContact O-C 3.54Å; E260-F263 PolarHBondContact O-N 3.27Å; L261-F263 PolarHBondContact O-N 3.48Å; F263-I275 HydrophobicContact CD1-CG1 4.19Å; F263-I275 HydrophobicContact CD2-CD1 4.37Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 4.09Å; F263-I275 HydrophobicContact CE1-CG1 4.04Å; F263-I275 HydrophobicContact CE2-CD1 3.83Å; F263-I275 HydrophobicContact CE2-CG1 4.35Å; F263-I275 HydrophobicContact CG-CG1 4.41Å; F263-I275 HydrophobicContact CZ-CD1 3.68Å; F263-I275 HydrophobicContact CZ-CG1 4.13Å; F263-H276 HydrophobicContact CD1-CB 4.18Å; F263-H276 AromaticContact CD1-CG 4Å; F263-H276 AromaticContact CD1-ND1 3.52Å; F263-H276 HydrophobicContact CE1-CB 4.22Å; F263-H276 PolarHBondContact O-CE1 3.48Å; F263-H276 VanDerWaalsContact O-CE1 3.27Å; F263-R313 HydrophobicContact CD1-CG 4.26Å; F263-R313 HydrophobicContact CE1-CG 3.78Å; F263-R313 HydrophobicContact CE2-CG 4.08Å; F263-R313 HydrophobicContact CZ-CB 4.19Å; F263-R313 HydrophobicContact CZ-CG 3.67Å; F263-L314 HydrophobicContact CE1-CD1 4.34Å; F263-L314 HydrophobicContact CZ-CB 4.48Å; F263-E317 HydrophobicContact CD1-CG 4.16Å; F263-E317 HydrophobicContact CE1-CG 4.3Å
264R94.3Very high93.3Very high124 Ų12445.1 Ų45.147%0.46824%0.237SC..  trans-132.783.4179-68-175.3178.5172.6-0.6110.9E260 L261 D266 L267E260-R264 PolarHBondContact O-N 3.06Å; L261-R264 CarbonylContact O-C 3.57Å; L261-R264 VanDerWaalsContact O-C 3.32Å; L261-R264 PolarHBondContact O-N 2.7Å; R264-D266 PolarHBondContact O-N 3.24Å; R264-L267 HydrophobicContact CB-CD1 4.24Å; R264-L267 HydrophobicContact CB-CG 4.17Å; R264-L267 WeakPolarHBondContact O-CG 3.42Å; R264-L267 PolarHBondContact O-N 3.44Å
265P94.8Very high93.6Very high3 Ų345.2 Ų45.22%0.01924%0.237CC..G310 helixtrans-53.2-27.7170.9-3545.1000114.7I185 L267 I268 D270 S272I185-P265 HydrophobicContact CD1-CB 3.35Å; I185-P265 HydrophobicContact CD1-CG 3.42Å; I185-P265 VanDerWaalsContact CD1-CG 3.42Å; P265-L267 PolarHBondContact O-N 3.31Å; P265-I268 WeakPolarHBondContact O-CG1 3.5Å; P265-I268 PolarHBondContact O-N 3.11Å; P265-I268 VanDerWaalsContact O-N 3.07Å; P265-D270 CarbonylContact C-O 3.59Å; P265-D270 HydrophobicContact CB-CB 4.25Å; P265-D270 WeakPolarHBondContact CB-O 3.29Å; P265-D270 PolarHBondContact O-N 2.77Å; P265-S272 VanDerWaalsContact CB-O 3.24Å; P265-S272 WeakPolarHBondContact CB-O 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.46Å
266D94.3Very high93.9Very high114 Ų11443.3 Ų43.361%0.6123%0.231SC*.G310 helixtrans-55.7-24.2-179.4-48.4-86000113.3R264 I268 G269 D270R264-D266 PolarHBondContact O-N 3.24Å; D266-I268 PolarHBondContact O-N 2.89Å; D266-G269 PolarHBondContact O-N 2.96Å; D266-D270 PolarHBondContact N-O 3.2Å
267L92.3Very high94.1Very high77 Ų7746 Ų4640%0.40324%0.244SC..G310 helixtrans-61.6-25.5179.6-66.1176.4000113.8Y193 E260 L261 R264 P265Y193-L267 HydrophobicContact CE1-CB 4.44Å; Y193-L267 HydrophobicContact CE1-CD1 4.22Å; E260-L267 HydrophobicContact CB-CD1 4.19Å; L261-L267 HydrophobicContact CD1-CB 4.41Å; R264-L267 HydrophobicContact CB-CD1 4.24Å; R264-L267 HydrophobicContact CB-CG 4.17Å; R264-L267 WeakPolarHBondContact O-CG 3.42Å; R264-L267 PolarHBondContact O-N 3.44Å; P265-L267 PolarHBondContact O-N 3.31Å
268I92.3Very high94.3Very high76 Ų7642.2 Ų42.239%0.3923%0.229SC..G310 helixtrans-104.26.117461.6169.5000112.4Y193 L261 P265 D266 D270Y193-I268 HydrophobicContact CD2-CG2 3.79Å; Y193-I268 HydrophobicContact CE2-CG2 4.39Å; Y193-I268 HydrophobicContact CG-CG2 4.1Å; L261-I268 HydrophobicContact CD1-CB 4.21Å; L261-I268 HydrophobicContact CD1-CD1 3.92Å; L261-I268 HydrophobicContact CD1-CG1 3.71Å; L261-I268 HydrophobicContact CD1-CG2 3.63Å; L261-I268 HydrophobicContact CD2-CD1 4.49Å; L261-I268 HydrophobicContact CD2-CG2 4.2Å; P265-I268 WeakPolarHBondContact O-CG1 3.5Å; P265-I268 PolarHBondContact O-N 3.11Å; P265-I268 VanDerWaalsContact O-N 3.07Å; D266-I268 PolarHBondContact O-N 2.89Å; I268-D270 HydrophobicContact CD1-CB 4.02Å; I268-D270 HydrophobicContact CG1-CB 3.85Å
269G91.2Very high94.4Very high68 Ų6842.2 Ų42.270%0.70123%0.229SC*.THydrogen-bonded Turntrans75.122.7-174.500000113.8D266D266-G269 PolarHBondContact O-N 2.96Å
270D92.3Very high94.4Very high52 Ų5242.3 Ų42.328%0.27823%0.23SC..  trans-95.4126.1172.5-170.7-15.4000109I185 P265 D266 I268 S272I185-D270 HydrophobicContact CD1-CB 4.37Å; I185-D270 WeakPolarHBondContact CD1-OD2 3.32Å; P265-D270 CarbonylContact C-O 3.59Å; P265-D270 HydrophobicContact CB-CB 4.25Å; P265-D270 WeakPolarHBondContact CB-O 3.29Å; P265-D270 PolarHBondContact O-N 2.77Å; D266-D270 PolarHBondContact N-O 3.2Å; I268-D270 HydrophobicContact CD1-CB 4.02Å; I268-D270 HydrophobicContact CG1-CB 3.85Å; D270-S272 PolarHBondContact O-N 3Å; D270-S272 VanDerWaalsContact OD1-CB 3.27Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 3.2Å; D270-S272 PolarHBondContact OD1-OG 3.5Å; D270-S272 PolarHBondContact OD2-OG 3.18Å
271E92.7Very high94.5Very high186 Ų18646.7 Ų46.787%0.86925%0.247SC*.  trans-83.27.8-179.4-61.4-175.6166.200112.7
272S92Very high94.5Very high41 Ų4146.7 Ų46.729%0.28725%0.247SC..PPolyproline II helixtrans-62.5151.3175-64.20000112.5P265 D270P265-S272 VanDerWaalsContact CB-O 3.24Å; P265-S272 WeakPolarHBondContact CB-O 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.46Å; D270-S272 PolarHBondContact O-N 3Å; D270-S272 VanDerWaalsContact OD1-CB 3.27Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 3.2Å; D270-S272 PolarHBondContact OD1-OG 3.5Å; D270-S272 PolarHBondContact OD2-OG 3.18Å
273S94.4Very high94.5Very high42 Ų4246.6 Ų46.629%0.29425%0.247SC..PPolyproline II helixtrans-70.7147174.3-59.70000112.5E277S273-E277 WeakPolarHBondContact CA-OE2 3.32Å; S273-E277 WeakPolarHBondContact CB-OE2 3.48Å
274G95.4Very high94.5Very high2 Ų250.3 Ų50.32%0.02126%0.264CS..PPolyproline II helixtrans-69.6158.6174.700000112.6H276 E277 V278G274-H276 PolarHBondContact O-N 3.23Å; G274-E277 PolarHBondContact N-OE2 2.83Å; G274-E277 WeakPolarHBondContact O-CB 3.45Å; G274-E277 PolarHBondContact O-N 3.06Å; G274-V278 VanDerWaalsContact O-CG2 3.25Å; G274-V278 WeakPolarHBondContact O-CG2 3.31Å; G274-V278 PolarHBondContact O-N 3.41Å
275I96.3Very high94.6Very high5 Ų549.8 Ų49.83%0.02627%0.265CS..Hα-helixtrans-55.9-30.1-175.159.9169.3000114.7T165 L262 F263 L279 F310T165-I275 HydrophobicContact CG2-CG2 3.73Å; L262-I275 HydrophobicContact CB-CD1 4.07Å; L262-I275 HydrophobicContact CB-CG1 4.38Å; L262-I275 HydrophobicContact CB-CG2 4.28Å; L262-I275 WeakPolarHBondContact O-CG1 3.38Å; L262-I275 WeakPolarHBondContact O-CG2 3.46Å; L262-I275 PolarHBondContact O-N 3Å; F263-I275 HydrophobicContact CD1-CG1 4.19Å; F263-I275 HydrophobicContact CD2-CD1 4.37Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 4.09Å; F263-I275 HydrophobicContact CE1-CG1 4.04Å; F263-I275 HydrophobicContact CE2-CD1 3.83Å; F263-I275 HydrophobicContact CE2-CG1 4.35Å; F263-I275 HydrophobicContact CG-CG1 4.41Å; F263-I275 HydrophobicContact CZ-CD1 3.68Å; F263-I275 HydrophobicContact CZ-CG1 4.13Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 3.12Å; I275-F310 HydrophobicContact CD1-CD2 4.47Å; I275-F310 HydrophobicContact CD1-CE1 4.4Å; I275-F310 HydrophobicContact CD1-CE2 3.36Å; I275-F310 HydrophobicContact CD1-CZ 3.32Å
276H95.8Very high94.6Very high18 Ų1849.7 Ų49.78%0.08326%0.264CS..Hα-helixtrans-73.9-37.8-18062.5-71.5000112F263 G274 A280 L314 E317F263-H276 HydrophobicContact CD1-CB 4.18Å; F263-H276 AromaticContact CD1-CG 4Å; F263-H276 AromaticContact CD1-ND1 3.52Å; F263-H276 HydrophobicContact CE1-CB 4.22Å; F263-H276 PolarHBondContact O-CE1 3.48Å; F263-H276 VanDerWaalsContact O-CE1 3.27Å; G274-H276 PolarHBondContact O-N 3.23Å; H276-A280 PolarHBondContact O-N 3.09Å; H276-A280 VanDerWaalsContact O-N 3.12Å; H276-L314 HydrophobicContact CB-CD1 3.87Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.37Å
277E96Very high94.6Very high61 Ų6148.8 Ų48.829%0.28526%0.26SS..Hα-helixtrans-70.7-45.6173.8-64.8172.3170.700110.3S273 G274 L279 A280 Y281 L321S273-E277 WeakPolarHBondContact CA-OE2 3.32Å; S273-E277 WeakPolarHBondContact CB-OE2 3.48Å; G274-E277 PolarHBondContact N-OE2 2.83Å; G274-E277 WeakPolarHBondContact O-CB 3.45Å; G274-E277 PolarHBondContact O-N 3.06Å; E277-L279 PolarHBondContact O-N 3.39Å; E277-A280 CarbonylContact O-C 3.57Å; E277-A280 PolarHBondContact O-N 3.09Å; E277-A280 VanDerWaalsContact O-N 3.08Å; E277-Y281 HydrophobicContact CB-CD2 4.2Å; E277-Y281 HydrophobicContact CB-CE2 3.88Å; E277-Y281 WeakPolarHBondContact O-CB 3.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E277-Y281 VanDerWaalsContact O-CG 3.26Å; E277-Y281 PolarHBondContact O-N 3.04Å; E277-L321 HydrophobicContact CG-CD1 4.15Å
278V96.3Very high94.6Very high2 Ų252.1 Ų52.11%0.01228%0.275CS..Hα-helixtrans-54.8-43.4175.8176.40000110.8V167 M181 V183 G274 Y281 A282V167-V278 HydrophobicContact CB-CG1 4.29Å; V167-V278 HydrophobicContact CG2-CG1 3.74Å; M181-V278 HydrophobicContact CB-CG1 3.53Å; M181-V278 HydrophobicContact CG-CG1 4.47Å; V183-V278 HydrophobicContact CG2-CB 4.46Å; V183-V278 HydrophobicContact CG2-CG1 4.19Å; V183-V278 HydrophobicContact CG2-CG2 3.4Å; G274-V278 VanDerWaalsContact O-CG2 3.25Å; G274-V278 WeakPolarHBondContact O-CG2 3.31Å; G274-V278 PolarHBondContact O-N 3.41Å; V278-Y281 PolarHBondContact O-N 2.71Å; V278-A282 WeakPolarHBondContact O-CB 3.3Å; V278-A282 PolarHBondContact O-N 3.28Å
279L96.8Very high94.7Very high0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-63.3-47.1175.7178.962000112.3V156 L158 V167 I275 E277 I283 I298 L314 V318V156-L279 HydrophobicContact CB-CD1 4.43Å; V156-L279 HydrophobicContact CG1-CD1 3.58Å; L158-L279 HydrophobicContact CB-CD1 4.49Å; L158-L279 HydrophobicContact CD2-CD2 4.45Å; V167-L279 HydrophobicContact CG1-CD1 3.65Å; V167-L279 HydrophobicContact CG2-CB 4.26Å; V167-L279 HydrophobicContact CG2-CD1 4.34Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 3.12Å; E277-L279 PolarHBondContact O-N 3.39Å; L279-I283 HydrophobicContact CD1-CD1 4.33Å; L279-I283 HydrophobicContact CG-CD1 4.49Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 3.38Å; L279-I298 HydrophobicContact CD1-CG2 4.33Å; L279-I298 HydrophobicContact CD2-CD1 4.2Å; L279-I298 HydrophobicContact CD2-CG2 4.09Å; L279-L314 HydrophobicContact CD2-CD1 4.09Å; L279-L314 HydrophobicContact CD2-CD2 4.12Å; L279-L314 HydrophobicContact CD2-CG 4.3Å; L279-V318 HydrophobicContact CD2-CG2 3.79Å
280A95.4Very high94.8Very high2 Ų253.4 Ų53.42%0.01727%0.266CS..Hα-helixtrans-63.8-42177.600000111.8H276 E277 I283 Q284 L321H276-A280 PolarHBondContact O-N 3.09Å; H276-A280 VanDerWaalsContact O-N 3.12Å; E277-A280 CarbonylContact O-C 3.57Å; E277-A280 PolarHBondContact O-N 3.09Å; E277-A280 VanDerWaalsContact O-N 3.08Å; A280-I283 PolarHBondContact O-N 2.98Å; A280-Q284 WeakPolarHBondContact O-CB 3.49Å; A280-Q284 VanDerWaalsContact O-CG 3.27Å; A280-Q284 WeakPolarHBondContact O-CG 3.38Å; A280-Q284 PolarHBondContact O-N 3.23Å; A280-L321 HydrophobicContact CB-CB 4.1Å; A280-L321 HydrophobicContact CB-CD1 3.9Å
281Y95.6Very high94.9Very high101 Ų10154.7 Ų54.740%0.39627%0.267SS..Hα-helixtrans-66.3-40.4178.8-68.9-36.7000112.7E277 V278 I283 Q284 K285E277-Y281 HydrophobicContact CB-CD2 4.2Å; E277-Y281 HydrophobicContact CB-CE2 3.88Å; E277-Y281 WeakPolarHBondContact O-CB 3.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E277-Y281 VanDerWaalsContact O-CG 3.26Å; E277-Y281 PolarHBondContact O-N 3.04Å; V278-Y281 PolarHBondContact O-N 2.71Å; Y281-I283 VanDerWaalsContact C-N 3.28Å; Y281-I283 PolarHBondContact O-N 3.38Å; Y281-Q284 PolarHBondContact O-N 3.47Å; Y281-K285 WeakPolarHBondContact O-CB 3.41Å; Y281-K285 WeakPolarHBondContact O-CG 3.44Å; Y281-K285 PolarHBondContact O-N 3.04Å
282A96.6Very high95Very high0 Ų054.7 Ų54.70%026%0.259CS..Hα-helixtrans-58.8-42.3174.100000111.4V167 S179 M181 V278 K285 S286V167-A282 HydrophobicContact CB-CB 3.9Å; V167-A282 HydrophobicContact CG1-CB 3.4Å; V167-A282 VanDerWaalsContact CG1-CB 3.4Å; S179-A282 WeakPolarHBondContact O-CB 3.48Å; M181-A282 HydrophobicContact CB-CB 4.28Å; M181-A282 HydrophobicContact CG-CB 3.67Å; V278-A282 WeakPolarHBondContact O-CB 3.3Å; V278-A282 PolarHBondContact O-N 3.28Å; A282-K285 PolarHBondContact O-N 3.37Å; A282-S286 PolarHBondContact O-N 3.49Å
283I95.8Very high95Very high0 Ų055.4 Ų55.40%026%0.262CS..Hα-helixtrans-69.4-40.7176.5-62.2169.2000110.8V156 L279 A280 Y281 K285 S286 R291 L294 F295V156-I283 HydrophobicContact CG2-CD1 4.11Å; V156-I283 HydrophobicContact CG2-CG1 3.77Å; L279-I283 HydrophobicContact CD1-CD1 4.33Å; L279-I283 HydrophobicContact CG-CD1 4.49Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 3.38Å; A280-I283 PolarHBondContact O-N 2.98Å; Y281-I283 VanDerWaalsContact C-N 3.28Å; Y281-I283 PolarHBondContact O-N 3.38Å; I283-K285 VanDerWaalsContact C-N 3.32Å; I283-K285 PolarHBondContact O-N 3.11Å; I283-S286 PolarHBondContact O-N 2.96Å; I283-S286 PolarHBondContact O-OG 3.16Å; I283-R291 HydrophobicContact CG2-CB 3.95Å; I283-R291 HydrophobicContact CG2-CG 4.19Å; I283-R291 WeakPolarHBondContact O-CG 3.46Å; I283-L294 HydrophobicContact CG1-CB 4.27Å; I283-L294 HydrophobicContact CG2-CB 4.13Å; I283-F295 HydrophobicContact CB-CE1 4.38Å; I283-F295 HydrophobicContact CB-CE2 4.31Å; I283-F295 HydrophobicContact CB-CZ 4.07Å; I283-F295 HydrophobicContact CD1-CD1 3.54Å; I283-F295 HydrophobicContact CD1-CE1 3.55Å; I283-F295 HydrophobicContact CD1-CG 4.09Å; I283-F295 HydrophobicContact CD1-CZ 4.12Å; I283-F295 HydrophobicContact CG2-CD1 4.46Å; I283-F295 HydrophobicContact CG2-CD2 3.71Å; I283-F295 HydrophobicContact CG2-CE1 4.21Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.22Å; I283-F295 HydrophobicContact CG2-CZ 3.67Å
284Q94.4Very high95.1Very high83 Ų8353.4 Ų53.439%0.38825%0.248SC..Hα-helixtrans-68.2-28.8178.2-73.21745.700113.2A280 Y281 S286 R291A280-Q284 WeakPolarHBondContact O-CB 3.49Å; A280-Q284 VanDerWaalsContact O-CG 3.27Å; A280-Q284 WeakPolarHBondContact O-CG 3.38Å; A280-Q284 PolarHBondContact O-N 3.23Å; Y281-Q284 PolarHBondContact O-N 3.47Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-R291 PolarHBondContact O-NE 2.67Å; Q284-R291 PolarHBondContact O-NH2 3.09Å
285K95.4Very high95.1Very high112 Ų11253.6 Ų53.649%0.48725%0.248SC..Hα-helixtrans-70.5-27.5173.3-79.3-175.5175.1-177.70113S179 M181 Y281 A282 I283S179-K285 PolarHBondContact OG-O 3.32Å; M181-K285 HydrophobicContact SD-CD 3.87Å; M181-K285 PolarHBondContact SD-NZ 2.98Å; Y281-K285 WeakPolarHBondContact O-CB 3.41Å; Y281-K285 WeakPolarHBondContact O-CG 3.44Å; Y281-K285 PolarHBondContact O-N 3.04Å; A282-K285 PolarHBondContact O-N 3.37Å; I283-K285 VanDerWaalsContact C-N 3.32Å; I283-K285 PolarHBondContact O-N 3.11Å
286S95Very high94.9Very high1 Ų155.2 Ų55.21%0.00726%0.26CS..SBendtrans-72161.617774.10000112.6S179 A282 I283 Q284 R291 L294S179-S286 WeakPolarHBondContact OG-CA 3.47Å; S179-S286 PolarHBondContact OG-N 2.68Å; S179-S286 VanDerWaalsContact OG-N 3.14Å; A282-S286 PolarHBondContact O-N 3.49Å; I283-S286 PolarHBondContact O-N 2.96Å; I283-S286 PolarHBondContact O-OG 3.16Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; S286-R291 PolarHBondContact O-NE 2.86Å; S286-R291 PolarHBondContact O-NH2 3.47Å; S286-R291 VanDerWaalsContact O-NH2 3.11Å; S286-L294 WeakPolarHBondContact OG-CD1 3.39Å
287D94.5Very high94.9Very high96 Ų9655.4 Ų55.451%0.51326%0.263SS..  trans-55.9141179.9-61.6-40.4000112.1D289 L290 R291D287-D289 PolarHBondContact O-N 3.34Å; D287-D289 VanDerWaalsContact O-N 3.15Å; D287-L290 HydrophobicContact CB-CD1 4.26Å; D287-L290 HydrophobicContact CB-CG 4.19Å; D287-L290 PolarHBondContact O-N 3.3Å; D287-R291 WeakPolarHBondContact O-CG 3.3Å; D287-R291 PolarHBondContact O-N 2.83Å
288M92.7Very high94.9Very high147 Ų14752.5 Ų52.572%0.72425%0.249SC*.Hα-helixtrans-54.5-38.6-173-69.7-167.5-66.900113.1L290 R291M288-L290 VanDerWaalsContact C-N 3.28Å; M288-L290 PolarHBondContact O-N 3.23Å; M288-R291 PolarHBondContact O-N 3.01Å
289D93.6Very high94.9Very high147 Ų14752.5 Ų52.579%0.78625%0.249SC*.Hα-helixtrans-67.5-29.4-178.5-61.8-26.7000112.4D287D287-D289 PolarHBondContact O-N 3.34Å; D287-D289 VanDerWaalsContact O-N 3.15Å
290L94.2Very high94.9Very high23 Ų2352.6 Ų52.612%0.1225%0.249CC..Hα-helixtrans-82.1-27.8-178.5-57.9-174.8000112.4Y171 I176 D287 M288 R292 T293 L294Y171-L290 HydrophobicContact CD2-CD1 4.21Å; Y171-L290 HydrophobicContact CD2-CD2 3.47Å; Y171-L290 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L290 HydrophobicContact CD2-CG 4.41Å; Y171-L290 HydrophobicContact CE1-CD2 4.49Å; Y171-L290 HydrophobicContact CE2-CD2 3.37Å; Y171-L290 HydrophobicContact CG-CD1 4.15Å; Y171-L290 HydrophobicContact CG-CD2 4.09Å; I176-L290 HydrophobicContact CD1-CD1 3.81Å; D287-L290 HydrophobicContact CB-CD1 4.26Å; D287-L290 HydrophobicContact CB-CG 4.19Å; D287-L290 PolarHBondContact O-N 3.3Å; M288-L290 VanDerWaalsContact C-N 3.28Å; M288-L290 PolarHBondContact O-N 3.23Å; L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-R292 VanDerWaalsContact O-N 3.16Å; L290-T293 WeakPolarHBondContact O-CA 3.35Å; L290-T293 WeakPolarHBondContact O-CB 3.36Å; L290-T293 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CB-CD1 4.19Å; L290-L294 HydrophobicContact CB-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 3.29Å
291R94.4Very high94.9Very high80 Ų8052.5 Ų52.530%0.30225%0.249SC..Hα-helixtrans-54.5-42.1-170.7-58.4-170.3-174.8163.94.2113.3I283 Q284 S286 D287 M288 T293 L294 F295I283-R291 HydrophobicContact CG2-CB 3.95Å; I283-R291 HydrophobicContact CG2-CG 4.19Å; I283-R291 WeakPolarHBondContact O-CG 3.46Å; Q284-R291 PolarHBondContact O-NE 2.67Å; Q284-R291 PolarHBondContact O-NH2 3.09Å; S286-R291 PolarHBondContact O-NE 2.86Å; S286-R291 PolarHBondContact O-NH2 3.47Å; S286-R291 VanDerWaalsContact O-NH2 3.11Å; D287-R291 WeakPolarHBondContact O-CG 3.3Å; D287-R291 PolarHBondContact O-N 2.83Å; M288-R291 PolarHBondContact O-N 3.01Å; R291-T293 VanDerWaalsContact C-N 3.34Å; R291-T293 PolarHBondContact O-N 3.12Å; R291-L294 PolarHBondContact O-N 2.92Å; R291-F295 WeakPolarHBondContact O-CD2 3.14Å; R291-F295 PolarHBondContact O-N 2.73Å
292R93.6Very high94.6Very high185 Ų18548.1 Ų48.170%0.69824%0.235SC*.Hα-helixtrans-62.3-44.1179.4-172.7178.5-176.4175.62.9111.3L290 S296L290-R292 VanDerWaalsContact C-N 3.28Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-R292 VanDerWaalsContact O-N 3.16Å; R292-S296 WeakPolarHBondContact O-CB 3.33Å; R292-S296 PolarHBondContact O-N 2.91Å
293T94.1Very high94.4Very high56 Ų5649.7 Ų49.734%0.34425%0.25SS..Hα-helixtrans-64.7-44.2177-540000110.7L290 R291 S296 T297L290-T293 WeakPolarHBondContact O-CA 3.35Å; L290-T293 WeakPolarHBondContact O-CB 3.36Å; L290-T293 PolarHBondContact O-N 3.38Å; R291-T293 VanDerWaalsContact C-N 3.34Å; R291-T293 PolarHBondContact O-N 3.12Å; T293-S296 PolarHBondContact O-N 3.48Å; T293-S296 PolarHBondContact O-OG 3.17Å; T293-T297 PolarHBondContact O-N 3.12Å; T293-T297 PolarHBondContact O-OG1 3.32Å
294L95Very high94.3Very high1 Ų150 Ų501%0.00525%0.253CS..Hα-helixtrans-63.3-45.4179.3-69.4-179.4000112.8V156 P169 I283 S286 L290 R291 S296 T297V156-L294 HydrophobicContact CG2-CB 3.53Å; V156-L294 HydrophobicContact CG2-CD1 4.21Å; V156-L294 HydrophobicContact CG2-CD2 3.62Å; V156-L294 HydrophobicContact CG2-CG 3.95Å; P169-L294 HydrophobicContact CB-CD1 3.96Å; P169-L294 HydrophobicContact CB-CD2 4.27Å; I283-L294 HydrophobicContact CG1-CB 4.27Å; I283-L294 HydrophobicContact CG2-CB 4.13Å; S286-L294 WeakPolarHBondContact OG-CD1 3.39Å; L290-L294 HydrophobicContact CB-CD1 4.19Å; L290-L294 HydrophobicContact CB-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 3.29Å; R291-L294 PolarHBondContact O-N 2.92Å; L294-S296 PolarHBondContact O-N 3.25Å; L294-T297 CarbonylContact O-C 3.57Å; L294-T297 PolarHBondContact O-N 3.36Å; L294-T297 VanDerWaalsContact O-N 3.13Å
295F95Very high94.4Very high5 Ų546.1 Ų46.12%0.02223%0.234CC..Hα-helixtrans-62.6-32174.1-81.6-62.2000113I283 R291 T297 V318 A322 V326 I328 K329I283-F295 HydrophobicContact CB-CE1 4.38Å; I283-F295 HydrophobicContact CB-CE2 4.31Å; I283-F295 HydrophobicContact CB-CZ 4.07Å; I283-F295 HydrophobicContact CD1-CD1 3.54Å; I283-F295 HydrophobicContact CD1-CE1 3.55Å; I283-F295 HydrophobicContact CD1-CG 4.09Å; I283-F295 HydrophobicContact CD1-CZ 4.12Å; I283-F295 HydrophobicContact CG2-CD1 4.46Å; I283-F295 HydrophobicContact CG2-CD2 3.71Å; I283-F295 HydrophobicContact CG2-CE1 4.21Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.22Å; I283-F295 HydrophobicContact CG2-CZ 3.67Å; R291-F295 WeakPolarHBondContact O-CD2 3.14Å; R291-F295 PolarHBondContact O-N 2.73Å; F295-T297 VanDerWaalsContact C-N 3.26Å; F295-T297 PolarHBondContact O-N 3.43Å; F295-V318 HydrophobicContact CD1-CG1 4.23Å; F295-V318 HydrophobicContact CE1-CG1 4.08Å; F295-A322 HydrophobicContact CD1-CB 4.33Å; F295-A322 HydrophobicContact CE1-CB 3.89Å; F295-A322 HydrophobicContact CZ-CB 4.06Å; F295-V326 HydrophobicContact CB-CG1 3.44Å; F295-V326 VanDerWaalsContact CB-CG1 3.44Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CG-CG1 3.88Å; F295-I328 HydrophobicContact CD1-CG1 4.45Å; F295-I328 WeakPolarHBondContact O-CA 3.42Å; F295-K329 PolarHBondContact O-N 3.39Å; F295-K329 VanDerWaalsContact O-N 3.13Å
296S93.8Very high94.3Very high39 Ų3944.3 Ų44.327%0.27323%0.23SC..Hα-helixtrans-78-10.2178.378.50000113.8R292 T293 L294 K327 K329R292-S296 WeakPolarHBondContact O-CB 3.33Å; R292-S296 PolarHBondContact O-N 2.91Å; T293-S296 PolarHBondContact O-N 3.48Å; T293-S296 PolarHBondContact O-OG 3.17Å; L294-S296 PolarHBondContact O-N 3.25Å; S296-K327 WeakPolarHBondContact CA-O 3.26Å; S296-K329 WeakPolarHBondContact O-CB 3.07Å
297T95.1Very high94.3Very high22 Ų2245.2 Ų45.214%0.13524%0.235CC..  trans-139.370.1-175.9-50.20000110.2T154 G155 V156 T293 L294 F295T154-T297 WeakPolarHBondContact O-CG2 3.2Å; G155-T297 CarbonylContact C-O 3.59Å; G155-T297 VanDerWaalsContact CA-O 3.25Å; G155-T297 WeakPolarHBondContact CA-O 3.45Å; V156-T297 PolarHBondContact N-O 3.45Å; T293-T297 PolarHBondContact O-N 3.12Å; T293-T297 PolarHBondContact O-OG1 3.32Å; L294-T297 CarbonylContact O-C 3.57Å; L294-T297 PolarHBondContact O-N 3.36Å; L294-T297 VanDerWaalsContact O-N 3.13Å; F295-T297 VanDerWaalsContact C-N 3.26Å; F295-T297 PolarHBondContact O-N 3.43Å
298I96.6Very high94.2Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-93.6128.6171-60.9159.1000108.1V156 L279 L300 I328 K329 I330 S331V156-I298 CarbonylContact O-C 3.19Å; V156-I298 WeakPolarHBondContact O-CA 3.5Å; L279-I298 HydrophobicContact CD1-CG2 4.33Å; L279-I298 HydrophobicContact CD2-CD1 4.2Å; L279-I298 HydrophobicContact CD2-CG2 4.09Å; I298-L300 HydrophobicContact CG2-CD2 4.37Å; I298-I328 HydrophobicContact CD1-CG2 4Å; I298-K329 PolarHBondContact N-O 3.12Å; I298-I330 HydrophobicContact CB-CG1 4.19Å; I298-I330 HydrophobicContact CD1-CG1 4.12Å; I298-I330 HydrophobicContact CG2-CG1 4.3Å; I298-I330 HydrophobicContact CG2-CG2 4.4Å; I298-I330 CarbonylContact O-C 3.53Å; I298-S331 WeakPolarHBondContact O-CB 3.39Å; I298-S331 PolarHBondContact O-N 2.81Å
299V96.3Very high94.2Very high2 Ų242 Ų421%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-114.5128.8177.71790000109L147 T150 V156 V157 L158 S331L147-V299 HydrophobicContact CD1-CG2 3.83Å; T150-V299 HydrophobicContact CG2-CG1 3.89Å; V156-V299 PolarHBondContact O-N 2.74Å; V157-V299 WeakPolarHBondContact CA-O 3.35Å; V157-V299 HydrophobicContact CG2-CB 4.34Å; L158-V299 PolarHBondContact N-O 2.77Å; V299-S331 WeakPolarHBondContact CA-O 3.32Å
300L96.3Very high94.3Very high2 Ų235.1 Ų35.11%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-93.6130.1175.7-58.2-172.3000110.8L158 I298 T305 F310 L314 I330 S331 A332 P333L158-L300 HydrophobicContact CB-CD2 4.03Å; L158-L300 HydrophobicContact CD2-CD2 3.85Å; L158-L300 HydrophobicContact CG-CD2 4.3Å; I298-L300 HydrophobicContact CG2-CD2 4.37Å; L300-T305 HydrophobicContact CB-CG2 4.44Å; L300-F310 HydrophobicContact CD1-CD1 3.86Å; L300-F310 HydrophobicContact CD1-CE1 3.97Å; L300-F310 HydrophobicContact CD2-CE1 4.18Å; L300-L314 HydrophobicContact CD2-CD2 3.73Å; L300-I330 HydrophobicContact CD1-CG2 3.66Å; L300-I330 HydrophobicContact CD2-CG2 3.94Å; L300-I330 HydrophobicContact CG-CG2 3.59Å; L300-S331 PolarHBondContact N-O 2.92Å; L300-A332 HydrophobicContact CB-CB 4.44Å; L300-A332 HydrophobicContact CD1-CB 4.18Å; L300-P333 WeakPolarHBondContact O-CD 3.38Å
301C94.1Very high94.3Very high1 Ų135.5 Ų35.51%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-132.2160.9174.4-163.30000111.1V157 L158 D159 S160 T305 T340V157-C301 HydrophobicContact CG1-CB 4.19Å; L158-C301 PolarHBondContact O-N 2.92Å; D159-C301 WeakPolarHBondContact CA-O 3.44Å; D159-C301 HydrophobicContact CB-CB 4.12Å; S160-C301 PolarHBondContact N-O 3.19Å; C301-T305 WeakPolarHBondContact O-CG2 3.38Å; C301-T340 PolarHBondContact SG-OG1 3.04Å; C301-T340 VanDerWaalsContact SG-OG1 3.39Å
302G91.1Very high94.3Very high9 Ų937.7 Ų37.79%0.09321%0.206CC..SBendtrans91.6152.8173.600000114.2D159 S160 S304 T305 R336D159-G302 WeakPolarHBondContact OD1-CA 3.36Å; S160-G302 CarbonylContact O-C 3.59Å; S160-G302 WeakPolarHBondContact O-CA 3.47Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 3.48Å; G302-T305 PolarHBondContact O-N 3.46Å; G302-T305 PolarHBondContact O-OG1 2.95Å; G302-R336 PolarHBondContact N-O 3.11Å
303G91.8Very high94.3Very high32 Ų3229 Ų2933%0.3317%0.173SC..G310 helixtrans-64.8-29.3-171.200000114.6S160 T305 L306S160-G303 PolarHBondContact O-N 2.75Å; G303-T305 PolarHBondContact O-N 3.36Å; G303-L306 VanDerWaalsContact O-CB 3.3Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.27Å; G303-L306 VanDerWaalsContact O-N 3.16Å
304S94.4Very high94.4Very high7 Ų726.4 Ų26.45%0.04916%0.157CC..G310 helixtrans-72.7-19.4-179.4-620000112.6S160 G161 G187 G302 L306 I307S160-S304 WeakPolarHBondContact O-CB 3.43Å; S160-S304 PolarHBondContact O-N 3.04Å; S160-S304 WeakPolarHBondContact OG-CB 3.34Å; G161-S304 PolarHBondContact O-OG 2.85Å; G187-S304 WeakPolarHBondContact CA-OG 3.39Å; G187-S304 PolarHBondContact N-OG 2.95Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 3.48Å; S304-L306 PolarHBondContact O-N 3.17Å; S304-I307 WeakPolarHBondContact O-CD1 3.4Å; S304-I307 WeakPolarHBondContact O-CG1 3.44Å
305T95.1Very high94.4Very high1 Ų128.8 Ų28.81%0.00617%0.17CC..G310 helixtrans-77.8-3173.273.60000113.5L300 C301 G302 G303 I307 F310 R336L300-T305 HydrophobicContact CB-CG2 4.44Å; C301-T305 WeakPolarHBondContact O-CG2 3.38Å; G302-T305 PolarHBondContact O-N 3.46Å; G302-T305 PolarHBondContact O-OG1 2.95Å; G303-T305 PolarHBondContact O-N 3.36Å; T305-I307 VanDerWaalsContact C-N 3.3Å; T305-F310 HydrophobicContact CG2-CD1 4.39Å; T305-F310 HydrophobicContact CG2-CE1 3.76Å; T305-F310 HydrophobicContact CG2-CE2 4.42Å; T305-F310 HydrophobicContact CG2-CZ 3.76Å; T305-R336 PolarHBondContact O-NE 3.33Å; T305-R336 PolarHBondContact O-NH2 3.02Å; T305-R336 WeakPolarHBondContact OG1-CD 3.33Å; T305-R336 PolarHBondContact OG1-NE 3.27Å
306L94.4Very high94.3Very high74 Ų7431.2 Ų31.239%0.38719%0.185SC..G310 helixtrans-80.7-11.1175.5-66.9167.7000113.1G303 S304 K308 R336 L337G303-L306 VanDerWaalsContact O-CB 3.3Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.27Å; G303-L306 VanDerWaalsContact O-N 3.16Å; S304-L306 PolarHBondContact O-N 3.17Å; L306-K308 PolarHBondContact O-N 3.19Å; L306-R336 HydrophobicContact CD2-CG 3.77Å; L306-R336 HydrophobicContact CG-CG 4.4Å; L306-L337 HydrophobicContact CD1-CB 4.31Å; L306-L337 HydrophobicContact CD1-CD1 4.4Å
307I93.9Very high94.4Very high21 Ų2130.5 Ų30.511%0.10818%0.177CC..SBendtrans-58.5132.9178.8-60.9170.8000109.4L224 P259 L262 S304 T305 G309 F310L224-I307 HydrophobicContact CD1-CB 4.41Å; L224-I307 HydrophobicContact CD1-CG2 4.09Å; L224-I307 HydrophobicContact CG-CG2 3.99Å; P259-I307 HydrophobicContact CB-CD1 3.93Å; P259-I307 HydrophobicContact CB-CG2 4.21Å; P259-I307 HydrophobicContact CG-CG2 4.49Å; L262-I307 HydrophobicContact CD1-CD1 4.37Å; S304-I307 WeakPolarHBondContact O-CD1 3.4Å; S304-I307 WeakPolarHBondContact O-CG1 3.44Å; T305-I307 VanDerWaalsContact C-N 3.3Å; I307-G309 PolarHBondContact O-N 3.2Å; I307-F310 WeakPolarHBondContact O-CB 3.43Å; I307-F310 PolarHBondContact O-N 3.13Å; I307-F310 VanDerWaalsContact O-N 3.11Å
308K93.7Very high94.3Very high147 Ų14729.4 Ų29.464%0.63917%0.171SC*.BIsolated β-bridgetrans-58133.2-178.4-63.5178.4-178176.30109.9L224 L306 F310L224-K308 PolarHBondContact N-O 2.68Å; L306-K308 PolarHBondContact O-N 3.19Å; K308-F310 VanDerWaalsContact C-N 3.32Å; K308-F310 PolarHBondContact O-N 3.2Å
309G92.7Very high94.1Very high29 Ų2935.6 Ų35.630%0.29920%0.198SC..THydrogen-bonded Turntrans82.8-3-178.700000115.7I307 G311 E312 R313I307-G309 PolarHBondContact O-N 3.2Å; G309-G311 PolarHBondContact O-N 3.24Å; G309-E312 PolarHBondContact O-N 3.08Å; G309-R313 WeakPolarHBondContact O-CB 3.43Å; G309-R313 PolarHBondContact O-N 3.19Å
310F95.1Very high94Very high2 Ų242 Ų421%0.00923%0.225CC..Hα-helixtrans-56.3-50.3-177.6-175.2-82.9000113.3L158 L224 L262 I275 L300 T305 I307 K308 E312 L314L158-F310 HydrophobicContact CD2-CE1 4.18Å; L158-F310 HydrophobicContact CD2-CZ 4.15Å; L224-F310 HydrophobicContact CD1-CB 3.82Å; L224-F310 HydrophobicContact CD1-CD2 3.56Å; L224-F310 HydrophobicContact CD1-CG 4.09Å; L262-F310 HydrophobicContact CD1-CE2 4.1Å; I275-F310 HydrophobicContact CD1-CD2 4.47Å; I275-F310 HydrophobicContact CD1-CE1 4.4Å; I275-F310 HydrophobicContact CD1-CE2 3.36Å; I275-F310 HydrophobicContact CD1-CZ 3.32Å; L300-F310 HydrophobicContact CD1-CD1 3.86Å; L300-F310 HydrophobicContact CD1-CE1 3.97Å; L300-F310 HydrophobicContact CD2-CE1 4.18Å; T305-F310 HydrophobicContact CG2-CD1 4.39Å; T305-F310 HydrophobicContact CG2-CE1 3.76Å; T305-F310 HydrophobicContact CG2-CE2 4.42Å; T305-F310 HydrophobicContact CG2-CZ 3.76Å; I307-F310 WeakPolarHBondContact O-CB 3.43Å; I307-F310 PolarHBondContact O-N 3.13Å; I307-F310 VanDerWaalsContact O-N 3.11Å; K308-F310 VanDerWaalsContact C-N 3.32Å; K308-F310 PolarHBondContact O-N 3.2Å; F310-E312 PolarHBondContact O-N 2.82Å; F310-L314 HydrophobicContact CE1-CD2 3.97Å; F310-L314 VanDerWaalsContact O-CB 3.28Å; F310-L314 WeakPolarHBondContact O-CB 3.47Å; F310-L314 PolarHBondContact O-N 3.33Å
311G94.2Very high93.8Very high30 Ų3045.3 Ų45.331%0.30924%0.243SC..Hα-helixtrans-65.3-38.8-177.600000113.4G309 L315G309-G311 PolarHBondContact O-N 3.24Å; G311-L315 VanDerWaalsContact O-CB 3.31Å; G311-L315 WeakPolarHBondContact O-CB 3.32Å; G311-L315 PolarHBondContact O-N 3.45Å
312E93.7Very high93.6Very high126 Ų12645.8 Ų45.859%0.58925%0.246SC*.Hα-helixtrans-70-43.4179.5-61.918017700111.6L226 G309 F310 L315 T316L226-E312 HydrophobicContact CD2-CB 3.95Å; G309-E312 PolarHBondContact O-N 3.08Å; F310-E312 PolarHBondContact O-N 2.82Å; E312-L315 PolarHBondContact O-N 3.47Å; E312-T316 WeakPolarHBondContact O-CB 3.42Å; E312-T316 PolarHBondContact O-N 2.94Å; E312-T316 PolarHBondContact O-OG1 3.47Å
313R94.6Very high93.4Very high4 Ų449 Ų492%0.01527%0.266CS..Hα-helixtrans-62.7-47.1174.7179.754.8178.4-82.5-12.3111S225 L226 E260 F263 G309 L315 T316 E317S225-R313 PolarHBondContact O-NH1 3.34Å; L226-R313 HydrophobicContact CD2-CB 4.32Å; E260-R313 IonicContact OE1-CZ 3.75Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 3.17Å; E260-R313 IonicContact OE1-NH2 2.66Å; E260-R313 IonicContact OE2-CZ 2.68Å; E260-R313 IonicContact OE2-NH1 3.81Å; E260-R313 PolarHBondContact OE2-NH1 3.27Å; E260-R313 IonicContact OE2-NH2 3.64Å; E260-R313 PolarHBondContact OE2-NH2 3.08Å; F263-R313 HydrophobicContact CD1-CG 4.26Å; F263-R313 HydrophobicContact CE1-CG 3.78Å; F263-R313 HydrophobicContact CE2-CG 4.08Å; F263-R313 HydrophobicContact CZ-CB 4.19Å; F263-R313 HydrophobicContact CZ-CG 3.67Å; G309-R313 WeakPolarHBondContact O-CB 3.43Å; G309-R313 PolarHBondContact O-N 3.19Å; R313-L315 PolarHBondContact O-N 3.18Å; R313-T316 WeakPolarHBondContact O-CB 3.19Å; R313-T316 PolarHBondContact O-N 3.3Å; R313-T316 VanDerWaalsContact O-N 3.16Å; R313-E317 IonicContact CZ-OE1 3.38Å; R313-E317 IonicContact NE-OE1 2.92Å; R313-E317 PolarHBondContact NE-OE1 3.11Å; R313-E317 IonicContact NH2-OE1 3.81Å; R313-E317 PolarHBondContact O-N 2.91Å
314L95.8Very high93.2Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-60.4-44.2177.1-175.964.8000111.9L158 F263 H276 L279 L300 F310 T316 E317 V318 I330L158-L314 HydrophobicContact CD2-CD1 4.33Å; L158-L314 HydrophobicContact CD2-CD2 3.47Å; L158-L314 VanDerWaalsContact CD2-CD2 3.47Å; F263-L314 HydrophobicContact CE1-CD1 4.34Å; F263-L314 HydrophobicContact CZ-CB 4.48Å; H276-L314 HydrophobicContact CB-CD1 3.87Å; L279-L314 HydrophobicContact CD2-CD1 4.09Å; L279-L314 HydrophobicContact CD2-CD2 4.12Å; L279-L314 HydrophobicContact CD2-CG 4.3Å; L300-L314 HydrophobicContact CD2-CD2 3.73Å; F310-L314 HydrophobicContact CE1-CD2 3.97Å; F310-L314 VanDerWaalsContact O-CB 3.28Å; F310-L314 WeakPolarHBondContact O-CB 3.47Å; F310-L314 PolarHBondContact O-N 3.33Å; L314-T316 VanDerWaalsContact C-N 3.26Å; L314-T316 PolarHBondContact O-N 2.94Å; L314-E317 PolarHBondContact O-N 3.17Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.17Å; L314-V318 WeakPolarHBondContact O-CB 3.48Å; L314-V318 WeakPolarHBondContact O-CG2 3.25Å; L314-V318 PolarHBondContact O-N 3.24Å; L314-I330 HydrophobicContact CB-CD1 4.27Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.98Å
315L94.8Very high92.7Very high52 Ų5264.4 Ų64.427%0.27233%0.33SS..Hα-helixtrans-58.8-40.8176.3-177.762.1000111.8G311 E312 R313 K319 I328 I330G311-L315 VanDerWaalsContact O-CB 3.31Å; G311-L315 WeakPolarHBondContact O-CB 3.32Å; G311-L315 PolarHBondContact O-N 3.45Å; E312-L315 PolarHBondContact O-N 3.47Å; R313-L315 PolarHBondContact O-N 3.18Å; L315-K319 HydrophobicContact CD1-CG 4.5Å; L315-K319 HydrophobicContact CG-CD 4.3Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.5Å; L315-K319 PolarHBondContact O-N 3.41Å; L315-I328 HydrophobicContact CD1-CB 4.04Å; L315-I328 HydrophobicContact CD1-CG2 3.57Å; L315-I330 HydrophobicContact CB-CD1 3.88Å; L315-I330 HydrophobicContact CD1-CD1 4.15Å; L315-I330 HydrophobicContact CD1-CG1 4.41Å
316T93.9Very high92.5Very high56 Ų5665.9 Ų65.934%0.34434%0.339SS..Hα-helixtrans-67.1-43.5-179.2-59.10000111.2E312 R313 L314 K320E312-T316 WeakPolarHBondContact O-CB 3.42Å; E312-T316 PolarHBondContact O-N 2.94Å; E312-T316 PolarHBondContact O-OG1 3.47Å; R313-T316 WeakPolarHBondContact O-CB 3.19Å; R313-T316 PolarHBondContact O-N 3.3Å; R313-T316 VanDerWaalsContact O-N 3.16Å; L314-T316 VanDerWaalsContact C-N 3.26Å; L314-T316 PolarHBondContact O-N 2.94Å; T316-K320 WeakPolarHBondContact O-CG 3.38Å; T316-K320 PolarHBondContact O-N 3.16Å
317E94Very high92.4Very high23 Ų2370.2 Ų70.211%0.10736%0.355CS..Hα-helixtrans-70.2-43.6177.7-64.4-54.2157.900112.5F263 H276 R313 L314 K319 K320 L321F263-E317 HydrophobicContact CD1-CG 4.16Å; F263-E317 HydrophobicContact CE1-CG 4.3Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.37Å; R313-E317 IonicContact CZ-OE1 3.38Å; R313-E317 IonicContact NE-OE1 2.92Å; R313-E317 PolarHBondContact NE-OE1 3.11Å; R313-E317 IonicContact NH2-OE1 3.81Å; R313-E317 PolarHBondContact O-N 2.91Å; L314-E317 PolarHBondContact O-N 3.17Å; E317-K319 VanDerWaalsContact C-N 3.27Å; E317-K319 PolarHBondContact O-N 3.49Å; E317-K320 VanDerWaalsContact CD-NZ 3.26Å; E317-K320 WeakPolarHBondContact O-CB 3.49Å; E317-K320 PolarHBondContact O-N 3.04Å; E317-K320 IonicContact OE1-NZ 3.33Å; E317-K320 PolarHBondContact OE1-NZ 2.88Å; E317-K320 WeakPolarHBondContact OE2-CD 3.32Å; E317-K320 IonicContact OE2-NZ 3.02Å; E317-K320 PolarHBondContact OE2-NZ 3.19Å; E317-L321 PolarHBondContact O-N 3.19Å
318V94Very high92.4Very high0 Ų070.5 Ų70.50%036%0.356CS..Hα-helixtrans-63.3-35.6177.8176.40000111L279 F295 L314 K320 L321 A322 I328L279-V318 HydrophobicContact CD2-CG2 3.79Å; F295-V318 HydrophobicContact CD1-CG1 4.23Å; F295-V318 HydrophobicContact CE1-CG1 4.08Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.17Å; L314-V318 WeakPolarHBondContact O-CB 3.48Å; L314-V318 WeakPolarHBondContact O-CG2 3.25Å; L314-V318 PolarHBondContact O-N 3.24Å; V318-K320 VanDerWaalsContact C-N 3.25Å; V318-K320 PolarHBondContact O-N 3.33Å; V318-L321 PolarHBondContact O-N 3.33Å; V318-A322 WeakPolarHBondContact O-CB 3.33Å; V318-A322 PolarHBondContact O-N 3.4Å; V318-I328 HydrophobicContact CG1-CD1 3.92Å; V318-I328 HydrophobicContact CG1-CG1 4.27Å; V318-I328 HydrophobicContact CG1-CG2 4.13Å
319K93.1Very high92.5Very high130 Ų13069 Ų6957%0.56535%0.35SS*.Hα-helixtrans-61.5-29.8173.3-83.8176.2177.6-179.20113.7L315 E317 I328L315-K319 HydrophobicContact CD1-CG 4.5Å; L315-K319 HydrophobicContact CG-CD 4.3Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.5Å; L315-K319 PolarHBondContact O-N 3.41Å; E317-K319 VanDerWaalsContact C-N 3.27Å; E317-K319 PolarHBondContact O-N 3.49Å; K319-I328 HydrophobicContact CB-CD1 4.18Å; K319-I328 HydrophobicContact CG-CD1 3.52Å
320K92.5Very high92.6Very high135 Ų13569.5 Ų69.559%0.58735%0.345SS*.Hα-helixtrans-75.3-33.1176.5-63.5172.8-163161.70111.7T316 E317 V318T316-K320 WeakPolarHBondContact O-CG 3.38Å; T316-K320 PolarHBondContact O-N 3.16Å; E317-K320 VanDerWaalsContact CD-NZ 3.26Å; E317-K320 WeakPolarHBondContact O-CB 3.49Å; E317-K320 PolarHBondContact O-N 3.04Å; E317-K320 IonicContact OE1-NZ 3.33Å; E317-K320 PolarHBondContact OE1-NZ 2.88Å; E317-K320 WeakPolarHBondContact OE2-CD 3.32Å; E317-K320 IonicContact OE2-NZ 3.02Å; E317-K320 PolarHBondContact OE2-NZ 3.19Å; V318-K320 VanDerWaalsContact C-N 3.25Å; V318-K320 PolarHBondContact O-N 3.33Å
321L92.3Very high92.5Very high73 Ų7370.7 Ų70.738%0.38235%0.354SS..Hα-helixtrans-89.5-29.1-176.8-63.7177000113.6E277 A280 E317 V318E277-L321 HydrophobicContact CG-CD1 4.15Å; A280-L321 HydrophobicContact CB-CB 4.1Å; A280-L321 HydrophobicContact CB-CD1 3.9Å; E317-L321 PolarHBondContact O-N 3.19Å; V318-L321 PolarHBondContact O-N 3.33Å
322A90.1Very high92.4Very high10 Ų1071.7 Ų71.78%0.08336%0.359CS..SBendtrans-79.8155.2-177.500000112.4F295 V318 I328F295-A322 HydrophobicContact CD1-CB 4.33Å; F295-A322 HydrophobicContact CE1-CB 3.89Å; F295-A322 HydrophobicContact CZ-CB 4.06Å; V318-A322 WeakPolarHBondContact O-CB 3.33Å; V318-A322 PolarHBondContact O-N 3.4Å; A322-I328 HydrophobicContact CB-CD1 3.86Å; A322-I328 HydrophobicContact CB-CG1 4.39Å
323P88.3Confident92.3Very high78 Ų7867.2 Ų67.251%0.50634%0.341SS..  trans-59.9141.9171.6-19.131000111.7D325 V326P323-D325 PolarHBondContact O-N 3.4Å; P323-D325 VanDerWaalsContact O-N 3.08Å; P323-V326 HydrophobicContact CB-CG2 4.09Å; P323-V326 HydrophobicContact CG-CG2 4.29Å; P323-V326 PolarHBondContact O-N 3.22Å
324K85.8Confident91.8Very high208 Ų20876 Ų7690%0.90438%0.382SS*.THydrogen-bonded Turntrans-59.8-24.6-172.3-66.4-176179.8178.90114.5
325D84.9Confident91.4Very high153 Ų15380.4 Ų80.482%0.81840%0.403SS*.THydrogen-bonded Turntrans-92.74.9-174.6-56.1-38.6000113.8P323P323-D325 PolarHBondContact O-N 3.4Å; P323-D325 VanDerWaalsContact O-N 3.08Å
326V90.8Very high91.2Very high33 Ų3380.1 Ų80.120%0.240%0.398CS..  trans-99.6127.8-176.8-177.10000111.3F295 P323 I328F295-V326 HydrophobicContact CB-CG1 3.44Å; F295-V326 VanDerWaalsContact CB-CG1 3.44Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CG-CG1 3.88Å; P323-V326 HydrophobicContact CB-CG2 4.09Å; P323-V326 HydrophobicContact CG-CG2 4.29Å; P323-V326 PolarHBondContact O-N 3.22Å; V326-I328 PolarHBondContact O-N 3.47Å
327K92.2Very high91Very high165 Ų16580.4 Ų80.472%0.71740%0.397SS*.  trans-76109.2172.4-174.7177.4-1781760110S296S296-K327 WeakPolarHBondContact CA-O 3.26Å
328I94.5Very high90.9Very high26 Ų2682.4 Ų82.413%0.13340%0.404CS..  trans-86.8128.5174.3-59.4154.8000109.3F295 I298 L315 V318 K319 A322 V326 I330F295-I328 HydrophobicContact CD1-CG1 4.45Å; F295-I328 WeakPolarHBondContact O-CA 3.42Å; I298-I328 HydrophobicContact CD1-CG2 4Å; L315-I328 HydrophobicContact CD1-CB 4.04Å; L315-I328 HydrophobicContact CD1-CG2 3.57Å; V318-I328 HydrophobicContact CG1-CD1 3.92Å; V318-I328 HydrophobicContact CG1-CG1 4.27Å; V318-I328 HydrophobicContact CG1-CG2 4.13Å; K319-I328 HydrophobicContact CB-CD1 4.18Å; K319-I328 HydrophobicContact CG-CD1 3.52Å; A322-I328 HydrophobicContact CB-CD1 3.86Å; A322-I328 HydrophobicContact CB-CG1 4.39Å; V326-I328 PolarHBondContact O-N 3.47Å; I328-I330 HydrophobicContact CG2-CG1 4.26Å
329K94.7Very high90.9Very high117 Ų11782.7 Ų82.751%0.50941%0.406SS..  trans-135.2119.1173.6172.9-174.1-176.3-174.30109.7F295 S296 I298F295-K329 PolarHBondContact O-N 3.39Å; F295-K329 VanDerWaalsContact O-N 3.13Å; S296-K329 WeakPolarHBondContact O-CB 3.07Å; I298-K329 PolarHBondContact N-O 3.12Å
330I95.1Very high91Very high39 Ų3976.9 Ų76.920%0.238%0.381CS..EExtended strand (participates in β ladder)trans-104.2124.6177.6-57.4178.5000107.9I298 L300 L314 L315 I328I298-I330 HydrophobicContact CB-CG1 4.19Å; I298-I330 HydrophobicContact CD1-CG1 4.12Å; I298-I330 HydrophobicContact CG2-CG1 4.3Å; I298-I330 HydrophobicContact CG2-CG2 4.4Å; I298-I330 CarbonylContact O-C 3.53Å; L300-I330 HydrophobicContact CD1-CG2 3.66Å; L300-I330 HydrophobicContact CD2-CG2 3.94Å; L300-I330 HydrophobicContact CG-CG2 3.59Å; L314-I330 HydrophobicContact CB-CD1 4.27Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.98Å; L315-I330 HydrophobicContact CB-CD1 3.88Å; L315-I330 HydrophobicContact CD1-CD1 4.15Å; L315-I330 HydrophobicContact CD1-CG1 4.41Å; I328-I330 HydrophobicContact CG2-CG1 4.26Å
331S93.4Very high91.2Very high27 Ų2770.4 Ų70.419%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-108.7118.2-179.2-168.50000108.4R152 I298 V299 L300R152-S331 VanDerWaalsContact NH1-CB 3.29Å; R152-S331 PolarHBondContact NH1-OG 3.26Å; R152-S331 PolarHBondContact NH2-OG 2.99Å; I298-S331 WeakPolarHBondContact O-CB 3.39Å; I298-S331 PolarHBondContact O-N 2.81Å; V299-S331 WeakPolarHBondContact CA-O 3.32Å; L300-S331 PolarHBondContact N-O 2.92Å
332A92.4Very high91.4Very high51 Ų5168 Ų6842%0.42134%0.341SS..  trans-116.999177.900000108.9L300L300-A332 HydrophobicContact CB-CB 4.44Å; L300-A332 HydrophobicContact CD1-CB 4.18Å
333P90.4Very high91.6Very high32 Ų3267.5 Ų67.521%0.20834%0.337CS..  trans-60.6150.8174.816.5-18.1000110.6T150 L300 E335 R336T150-P333 HydrophobicContact CG2-CG 4.27Å; L300-P333 WeakPolarHBondContact O-CD 3.38Å; P333-E335 VanDerWaalsContact C-N 3.34Å; P333-R336 HydrophobicContact CG-CB 3.9Å; P333-R336 WeakPolarHBondContact O-CB 3.23Å; P333-R336 WeakPolarHBondContact O-CG 3.4Å; P333-R336 PolarHBondContact O-N 3.4Å; P333-R336 PolarHBondContact O-NH1 3.38Å
334Q84.8Confident92Very high188 Ų18863.8 Ų63.888%0.87931%0.313SS*.THydrogen-bonded Turntrans-65.2-41.9178.2-69.3-173.3-8.100110.5R336Q334-R336 PolarHBondContact O-N 3.25Å
335E86.6Confident92.5Very high92 Ų9254 Ų5443%0.4327%0.27SS..THydrogen-bonded Turntrans-89.431.6-179.6-60.3178.3178.700112.9P333 L337 Y338 S339 I342P333-E335 VanDerWaalsContact C-N 3.34Å; E335-L337 PolarHBondContact O-N 3.37Å; E335-Y338 PolarHBondContact O-N 3.2Å; E335-S339 PolarHBondContact O-N 3Å; E335-S339 VanDerWaalsContact O-N 3.12Å; E335-S339 PolarHBondContact O-OG 3.4Å; E335-I342 HydrophobicContact CB-CD1 4.19Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.35Å
336R90.6Very high92.9Very high46 Ų4650.2 Ų50.217%0.17425%0.249CC..THydrogen-bonded Turntrans-63.4-12.1-176.264.9-175.9174.7-88.44.4115.7G302 T305 L306 P333 Q334 Y338 S339G302-R336 PolarHBondContact N-O 3.11Å; T305-R336 PolarHBondContact O-NE 3.33Å; T305-R336 PolarHBondContact O-NH2 3.02Å; T305-R336 WeakPolarHBondContact OG1-CD 3.33Å; T305-R336 PolarHBondContact OG1-NE 3.27Å; L306-R336 HydrophobicContact CD2-CG 3.77Å; L306-R336 HydrophobicContact CG-CG 4.4Å; P333-R336 HydrophobicContact CG-CB 3.9Å; P333-R336 WeakPolarHBondContact O-CB 3.23Å; P333-R336 WeakPolarHBondContact O-CG 3.4Å; P333-R336 PolarHBondContact O-N 3.4Å; P333-R336 PolarHBondContact O-NH1 3.38Å; Q334-R336 PolarHBondContact O-N 3.25Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å
337L89.8Confident93.1Very high62 Ų6249.4 Ų49.433%0.32524%0.243SC..THydrogen-bonded Turntrans-66.7-33.6167.8-174.462000111.9K22 L306 E335K22-L337 WeakPolarHBondContact CE-O 3.03Å; L306-L337 HydrophobicContact CD1-CB 4.31Å; L306-L337 HydrophobicContact CD1-CD1 4.4Å; E335-L337 PolarHBondContact O-N 3.37Å
338Y93.3Very high93.2Very high66 Ų6641.8 Ų41.826%0.25921%0.212SC..THydrogen-bonded Turntrans-110.8-3.8-172.9-51.2-46.3000113.2K22 I30 P31 E335 R336 T340 W341 I342K22-Y338 HydrophobicContact CD-CD1 4.03Å; I30-Y338 HydrophobicContact CG2-CD2 4.24Å; I30-Y338 HydrophobicContact CG2-CE2 4.28Å; P31-Y338 HydrophobicContact CG-CD1 3.57Å; P31-Y338 HydrophobicContact CG-CD2 4.44Å; P31-Y338 HydrophobicContact CG-CE1 4.03Å; P31-Y338 HydrophobicContact CG-CG 3.8Å; E335-Y338 PolarHBondContact O-N 3.2Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; Y338-T340 PolarHBondContact O-N 3.29Å; Y338-T340 VanDerWaalsContact O-N 3.12Å; Y338-W341 WeakPolarHBondContact O-CA 3.27Å; Y338-W341 WeakPolarHBondContact O-CB 3.46Å; Y338-W341 PolarHBondContact O-N 2.88Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.72Å
339S94.1Very high93.1Very high6 Ų643.7 Ų43.74%0.04223%0.227CC..Hα-helixtrans-51.6-40.6-174.9-66.50000114A149 E335 R336 I342 G343A149-S339 WeakPolarHBondContact CB-O 3.29Å; E335-S339 PolarHBondContact O-N 3Å; E335-S339 VanDerWaalsContact O-N 3.12Å; E335-S339 PolarHBondContact O-OG 3.4Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å; S339-I342 PolarHBondContact O-N 2.98Å; S339-G343 PolarHBondContact O-N 3.41Å
340T95.1Very high92.9Very high7 Ų742 Ų424%0.04322%0.223CC..Hα-helixtrans-59.7-47.2175.3-51.70000112T111 Q142 L145 C301 Y338 G343 G344T111-T340 HydrophobicContact CG2-CG2 4.24Å; Q142-T340 HydrophobicContact CB-CG2 3.67Å; Q142-T340 HydrophobicContact CG-CG2 3.79Å; L145-T340 HydrophobicContact CB-CG2 4.33Å; L145-T340 WeakPolarHBondContact CB-O 3.42Å; L145-T340 HydrophobicContact CD1-CG2 4.24Å; L145-T340 WeakPolarHBondContact CD1-O 3.46Å; C301-T340 PolarHBondContact SG-OG1 3.04Å; C301-T340 VanDerWaalsContact SG-OG1 3.39Å; Y338-T340 PolarHBondContact O-N 3.29Å; Y338-T340 VanDerWaalsContact O-N 3.12Å; T340-G343 PolarHBondContact O-N 3.48Å; T340-G344 PolarHBondContact O-N 2.93Å; T340-G344 VanDerWaalsContact O-N 3.09Å
341W96.9Very high92.5Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-67.9-41.8178.7-172.992.2000111.9V13 D15 K22 D28 P31 Y338 G343 G344 S345V13-W341 HydrophobicContact CB-CZ2 4.26Å; V13-W341 HydrophobicContact CG1-CG 4.32Å; V13-W341 PolarHBondContact O-NE1 2.79Å; D15-W341 HydrophobicContact CB-CB 4.12Å; D15-W341 HydrophobicContact CB-CG 4.46Å; K22-W341 HydrophobicContact CB-CB 4.37Å; K22-W341 HydrophobicContact CB-CG 4.23Å; K22-W341 HydrophobicContact CD-CB 4.28Å; D28-W341 HydrophobicContact CB-CH2 3.95Å; D28-W341 WeakPolarHBondContact O-CZ3 3.24Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.9Å; P31-W341 HydrophobicContact CB-CG 3.96Å; P31-W341 HydrophobicContact CB-CZ2 4.35Å; P31-W341 HydrophobicContact CB-CZ3 4.37Å; P31-W341 VanDerWaalsContact CD-CE3 3.42Å; P31-W341 HydrophobicContact CG-CD2 4.19Å; P31-W341 HydrophobicContact CG-CE3 4.17Å; P31-W341 HydrophobicContact CG-CG 4.4Å; P31-W341 VanDerWaalsContact N-CZ3 3.31Å; Y338-W341 WeakPolarHBondContact O-CA 3.27Å; Y338-W341 WeakPolarHBondContact O-CB 3.46Å; Y338-W341 PolarHBondContact O-N 2.88Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 3.32Å; W341-G344 CarbonylContact O-C 3.6Å; W341-G344 WeakPolarHBondContact O-CA 3.21Å; W341-G344 PolarHBondContact O-N 2.75Å; W341-G344 VanDerWaalsContact O-N 3.1Å; W341-S345 PolarHBondContact O-N 3.35Å
342I95.8Very high92.2Very high22 Ų2249.2 Ų49.211%0.11326%0.263CS..Hα-helixtrans-59.8-44.5176.9-65.3171.1000110.3Q29 A149 E335 Y338 S339 G344 S345 I346Q29-I342 WeakPolarHBondContact O-CG1 3.37Å; A149-I342 HydrophobicContact CB-CB 4.18Å; A149-I342 HydrophobicContact CB-CG2 4.04Å; E335-I342 HydrophobicContact CB-CD1 4.19Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.35Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.72Å; S339-I342 PolarHBondContact O-N 2.98Å; I342-G344 VanDerWaalsContact C-N 3.3Å; I342-G344 PolarHBondContact O-N 3.44Å; I342-S345 WeakPolarHBondContact O-CB 3.48Å; I342-S345 PolarHBondContact O-N 2.89Å; I342-I346 HydrophobicContact CG2-CD1 3.92Å; I342-I346 WeakPolarHBondContact O-CG1 3.2Å; I342-I346 PolarHBondContact O-N 3.42Å
343G95.1Very high91.9Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-60.8-39.217500000112.9L145 S339 T340 W341 L347L145-G343 VanDerWaalsContact O-CA 3.28Å; L145-G343 WeakPolarHBondContact O-CA 3.28Å; S339-G343 PolarHBondContact O-N 3.41Å; T340-G343 PolarHBondContact O-N 3.48Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 3.32Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.44Å; G343-L347 PolarHBondContact O-N 2.81Å
344G95.6Very high91.7Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-64.2-43.2172.400000112.8T340 W341 I342 L347 A348T340-G344 PolarHBondContact O-N 2.93Å; T340-G344 VanDerWaalsContact O-N 3.09Å; W341-G344 CarbonylContact O-C 3.6Å; W341-G344 WeakPolarHBondContact O-CA 3.21Å; W341-G344 PolarHBondContact O-N 2.75Å; W341-G344 VanDerWaalsContact O-N 3.1Å; I342-G344 VanDerWaalsContact C-N 3.3Å; I342-G344 PolarHBondContact O-N 3.44Å; G344-L347 PolarHBondContact O-N 2.92Å; G344-A348 WeakPolarHBondContact O-CB 3.41Å; G344-A348 PolarHBondContact O-N 3.33Å
345S96.3Very high91.8Very high2 Ų249.6 Ų49.61%0.01425%0.249CC..Hα-helixtrans-60.6-45.3176.1-178.30000111.7G27 D28 W341 I342 S349G27-S345 PolarHBondContact N-O 3.27Å; G27-S345 PolarHBondContact N-OG 3.44Å; D28-S345 PolarHBondContact N-OG 3.11Å; D28-S345 PolarHBondContact O-OG 3.44Å; W341-S345 PolarHBondContact O-N 3.35Å; I342-S345 WeakPolarHBondContact O-CB 3.48Å; I342-S345 PolarHBondContact O-N 2.89Å; S345-S349 WeakPolarHBondContact O-CB 3.46Å; S345-S349 PolarHBondContact O-N 3.44Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.92Å
346I94.5Very high91.9Very high73 Ų7348 Ų4837%0.37424%0.242SC..Hα-helixtrans-62.8-52.8174.8-66.2165.4000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.92Å; I342-I346 WeakPolarHBondContact O-CG1 3.2Å; I342-I346 PolarHBondContact O-N 3.42Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 3.01Å; I346-S349 PolarHBondContact O-N 3.26Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.01Å; I346-L350 WeakPolarHBondContact O-CG 3.31Å; I346-L350 PolarHBondContact O-N 3.16Å
347L93.6Very high92Very high16 Ų1646.5 Ų46.58%0.08424%0.236CC..Hα-helixtrans-58-44.5-177.9-17665.5000112L109 F138 L145 Y148 G343 G344 S349 L350 F353 M356L109-L347 HydrophobicContact CD1-CB 4.49Å; L109-L347 HydrophobicContact CD1-CD2 4.23Å; F138-L347 HydrophobicContact CE1-CD2 3.85Å; L145-L347 HydrophobicContact CD2-CB 4.35Å; L145-L347 HydrophobicContact CD2-CD2 3.65Å; Y148-L347 HydrophobicContact CE2-CD1 4.48Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.44Å; G343-L347 PolarHBondContact O-N 2.81Å; G344-L347 PolarHBondContact O-N 2.92Å; L347-S349 VanDerWaalsContact C-N 3.25Å; L347-S349 PolarHBondContact O-N 3.16Å; L347-L350 HydrophobicContact CD1-CD1 4.36Å; L347-L350 PolarHBondContact O-N 3.04Å; L347-F353 HydrophobicContact CG-CD2 4.35Å; L347-F353 WeakPolarHBondContact O-CB 3.32Å; L347-M356 HydrophobicContact CD1-CE 3.69Å; L347-M356 HydrophobicContact CG-CE 4.31Å
348A93.8Very high92.2Very high6 Ų643.7 Ų43.75%0.0522%0.222CC..Hα-helixtrans-70.9-20.2-179.200000113.5P11 V13 A26 L109 G344 I346 F353P11-A348 HydrophobicContact CB-CB 4.2Å; V13-A348 HydrophobicContact CG2-CB 4.01Å; A26-A348 HydrophobicContact CB-CB 3.55Å; L109-A348 HydrophobicContact CD1-CB 4.04Å; G344-A348 WeakPolarHBondContact O-CB 3.41Å; G344-A348 PolarHBondContact O-N 3.33Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 3.01Å; A348-F353 HydrophobicContact CB-CD1 4.04Å; A348-F353 HydrophobicContact CB-CE1 3.8Å; A348-F353 HydrophobicContact CB-CE2 4.4Å; A348-F353 HydrophobicContact CB-CG 4.45Å; A348-F353 HydrophobicContact CB-CZ 4.02Å; A348-F353 WeakPolarHBondContact O-CD1 3.35Å
349S92.5Very high92.2Very high65 Ų6541.7 Ų41.746%0.45522%0.218SC..Hα-helixtrans-81.5-13174.974.60000113.9S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.46Å; S345-S349 PolarHBondContact O-N 3.44Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.92Å; I346-S349 PolarHBondContact O-N 3.26Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.01Å; L347-S349 VanDerWaalsContact C-N 3.25Å; L347-S349 PolarHBondContact O-N 3.16Å
350L90.6Very high92.1Very high82 Ų8244 Ų4443%0.42923%0.227SC..SBendtrans-78.3142.1-179.1-61.7176.3000111.3I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.31Å; I346-L350 PolarHBondContact O-N 3.16Å; L347-L350 HydrophobicContact CD1-CD1 4.36Å; L347-L350 PolarHBondContact O-N 3.04Å; L350-T352 PolarHBondContact O-N 2.65Å; L350-T352 VanDerWaalsContact O-N 3.15Å; L350-F353 WeakPolarHBondContact O-CB 3.23Å; L350-F353 PolarHBondContact O-N 2.92Å
351D86.8Confident91.9Very high140 Ų14051.9 Ų51.975%0.74926%0.256SS*.THydrogen-bonded Turntrans-60.4-28.8176.1-68.3-40.8000113F353 K354D351-F353 PolarHBondContact O-N 3.12Å; D351-K354 PolarHBondContact O-N 3.44Å
352T87.8Confident91.7Very high77 Ų7753.3 Ų53.347%0.47226%0.263SS..THydrogen-bonded Turntrans-66.8-20176.153.10000112.8L350 K354 K355L350-T352 PolarHBondContact O-N 2.65Å; L350-T352 VanDerWaalsContact O-N 3.15Å; T352-K354 PolarHBondContact O-N 3.31Å; T352-K355 WeakPolarHBondContact O-CB 3.1Å; T352-K355 PolarHBondContact O-N 3.1Å
353F86.6Confident91.5Very high2 Ų253 Ų531%0.00926%0.26CS..Hα-helixtrans-57.9-35.1178-171.9-122.5000112.8P11 L109 F138 L347 A348 L350 D351 K355 M356 W357P11-F353 HydrophobicContact CB-CE1 4.05Å; P11-F353 HydrophobicContact CG-CD1 4.18Å; P11-F353 HydrophobicContact CG-CE1 3.97Å; L109-F353 HydrophobicContact CB-CZ 4.02Å; L109-F353 HydrophobicContact CD1-CE2 3.82Å; L109-F353 HydrophobicContact CD1-CZ 4.02Å; L109-F353 HydrophobicContact CG-CE2 4.49Å; L109-F353 HydrophobicContact CG-CZ 4.38Å; F138-F353 HydrophobicContact CB-CE2 3.85Å; F138-F353 HydrophobicContact CB-CZ 3.92Å; F138-F353 AromaticContact CD1-CE2 3.62Å; F138-F353 HydrophobicContact CD1-CE2 3.62Å; F138-F353 HydrophobicContact CD1-CZ 4.4Å; F138-F353 HydrophobicContact CE1-CE2 4.39Å; F138-F353 AromaticContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CZ 4.46Å; L347-F353 HydrophobicContact CG-CD2 4.35Å; L347-F353 WeakPolarHBondContact O-CB 3.32Å; A348-F353 HydrophobicContact CB-CD1 4.04Å; A348-F353 HydrophobicContact CB-CE1 3.8Å; A348-F353 HydrophobicContact CB-CE2 4.4Å; A348-F353 HydrophobicContact CB-CG 4.45Å; A348-F353 HydrophobicContact CB-CZ 4.02Å; A348-F353 WeakPolarHBondContact O-CD1 3.35Å; L350-F353 WeakPolarHBondContact O-CB 3.23Å; L350-F353 PolarHBondContact O-N 2.92Å; D351-F353 PolarHBondContact O-N 3.12Å; F353-K355 PolarHBondContact O-N 2.88Å; F353-K355 VanDerWaalsContact O-N 3.07Å; F353-M356 HydrophobicContact CB-CE 4.37Å; F353-M356 HydrophobicContact CD2-CE 4.19Å; F353-M356 PolarHBondContact O-N 2.82Å; F353-W357 AromaticContact CD1-CE3 3.44Å; F353-W357 HydrophobicContact CD1-CE3 3.44Å; F353-W357 VanDerWaalsContact CD1-CE3 3.44Å; F353-W357 AromaticContact CD1-CZ3 3.47Å; F353-W357 HydrophobicContact CD1-CZ3 3.47Å; F353-W357 VanDerWaalsContact CD1-CZ3 3.47Å; F353-W357 AromaticContact CE1-CE3 3.42Å; F353-W357 HydrophobicContact CE1-CE3 3.42Å; F353-W357 VanDerWaalsContact CE1-CE3 3.42Å; F353-W357 AromaticContact CE1-CZ3 3.71Å; F353-W357 HydrophobicContact CE1-CZ3 3.71Å; F353-W357 HydrophobicContact CG-CE3 4.22Å; F353-W357 HydrophobicContact CG-CZ3 4.46Å; F353-W357 HydrophobicContact CZ-CE3 4.17Å; F353-W357 PolarHBondContact O-N 3.31Å
354K85.9Confident91.4Very high103 Ų10358.9 Ų58.945%0.44829%0.287SS..Hα-helixtrans-58.4-24.9177.5-59.4-171.8176.1179.30113.5D351 T352 W357D351-K354 PolarHBondContact O-N 3.44Å; T352-K354 PolarHBondContact O-N 3.31Å; K354-W357 HydrophobicContact CB-CH2 4.09Å; K354-W357 HydrophobicContact CB-CZ2 3.85Å; K354-W357 HydrophobicContact CG-CH2 3.6Å; K354-W357 HydrophobicContact CG-CZ2 3.82Å; K354-W357 HydrophobicContact CG-CZ3 4.28Å; K354-W357 PolarHBondContact O-NE1 3.1Å
355K87.1Confident91.2Very high174 Ų17464.8 Ų64.876%0.75732%0.315SS*.Hα-helixtrans-86.8-20178.9-60.8-179.8-178.9176.80112.7T352 F353T352-K355 WeakPolarHBondContact O-CB 3.1Å; T352-K355 PolarHBondContact O-N 3.1Å; F353-K355 PolarHBondContact O-N 2.88Å; F353-K355 VanDerWaalsContact O-N 3.07Å
356M88.9Confident90.9Very high58 Ų5867.9 Ų67.929%0.28633%0.332SS..Hα-helixtrans-92.5-31.8-172.5-66.1-172.1-80.400113.1F138 L347 F353 K374F138-M356 HydrophobicContact CD2-CB 4.13Å; F138-M356 VanDerWaalsContact CD2-O 3.32Å; F138-M356 WeakPolarHBondContact CD2-O 3.42Å; F138-M356 HydrophobicContact CE2-CB 3.89Å; F138-M356 HydrophobicContact CZ-CB 4.34Å; L347-M356 HydrophobicContact CD1-CE 3.69Å; L347-M356 HydrophobicContact CG-CE 4.31Å; F353-M356 HydrophobicContact CB-CE 4.37Å; F353-M356 HydrophobicContact CD2-CE 4.19Å; F353-M356 PolarHBondContact O-N 2.82Å; M356-K374 WeakPolarHBondContact O-CD 3.41Å
357W91.5Very high90.7Very high15 Ų1570.9 Ų70.96%0.05734%0.338CS..SBendtrans-69.5158.4-18061.947.4000112.8A8 P11 P107 A136 F138 F353 K354 K374A8-W357 HydrophobicContact CB-CH2 3.66Å; A8-W357 HydrophobicContact CB-CZ2 4.12Å; P11-W357 HydrophobicContact CG-CZ3 4.39Å; P107-W357 HydrophobicContact CB-CE3 4.1Å; P107-W357 HydrophobicContact CB-CH2 4.49Å; P107-W357 HydrophobicContact CB-CZ3 3.94Å; P107-W357 HydrophobicContact CG-CH2 4.1Å; P107-W357 HydrophobicContact CG-CZ3 3.98Å; A136-W357 HydrophobicContact CB-CB 4.15Å; A136-W357 HydrophobicContact CB-CD2 3.93Å; A136-W357 HydrophobicContact CB-CG 3.7Å; F138-W357 HydrophobicContact CB-CB 4.07Å; F353-W357 AromaticContact CD1-CE3 3.44Å; F353-W357 HydrophobicContact CD1-CE3 3.44Å; F353-W357 VanDerWaalsContact CD1-CE3 3.44Å; F353-W357 AromaticContact CD1-CZ3 3.47Å; F353-W357 HydrophobicContact CD1-CZ3 3.47Å; F353-W357 VanDerWaalsContact CD1-CZ3 3.47Å; F353-W357 AromaticContact CE1-CE3 3.42Å; F353-W357 HydrophobicContact CE1-CE3 3.42Å; F353-W357 VanDerWaalsContact CE1-CE3 3.42Å; F353-W357 AromaticContact CE1-CZ3 3.71Å; F353-W357 HydrophobicContact CE1-CZ3 3.71Å; F353-W357 HydrophobicContact CG-CE3 4.22Å; F353-W357 HydrophobicContact CG-CZ3 4.46Å; F353-W357 HydrophobicContact CZ-CE3 4.17Å; F353-W357 PolarHBondContact O-N 3.31Å; K354-W357 HydrophobicContact CB-CH2 4.09Å; K354-W357 HydrophobicContact CB-CZ2 3.85Å; K354-W357 HydrophobicContact CG-CH2 3.6Å; K354-W357 HydrophobicContact CG-CZ2 3.82Å; K354-W357 HydrophobicContact CG-CZ3 4.28Å; K354-W357 PolarHBondContact O-NE1 3.1Å; W357-K374 PolarHBondContact O-NZ 2.72Å
358V93.9Very high90.4Very high4 Ų471.4 Ų71.42%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-95.5125168.11780000107.8F129 A136 L137 E362 A370 I371 K374F129-V358 HydrophobicContact CZ-CG1 4.35Å; F129-V358 WeakPolarHBondContact CZ-O 3.28Å; A136-V358 CarbonylContact C-O 3.52Å; A136-V358 WeakPolarHBondContact CA-O 3.49Å; A136-V358 WeakPolarHBondContact CB-O 3.38Å; L137-V358 PolarHBondContact N-O 3.15Å; L137-V358 PolarHBondContact O-N 3.47Å; V358-E362 HydrophobicContact CG1-CB 4.16Å; V358-E362 HydrophobicContact CG1-CG 4.26Å; V358-A370 HydrophobicContact CG1-CB 3.82Å; V358-I371 HydrophobicContact CB-CD1 4.01Å; V358-I371 HydrophobicContact CG1-CD1 3.98Å; V358-I371 HydrophobicContact CG2-CD1 4.07Å; V358-K374 HydrophobicContact CG2-CB 4.09Å; V358-K374 HydrophobicContact CG2-CD 3.83Å; V358-K374 HydrophobicContact CG2-CG 4.06Å
359S93.8Very high90.1Very high24 Ų2480.8 Ų80.817%0.16838%0.379CS..EExtended strand (participates in β ladder)trans-79.1157.3176.468.80000111.3R361 E362 Y363S359-R361 PolarHBondContact O-N 3.28Å; S359-E362 PolarHBondContact O-N 3.33Å; S359-E362 VanDerWaalsContact O-N 3.12Å; S359-E362 WeakPolarHBondContact OG-CB 3.34Å; S359-E362 PolarHBondContact OG-N 2.68Å; S359-E362 VanDerWaalsContact OG-N 3.17Å; S359-Y363 PolarHBondContact O-N 3.49Å
360K92.1Very high89.9Confident54 Ų5477.7 Ų77.724%0.23536%0.357CS..Hα-helixtrans-54.6-41.8175.5-172.1174.2-172.8173.60112.2F129 N133 P135 Y363 E364F129-K360 HydrophobicContact CD1-CB 3.99Å; F129-K360 HydrophobicContact CD1-CG 4.04Å; F129-K360 HydrophobicContact CE1-CB 4.07Å; N133-K360 PolarHBondContact OD1-NZ 3.14Å; P135-K360 PolarHBondContact O-N 3.08Å; K360-Y363 WeakPolarHBondContact O-CB 3.48Å; K360-Y363 PolarHBondContact O-N 3.02Å; K360-E364 WeakPolarHBondContact CE-OE1 3.37Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 3.41Å
361R91.1Very high89.9Confident172 Ų17274 Ų7465%0.64934%0.338SS*.Hα-helixtrans-62.9-46176.1-178.3179.8169.4177.60.6112.5S359 Y363 E364 E365S359-R361 PolarHBondContact O-N 3.28Å; R361-Y363 PolarHBondContact O-N 3.37Å; R361-E364 PolarHBondContact O-N 3.41Å; R361-E365 IonicContact CZ-OE1 3.81Å; R361-E365 IonicContact NE-OE1 2.74Å; R361-E365 PolarHBondContact NE-OE1 2.98Å; R361-E365 IonicContact NH2-OE1 2.77Å; R361-E365 WeakPolarHBondContact O-CG 3.48Å; R361-E365 PolarHBondContact O-N 3.47Å; R361-E365 VanDerWaalsContact O-N 3.07Å
362E91.9Very high89.9Confident31 Ų3170 Ų7015%0.14531%0.314CS..Hα-helixtrans-61.6-35.5176.5-171.3179.9-179.900110.9V358 S359 D366 A370 R373 K374V358-E362 HydrophobicContact CG1-CB 4.16Å; V358-E362 HydrophobicContact CG1-CG 4.26Å; S359-E362 PolarHBondContact O-N 3.33Å; S359-E362 VanDerWaalsContact O-N 3.12Å; S359-E362 WeakPolarHBondContact OG-CB 3.34Å; S359-E362 PolarHBondContact OG-N 2.68Å; S359-E362 VanDerWaalsContact OG-N 3.17Å; E362-D366 PolarHBondContact O-N 3.15Å; E362-A370 HydrophobicContact CG-CB 3.93Å; E362-R373 IonicContact OE1-CZ 2.72Å; E362-R373 IonicContact OE1-NH2 3.28Å; E362-R373 PolarHBondContact OE1-NH2 2.8Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.68Å; E362-K374 PolarHBondContact OE1-NZ 3.25Å; E362-K374 WeakPolarHBondContact OE2-CE 3.4Å; E362-K374 IonicContact OE2-NZ 3.58Å; E362-K374 PolarHBondContact OE2-NZ 3.49Å
363Y92.9Very high89.7Confident15 Ų1573.4 Ų73.46%0.05932%0.319CS..Hα-helixtrans-70.2-38.4173.9-179.8-98.3000113.3A125 E126 F129 S359 K360 R361 E365 R367 I371A125-Y363 HydrophobicContact CB-CE2 4.24Å; E126-Y363 WeakPolarHBondContact CA-OH 3.33Å; F129-Y363 HydrophobicContact CB-CD1 3.63Å; F129-Y363 HydrophobicContact CB-CE1 3.72Å; F129-Y363 HydrophobicContact CB-CG 4.31Å; F129-Y363 HydrophobicContact CD1-CD1 4.48Å; F129-Y363 AromaticContact CD2-CD1 3.59Å; F129-Y363 HydrophobicContact CD2-CD1 3.59Å; F129-Y363 AromaticContact CD2-CD2 3.57Å; F129-Y363 HydrophobicContact CD2-CD2 3.57Å; F129-Y363 AromaticContact CD2-CE1 3.97Å; F129-Y363 HydrophobicContact CD2-CE1 3.97Å; F129-Y363 AromaticContact CD2-CE2 3.93Å; F129-Y363 HydrophobicContact CD2-CE2 3.93Å; F129-Y363 AromaticContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CE2-CD1 4.36Å; F129-Y363 AromaticContact CE2-CD2 3.77Å; F129-Y363 HydrophobicContact CE2-CD2 3.77Å; F129-Y363 HydrophobicContact CE2-CE2 4.44Å; F129-Y363 AromaticContact CE2-CG 3.71Å; F129-Y363 HydrophobicContact CE2-CG 3.71Å; F129-Y363 AromaticContact CG-CD1 3.66Å; F129-Y363 HydrophobicContact CG-CD1 3.66Å; F129-Y363 HydrophobicContact CG-CD2 4.45Å; F129-Y363 HydrophobicContact CG-CE1 4.13Å; F129-Y363 AromaticContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CZ-CG 4.4Å; S359-Y363 PolarHBondContact O-N 3.49Å; K360-Y363 WeakPolarHBondContact O-CB 3.48Å; K360-Y363 PolarHBondContact O-N 3.02Å; R361-Y363 PolarHBondContact O-N 3.37Å; Y363-E365 VanDerWaalsContact C-N 3.3Å; Y363-E365 PolarHBondContact O-N 3.25Å; Y363-R367 WeakPolarHBondContact O-CA 3.24Å; Y363-R367 PolarHBondContact O-N 3Å; Y363-I371 HydrophobicContact CD2-CD1 4.16Å; Y363-I371 HydrophobicContact CD2-CG1 4.21Å; Y363-I371 HydrophobicContact CE2-CG1 4.39Å
364E91.8Very high89.3Confident123 Ų12376.1 Ų76.158%0.57533%0.331SS*.Hα-helixtrans-65.9-34.1176.4-74.6170.6-176.600112.1K360 R361K360-E364 WeakPolarHBondContact CE-OE1 3.37Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 3.41Å; R361-E364 PolarHBondContact O-N 3.41Å
365E92.4Very high88.7Confident124 Ų12472.6 Ų72.658%0.57932%0.318SS*.Hα-helixtrans-77-52.2178.2-68.5173.9-169.400112.4R361 Y363R361-E365 IonicContact CZ-OE1 3.81Å; R361-E365 IonicContact NE-OE1 2.74Å; R361-E365 PolarHBondContact NE-OE1 2.98Å; R361-E365 IonicContact NH2-OE1 2.77Å; R361-E365 WeakPolarHBondContact O-CG 3.48Å; R361-E365 PolarHBondContact O-N 3.47Å; R361-E365 VanDerWaalsContact O-N 3.07Å; Y363-E365 VanDerWaalsContact C-N 3.3Å; Y363-E365 PolarHBondContact O-N 3.25Å
366D89.9Confident87.3Confident68 Ų6872.5 Ų72.536%0.36432%0.318SS..Hα-helixtrans-107.7-8-169.9-82.5-23.5000114.3E362 A368 R369 A370 R373E362-D366 PolarHBondContact O-N 3.15Å; D366-A368 PolarHBondContact O-N 3.21Å; D366-R369 WeakPolarHBondContact O-CB 3.08Å; D366-R369 PolarHBondContact O-N 3.41Å; D366-R369 VanDerWaalsContact O-N 3.15Å; D366-A370 HydrophobicContact CB-CB 3.84Å; D366-R373 IonicContact OD2-NH1 3.73Å; D366-R373 IonicContact OD2-NH2 2.96Å
367R90.1Very high87.2Confident136 Ų13673.3 Ų73.351%0.51332%0.319SS..THydrogen-bonded Turntrans50.3-129-178.9-66.6-82.2-167.7157.3-6.1111.6E130 Y363 R369 A370E130-R367 IonicContact OE1-CZ 3.7Å; E130-R367 IonicContact OE1-NH1 2.7Å; E130-R367 PolarHBondContact OE1-NH1 2.76Å; Y363-R367 WeakPolarHBondContact O-CA 3.24Å; Y363-R367 PolarHBondContact O-N 3Å; R367-R369 PolarHBondContact O-N 2.85Å; R367-A370 PolarHBondContact O-N 3.03Å
368A86.8Confident86.9Confident27 Ų2776.3 Ų76.322%0.22333%0.333CS..Hα-helixtrans-58.4-29.4-178.400000113.8E122 D366 A370 I371 H372E122-A368 HydrophobicContact CG-CB 3.67Å; D366-A368 PolarHBondContact O-N 3.21Å; A368-A370 VanDerWaalsContact C-N 3.34Å; A368-A370 PolarHBondContact O-N 2.81Å; A368-I371 PolarHBondContact O-N 3.45Å; A368-H372 PolarHBondContact O-CD2 3.36Å; A368-H372 PolarHBondContact O-N 3.27Å
369R88.5Confident86.6Confident202 Ų20280.3 Ų80.376%0.76235%0.35SS*.Hα-helixtrans-66.8-36.2-176.4-66.3-178.6179.1173.60.7112D366 R367 I371 H372 R373D366-R369 WeakPolarHBondContact O-CB 3.08Å; D366-R369 PolarHBondContact O-N 3.41Å; D366-R369 VanDerWaalsContact O-N 3.15Å; R367-R369 PolarHBondContact O-N 2.85Å; R369-I371 VanDerWaalsContact C-N 3.3Å; R369-I371 PolarHBondContact O-N 2.85Å; R369-H372 PolarHBondContact O-N 3.36Å; R369-R373 WeakPolarHBondContact O-CB 3.49Å; R369-R373 PolarHBondContact O-N 2.94Å; R369-R373 VanDerWaalsContact O-N 3.11Å
370A87.9Confident86.1Confident0 Ų083.6 Ų83.60%036%0.361CS..Hα-helixtrans-60.8-41.1176.100000112V358 E362 D366 R367 A368 K374V358-A370 HydrophobicContact CG1-CB 3.82Å; E362-A370 HydrophobicContact CG-CB 3.93Å; D366-A370 HydrophobicContact CB-CB 3.84Å; R367-A370 PolarHBondContact O-N 3.03Å; A368-A370 VanDerWaalsContact C-N 3.34Å; A368-A370 PolarHBondContact O-N 2.81Å; A370-K374 PolarHBondContact O-N 3.1Å
371I89.4Confident85.8Confident5 Ų585.5 Ų85.53%0.02637%0.369CS..Hα-helixtrans-62.9-53.8178.8-53.2-62.6000110R121 A125 F129 I139 V358 Y363 A368 R369 R373 K374 T375R121-I371 HydrophobicContact CG-CG2 3.96Å; A125-I371 HydrophobicContact CB-CD1 3.93Å; A125-I371 HydrophobicContact CB-CG1 3.97Å; F129-I371 HydrophobicContact CE2-CD1 4Å; I139-I371 HydrophobicContact CD1-CG2 4.25Å; V358-I371 HydrophobicContact CB-CD1 4.01Å; V358-I371 HydrophobicContact CG1-CD1 3.98Å; V358-I371 HydrophobicContact CG2-CD1 4.07Å; Y363-I371 HydrophobicContact CD2-CD1 4.16Å; Y363-I371 HydrophobicContact CD2-CG1 4.21Å; Y363-I371 HydrophobicContact CE2-CG1 4.39Å; A368-I371 PolarHBondContact O-N 3.45Å; R369-I371 VanDerWaalsContact C-N 3.3Å; R369-I371 PolarHBondContact O-N 2.85Å; I371-R373 VanDerWaalsContact C-N 3.26Å; I371-R373 PolarHBondContact O-N 2.6Å; I371-K374 PolarHBondContact O-N 3.13Å; I371-K374 VanDerWaalsContact O-N 3.14Å; I371-T375 PolarHBondContact O-N 3.06Å; I371-T375 PolarHBondContact O-OG1 3.29Å
372H87.7Confident85.4Confident55 Ų5579.7 Ų79.726%0.25535%0.35SS..Hα-helixtrans-63.4-31.3-176.8-63.2-50.8000113.4R121 E122 A368 R369 K374R121-H372 PolarHBondContact NH1-ND1 2.74Å; E122-H372 IonicContact OE1-CD2 2.65Å; E122-H372 IonicContact OE1-CE1 3.14Å; E122-H372 IonicContact OE1-NE2 3.32Å; E122-H372 PolarHBondContact OE1-NE2 3.21Å; A368-H372 PolarHBondContact O-CD2 3.36Å; A368-H372 PolarHBondContact O-N 3.27Å; R369-H372 PolarHBondContact O-N 3.36Å; H372-K374 VanDerWaalsContact C-N 3.33Å; H372-K374 PolarHBondContact O-N 3.31Å
373R82.8Confident84.9Confident149 Ų14983.2 Ų83.256%0.56237%0.365SS*.Hα-helixtrans-66.8-30.7177.5-175.7176.467.9-158.4-2.6113.2E362 D366 R369 I371E362-R373 IonicContact OE1-CZ 2.72Å; E362-R373 IonicContact OE1-NH2 3.28Å; E362-R373 PolarHBondContact OE1-NH2 2.8Å; D366-R373 IonicContact OD2-NH1 3.73Å; D366-R373 IonicContact OD2-NH2 2.96Å; R369-R373 WeakPolarHBondContact O-CB 3.49Å; R369-R373 PolarHBondContact O-N 2.94Å; R369-R373 VanDerWaalsContact O-N 3.11Å; I371-R373 VanDerWaalsContact C-N 3.26Å; I371-R373 PolarHBondContact O-N 2.6Å
374K79.5Confident84.3Confident59 Ų5988.5 Ų88.526%0.25739%0.389SS..Hα-helixtrans-99.9-6.2-176.3-64.5-155.1-170.2171.60114.4M356 W357 V358 E362 A370 I371 H372M356-K374 WeakPolarHBondContact O-CD 3.41Å; W357-K374 PolarHBondContact O-NZ 2.72Å; V358-K374 HydrophobicContact CG2-CB 4.09Å; V358-K374 HydrophobicContact CG2-CD 3.83Å; V358-K374 HydrophobicContact CG2-CG 4.06Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.68Å; E362-K374 PolarHBondContact OE1-NZ 3.25Å; E362-K374 WeakPolarHBondContact OE2-CE 3.4Å; E362-K374 IonicContact OE2-NZ 3.58Å; E362-K374 PolarHBondContact OE2-NZ 3.49Å; A370-K374 PolarHBondContact O-N 3.1Å; I371-K374 PolarHBondContact O-N 3.13Å; I371-K374 VanDerWaalsContact O-N 3.14Å; H372-K374 VanDerWaalsContact C-N 3.33Å; H372-K374 PolarHBondContact O-N 3.31Å
375T71.8Confident83.7Confident29 Ų2985.6 Ų85.618%0.17837%0.373CS..  trans-93.9-6.9-179.5-49.90000113.5I371I371-T375 PolarHBondContact O-N 3.06Å; I371-T375 PolarHBondContact O-OG1 3.29Å
376F57.6Low82.9Confident173 Ų17382.1 Ų82.176%0.75935%0.354SS*.  trans-140.80-179.1-66-77.6000113.7

Retrieved 376 of 376 residues in 681.4 ms (Link to these results)

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