A0A087XCB8_POEFO Loading...

Prolactin regulatory element binding

AlphaFold DB , UniProt , Accession A0A087XCB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 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
1M39.5Very low73.3Confident243 Ų243117 Ų117100%1.19757%0.574SS**  0120.80-74.616387.100107.4
2G41.6Very low75.2Confident77 Ų77107.8 Ų107.879%0.79453%0.531SS*.  trans-58.4142.8-17900000111.4K4G2-K4 PolarHBondContact O-N 3.46Å; G2-K4 VanDerWaalsContact O-N 3.09Å
3K53.6Low76.6Confident190 Ų190106.6 Ų106.683%0.82654%0.536SS*.  trans-55.6117.9174.9-73.2-170.3175.2-165.40108.2K5K3-K5 PolarHBondContact O-N 2.96Å
4K65.2Low77.9Confident132 Ų13299.1 Ų99.157%0.57450%0.498SS*.  trans-64.6100.9174.7-172.8175.8-178.4178.30107.2G2 V6 V351G2-K4 PolarHBondContact O-N 3.46Å; G2-K4 VanDerWaalsContact O-N 3.09Å; K4-V6 PolarHBondContact O-N 3.19Å; K4-V6 VanDerWaalsContact O-N 3.16Å; K4-V351 HydrophobicContact CD-CG2 4.19Å
5K69.9Low79.1Confident195 Ų19593.9 Ų93.985%0.84847%0.474SS*.  trans-71.9108.5-179.2-168.4176.1-177.9-179.10108.5K3K3-K5 PolarHBondContact O-N 2.96Å
6V81.6Confident80.2Confident21 Ų2188.1 Ų88.113%0.12745%0.445CS..PPolyproline II helixtrans-77.6140.4172.7-178.40000108.1K4 V351 S354 Q392K4-V6 PolarHBondContact O-N 3.19Å; K4-V6 VanDerWaalsContact O-N 3.16Å; V6-V351 HydrophobicContact CG2-CB 4.43Å; V6-V351 HydrophobicContact CG2-CG1 3.92Å; V6-V351 HydrophobicContact CG2-CG2 4.06Å; V6-S354 WeakPolarHBondContact CG2-OG 3.41Å; V6-Q392 HydrophobicContact CG1-CB 3.9Å; V6-Q392 HydrophobicContact CG1-CG 4.18Å
7L80.8Confident81.2Confident121 Ų12186.4 Ų86.463%0.63443%0.432SS*.PPolyproline II helixtrans-84.2131.8178.4-69.2167.7000109.1L9L7-L9 PolarHBondContact O-N 2.94Å
8D90.1Very high82.2Confident77 Ų7781.8 Ų81.841%0.41241%0.41SS..EExtended strand (participates in β ladder)trans-71.5121.7170.2-61-27.8000107.9R390 Q392D8-R390 IonicContact OD1-NH1 3.22Å; D8-R390 PolarHBondContact OD1-NH1 2.98Å; D8-R390 WeakPolarHBondContact OD2-CD 3.44Å; D8-R390 IonicContact OD2-NH1 2.76Å; D8-Q392 VanDerWaalsContact OD1-CG 3.3Å; D8-Q392 WeakPolarHBondContact OD1-CG 3.39Å; D8-Q392 PolarHBondContact OD1-NE2 2.86Å
9L92.9Very high83Confident18 Ų1877.5 Ų77.59%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-75.4-41.3174.9176.366000110.6L7 V50 S60 L383 C391 V393L7-L9 PolarHBondContact O-N 2.94Å; L9-V50 HydrophobicContact CD1-CG1 4.42Å; L9-V50 HydrophobicContact CD2-CG1 4.27Å; L9-V50 HydrophobicContact CD2-CG2 3.96Å; L9-S60 PolarHBondContact O-OG 2.82Å; L9-L383 HydrophobicContact CD2-CD2 3.77Å; L9-C391 WeakPolarHBondContact CB-O 3.4Å; L9-C391 PolarHBondContact N-O 2.88Å; L9-V393 HydrophobicContact CB-CG2 3.68Å; L9-V393 HydrophobicContact CD1-CG2 4.06Å; L9-V393 HydrophobicContact CD2-CG2 3.54Å; L9-V393 HydrophobicContact CG-CG2 3.93Å
10Y95.7Very high83.7Confident33 Ų3375.2 Ų75.213%0.12938%0.375CS..EExtended strand (participates in β ladder)trans-152.7148.5-176.1179.6-111000110.5A12 H46 L48 L62 C391Y10-A12 HydrophobicContact CE1-CB 3.82Å; Y10-H46 AromaticContact CE1-ND1 3.77Å; Y10-H46 AromaticContact CZ-ND1 3.62Å; Y10-H46 PolarHBondContact OH-CE1 2.77Å; Y10-H46 VanDerWaalsContact OH-CE1 3.25Å; Y10-H46 PolarHBondContact OH-ND1 2.95Å; Y10-L48 HydrophobicContact CD1-CD1 3.71Å; Y10-L48 HydrophobicContact CD1-CD2 4.07Å; Y10-L48 HydrophobicContact CD2-CD1 4.46Å; Y10-L48 HydrophobicContact CD2-CD2 3.88Å; Y10-L48 HydrophobicContact CE1-CD1 4.38Å; Y10-L48 HydrophobicContact CE1-CD2 4.07Å; Y10-L48 HydrophobicContact CE2-CD2 3.91Å; Y10-L48 HydrophobicContact CG-CD1 3.77Å; Y10-L48 HydrophobicContact CG-CD2 3.98Å; Y10-L62 HydrophobicContact CE2-CB 4.48Å; Y10-C391 PolarHBondContact N-O 2.89Å; Y10-C391 PolarHBondContact O-N 2.95Å
11R96.1Very high84.3Confident180 Ų18073 Ų7368%0.67937%0.366SS*.EExtended strand (participates in β ladder)trans-126117171.6-170.7173.3-173.1176.10.8109.7S389 R390R11-S389 CarbonylContact C-O 3.58Å; R11-S389 WeakPolarHBondContact CA-O 3.31Å; R11-R390 HydrophobicContact CG-CG 4.37Å
12A95.1Very high86.8Confident7 Ų761.8 Ų61.86%0.05831%0.311CS..  trans-79.9156.7177.100000111.1Y10 F14 L16 S389Y10-A12 HydrophobicContact CE1-CB 3.82Å; A12-F14 HydrophobicContact CB-CD2 4.28Å; A12-F14 HydrophobicContact CB-CE2 4.17Å; A12-F14 HydrophobicContact CB-CZ 4.38Å; A12-F14 WeakPolarHBondContact CB-O 3.3Å; A12-F14 PolarHBondContact O-N 2.91Å; A12-L16 HydrophobicContact CB-CD1 4.23Å; A12-L16 HydrophobicContact CB-CD2 3.65Å; A12-L16 HydrophobicContact CB-CG 3.92Å; A12-S389 PolarHBondContact N-O 2.81Å; A12-S389 WeakPolarHBondContact O-CB 3.39Å
13P93.6Very high88.8Confident92 Ų9260.4 Ų60.460%0.59729%0.292SS*.SBendtrans-79.26.5172.631.4-30.9000113.4
14F94.6Very high90.4Very high2 Ų255.9 Ų55.91%0.00928%0.28CS..SBendtrans-147.8158.5-179.247.1-99.9000111A12 L16 I41 K42 A44 H46 S389A12-F14 HydrophobicContact CB-CD2 4.28Å; A12-F14 HydrophobicContact CB-CE2 4.17Å; A12-F14 HydrophobicContact CB-CZ 4.38Å; A12-F14 WeakPolarHBondContact CB-O 3.3Å; A12-F14 PolarHBondContact O-N 2.91Å; F14-L16 HydrophobicContact CD2-CD2 4.23Å; F14-L16 HydrophobicContact CE2-CD2 3.81Å; F14-L16 PolarHBondContact O-N 2.74Å; F14-I41 HydrophobicContact CB-CG2 3.54Å; F14-K42 VanDerWaalsContact CB-O 3.22Å; F14-K42 WeakPolarHBondContact CB-O 3.34Å; F14-K42 WeakPolarHBondContact CD1-O 3.43Å; F14-K42 WeakPolarHBondContact CG-O 3.36Å; F14-A44 HydrophobicContact CE1-CB 3.6Å; F14-A44 HydrophobicContact CZ-CB 3.74Å; F14-A44 WeakPolarHBondContact CZ-O 3.39Å; F14-H46 AromaticContact CE1-CD2 3.96Å; F14-H46 AromaticContact CE1-CE1 3.6Å; F14-H46 AromaticContact CE1-NE2 3.39Å; F14-H46 WeakPolarHBondContact CE1-NE2 3.28Å; F14-H46 AromaticContact CZ-CD2 3.67Å; F14-H46 AromaticContact CZ-CE1 3.76Å; F14-H46 AromaticContact CZ-CG 3.94Å; F14-H46 AromaticContact CZ-ND1 3.97Å; F14-H46 AromaticContact CZ-NE2 3.59Å; F14-S389 WeakPolarHBondContact O-CB 3.44Å; F14-S389 PolarHBondContact O-OG 2.86Å; F14-S389 VanDerWaalsContact O-OG 3.1Å
15P95.8Very high91.3Very high21 Ų2150.9 Ų50.914%0.13626%0.261CS..  trans-55.1130.8173.2-26.135.7000111.7G32 G33 V387P15-G32 CarbonylContact O-C 3.56Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; P15-G33 PolarHBondContact O-N 2.93Å; P15-V387 HydrophobicContact CB-CG1 4.09Å; P15-V387 WeakPolarHBondContact CB-O 3.45Å
16L97.5Very high92.1Very high0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-88.8134.8177-66.2176.2000109.4A12 F14 T360 V385 A386 C391A12-L16 HydrophobicContact CB-CD1 4.23Å; A12-L16 HydrophobicContact CB-CD2 3.65Å; A12-L16 HydrophobicContact CB-CG 3.92Å; F14-L16 HydrophobicContact CD2-CD2 4.23Å; F14-L16 HydrophobicContact CE2-CD2 3.81Å; F14-L16 PolarHBondContact O-N 2.74Å; L16-T360 PolarHBondContact O-OG1 2.83Å; L16-V385 HydrophobicContact CB-CB 3.82Å; L16-V385 HydrophobicContact CB-CG1 4.4Å; L16-V385 HydrophobicContact CB-CG2 4.36Å; L16-V385 HydrophobicContact CD1-CB 3.99Å; L16-V385 HydrophobicContact CD1-CG1 3.75Å; L16-A386 PolarHBondContact N-O 3.39Å; L16-A386 CarbonylContact O-C 3.53Å; L16-C391 HydrophobicContact CD1-CB 4.25Å
17Y97.6Very high92.6Very high60 Ų6040.8 Ų40.824%0.23522%0.216CC..EExtended strand (participates in β ladder)trans-110.7-33.5176.2-65.6-57.9000112.2A31 G33 A72 I74 T360 V387Y17-A31 PolarHBondContact N-O 2.95Å; Y17-G33 VanDerWaalsContact CE2-O 3.25Å; Y17-G33 WeakPolarHBondContact CE2-O 3.15Å; Y17-G33 PolarHBondContact OH-O 2.72Å; Y17-A72 HydrophobicContact CE2-CB 4.22Å; Y17-I74 HydrophobicContact CD2-CD1 3.66Å; Y17-I74 HydrophobicContact CE2-CD1 3.76Å; Y17-I74 HydrophobicContact CG-CD1 4.1Å; Y17-T360 VanDerWaalsContact C-OG1 3.27Å; Y17-T360 WeakPolarHBondContact CA-OG1 3.42Å; Y17-T360 HydrophobicContact CD1-CG2 4.11Å; Y17-T360 WeakPolarHBondContact O-CB 3.41Å; Y17-T360 PolarHBondContact O-OG1 3.02Å; Y17-V387 HydrophobicContact CE1-CG2 4.23Å
18T98Very high93.3Very high4 Ų435 Ų353%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-144151-176.1-1740000113T30 A31 T73 M76 D361T18-T30 WeakPolarHBondContact O-CA 3.39Å; T18-A31 HydrophobicContact CG2-CB 3.8Å; T18-A31 PolarHBondContact N-O 2.91Å; T18-A31 VanDerWaalsContact N-O 3.14Å; T18-A31 PolarHBondContact O-N 3.38Å; T18-T73 HydrophobicContact CG2-CG2 4.36Å; T18-M76 HydrophobicContact CG2-CB 3.54Å; T18-M76 HydrophobicContact CG2-CE 4.23Å; T18-D361 WeakPolarHBondContact CA-OD2 3.5Å; T18-D361 PolarHBondContact OG1-OD2 2.82Å
19V98.1Very high93.6Very high0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-137.7134.4175.861.70000110.2V28 I29 T30 D361 V363 L383 V385V19-V28 HydrophobicContact CG2-CG1 3.91Å; V19-I29 CarbonylContact C-O 3.6Å; V19-I29 WeakPolarHBondContact CA-O 3.39Å; V19-T30 HydrophobicContact CB-CG2 4.28Å; V19-T30 HydrophobicContact CG2-CG2 3.81Å; V19-D361 HydrophobicContact CG1-CB 4.15Å; V19-D361 PolarHBondContact N-OD2 2.88Å; V19-V363 HydrophobicContact CB-CG1 4.27Å; V19-V363 HydrophobicContact CG1-CB 4.22Å; V19-V363 HydrophobicContact CG1-CG1 3.64Å; V19-V363 HydrophobicContact CG2-CG1 3.81Å; V19-L383 HydrophobicContact CG2-CD1 4.41Å; V19-V385 HydrophobicContact CB-CB 4.49Å; V19-V385 HydrophobicContact CB-CG1 3.75Å; V19-V385 HydrophobicContact CB-CG2 3.88Å; V19-V385 HydrophobicContact CG1-CB 4.46Å; V19-V385 HydrophobicContact CG1-CG1 4.01Å; V19-V385 HydrophobicContact CG1-CG2 3.69Å; V19-V385 HydrophobicContact CG2-CG1 4.24Å
20K97.4Very high93.9Very high31 Ų3130.5 Ų30.514%0.13516%0.162CC..EExtended strand (participates in β ladder)trans-136.5158172.8-61.1-72.2161-97.70110I29 M76 V78 D361K20-I29 PolarHBondContact N-O 2.87Å; K20-I29 PolarHBondContact O-N 3.46Å; K20-M76 HydrophobicContact CB-CE 3.88Å; K20-M76 WeakPolarHBondContact CE-O 3.45Å; K20-M76 HydrophobicContact CG-CB 4.35Å; K20-M76 HydrophobicContact CG-CE 3.83Å; K20-M76 HydrophobicContact CG-CG 4.29Å; K20-V78 HydrophobicContact CB-CB 4.2Å; K20-V78 HydrophobicContact CB-CG2 3.58Å; K20-V78 HydrophobicContact CG-CG2 4.04Å; K20-D361 IonicContact NZ-OD1 3.25Å; K20-D361 PolarHBondContact NZ-OD1 2.98Å; K20-D361 IonicContact NZ-OD2 3.3Å; K20-D361 PolarHBondContact NZ-OD2 2.75Å
21V94.6Very high94Very high28 Ų2828.9 Ų28.917%0.1716%0.156CC..EExtended strand (participates in β ladder)trans-122.3124.1179.9-173.40000107.4V28 V363 L365 P366 M369 L383V21-V28 HydrophobicContact CG1-CG2 4.42Å; V21-V28 HydrophobicContact CG2-CG2 4.24Å; V21-V363 HydrophobicContact CG2-CB 4.47Å; V21-V363 HydrophobicContact CG2-CG1 3.64Å; V21-V363 HydrophobicContact CG2-CG2 3.94Å; V21-L365 HydrophobicContact CG1-CD2 4.39Å; V21-L365 HydrophobicContact CG2-CD2 4.19Å; V21-P366 HydrophobicContact CG1-CG 4.21Å; V21-M369 HydrophobicContact CG1-CE 3.26Å; V21-M369 HydrophobicContact CG1-SD 3.6Å; V21-L383 HydrophobicContact CG2-CD1 4.16Å
22D92Very high93.9Very high9 Ų920.3 Ų20.35%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-92.6107.8169.3177.316.4000108.9T24 T25 G26 L27 V78 F96D22-T24 VanDerWaalsContact CG-OG1 3.26Å; D22-T24 PolarHBondContact O-N 2.88Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.45Å; D22-T24 PolarHBondContact OD2-OG1 3.28Å; D22-T24 VanDerWaalsContact OD2-OG1 3.09Å; D22-T25 WeakPolarHBondContact CB-OG1 3.43Å; D22-T25 VanDerWaalsContact CG-OG1 3.27Å; D22-T25 VanDerWaalsContact OD2-CB 3.28Å; D22-T25 WeakPolarHBondContact OD2-CB 3.33Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.41Å; D22-T25 PolarHBondContact OD2-N 3.29Å; D22-T25 PolarHBondContact OD2-OG1 2.83Å; D22-G26 VanDerWaalsContact O-CA 3.28Å; D22-G26 WeakPolarHBondContact O-CA 3.22Å; D22-G26 PolarHBondContact O-N 3.17Å; D22-L27 PolarHBondContact N-O 3.43Å; D22-L27 PolarHBondContact O-N 3.25Å; D22-V78 HydrophobicContact CB-CG1 4.07Å; D22-F96 HydrophobicContact CB-CZ 4.22Å; D22-F96 WeakPolarHBondContact OD2-CZ 3.33Å
23A85.1Confident93.9Very high47 Ų4720 Ų2039%0.38812%0.12SC..THydrogen-bonded Turntrans-63.3-29.3-179.100000112.6P366A23-P366 HydrophobicContact CB-CB 4.21Å; A23-P366 HydrophobicContact CB-CG 3.94Å
24T85.9Confident93.5Very high96 Ų9616.8 Ų16.859%0.58910%0.104SC*.THydrogen-bonded Turntrans-73.6-53.2-175.865.80000111.1D22D22-T24 VanDerWaalsContact CG-OG1 3.26Å; D22-T24 PolarHBondContact O-N 2.88Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.45Å; D22-T24 PolarHBondContact OD2-OG1 3.28Å; D22-T24 VanDerWaalsContact OD2-OG1 3.09Å
25T85.2Confident92.4Very high27 Ų2717.5 Ų17.517%0.16611%0.112CC..THydrogen-bonded Turntrans-82.6-13.8177.862.60000113.3D22 L27 F96 K370D22-T25 WeakPolarHBondContact CB-OG1 3.43Å; D22-T25 VanDerWaalsContact CG-OG1 3.27Å; D22-T25 VanDerWaalsContact OD2-CB 3.28Å; D22-T25 WeakPolarHBondContact OD2-CB 3.33Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.41Å; D22-T25 PolarHBondContact OD2-N 3.29Å; D22-T25 PolarHBondContact OD2-OG1 2.83Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 2.76Å; T25-L27 WeakPolarHBondContact OG1-CG 3.44Å; T25-F96 HydrophobicContact CG2-CE2 3.96Å; T25-K370 WeakPolarHBondContact O-CE 3.35Å
26G85.8Confident90.8Very high3 Ų321.3 Ų21.33%0.03114%0.136CC..THydrogen-bonded Turntrans7120.2-176.300000114.2D22 M369D22-G26 VanDerWaalsContact O-CA 3.28Å; D22-G26 WeakPolarHBondContact O-CA 3.22Å; D22-G26 PolarHBondContact O-N 3.17Å; G26-M369 WeakPolarHBondContact O-CE 3.23Å
27L92Very high88.7Confident0 Ų024.3 Ų24.30%016%0.158CC..EExtended strand (participates in β ladder)trans-93.7139.9-177.9-63.8175.7000111.3D22 T25 I29 F47 L63 F96 I150D22-L27 PolarHBondContact N-O 3.43Å; D22-L27 PolarHBondContact O-N 3.25Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 2.76Å; T25-L27 WeakPolarHBondContact OG1-CG 3.44Å; L27-I29 HydrophobicContact CB-CG1 4.41Å; L27-F47 HydrophobicContact CD1-CD1 4.19Å; L27-L63 HydrophobicContact CD2-CD1 3.69Å; L27-F96 HydrophobicContact CD1-CD2 4.18Å; L27-F96 HydrophobicContact CD1-CE2 4.02Å; L27-I150 HydrophobicContact CD1-CD1 3.74Å; L27-I150 HydrophobicContact CD2-CD1 4.2Å
28V95.6Very high86.6Confident0 Ų031.4 Ų31.40%019%0.19CC..EExtended strand (participates in β ladder)trans-98120.4165.4176.60000107.7V19 V21 T30 L48 V50 L365 L383V19-V28 HydrophobicContact CG2-CG1 3.91Å; V21-V28 HydrophobicContact CG1-CG2 4.42Å; V21-V28 HydrophobicContact CG2-CG2 4.24Å; V28-T30 HydrophobicContact CG1-CG2 4.37Å; V28-L48 HydrophobicContact CB-CB 4.25Å; V28-L48 HydrophobicContact CG1-CD1 4.46Å; V28-L48 PolarHBondContact N-O 2.84Å; V28-L48 WeakPolarHBondContact O-CB 3.28Å; V28-L48 PolarHBondContact O-N 3.33Å; V28-V50 HydrophobicContact CB-CG2 3.87Å; V28-V50 HydrophobicContact CG2-CB 4.08Å; V28-V50 HydrophobicContact CG2-CG2 3.47Å; V28-V50 VanDerWaalsContact CG2-CG2 3.47Å; V28-L365 HydrophobicContact CG2-CD2 4.2Å; V28-L383 HydrophobicContact CB-CD1 4.43Å; V28-L383 HydrophobicContact CG1-CD1 3.62Å; V28-L383 HydrophobicContact CG2-CD1 3.89Å
29I97.6Very high84.9Confident0 Ų035.6 Ų35.60%022%0.216CC..EExtended strand (participates in β ladder)trans-109120.7-176-52.2173.4000107.3V19 K20 L27 V45 H46 F47 M76 V78 I83 F96V19-I29 CarbonylContact C-O 3.6Å; V19-I29 WeakPolarHBondContact CA-O 3.39Å; K20-I29 PolarHBondContact N-O 2.87Å; K20-I29 PolarHBondContact O-N 3.46Å; L27-I29 HydrophobicContact CB-CG1 4.41Å; I29-V45 HydrophobicContact CG2-CG1 3.42Å; I29-V45 VanDerWaalsContact CG2-CG1 3.42Å; I29-H46 WeakPolarHBondContact CA-O 2.74Å; I29-F47 HydrophobicContact CD1-CD1 4.12Å; I29-F47 HydrophobicContact CD1-CE1 3.89Å; I29-F47 HydrophobicContact CG1-CD1 3.9Å; I29-F47 HydrophobicContact CG1-CE1 4.12Å; I29-F47 HydrophobicContact CG2-CD1 4.49Å; I29-F47 HydrophobicContact CG2-CE1 4.35Å; I29-M76 HydrophobicContact CB-CE 3.89Å; I29-M76 HydrophobicContact CG2-CE 3.64Å; I29-M76 HydrophobicContact CG2-SD 3.77Å; I29-M76 WeakPolarHBondContact O-CE 3.45Å; I29-V78 HydrophobicContact CD1-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG2 4.12Å; I29-I83 HydrophobicContact CD1-CD1 4.03Å; I29-I83 HydrophobicContact CD1-CG1 4.28Å; I29-I83 HydrophobicContact CG2-CD1 4.22Å; I29-F96 HydrophobicContact CD1-CE1 3.99Å; I29-F96 HydrophobicContact CD1-CE2 4.45Å; I29-F96 HydrophobicContact CD1-CZ 3.89Å
30T97.8Very high83.7Confident0 Ų038.9 Ų38.90%025%0.249CC..EExtended strand (participates in β ladder)trans-116.7138.8177.555.80000108.9T18 V19 V28 H46 L48 V385T18-T30 WeakPolarHBondContact O-CA 3.39Å; V19-T30 HydrophobicContact CB-CG2 4.28Å; V19-T30 HydrophobicContact CG2-CG2 3.81Å; V28-T30 HydrophobicContact CG1-CG2 4.37Å; T30-H46 PolarHBondContact N-O 2.91Å; T30-H46 PolarHBondContact O-N 3.35Å; T30-L48 HydrophobicContact CG2-CD1 4Å; T30-V385 HydrophobicContact CG2-CG1 4.25Å
31A97.6Very high82.9Confident0 Ų040.3 Ų40.30%026%0.258CS..EExtended strand (participates in β ladder)trans-138.7152.1179.600000111.2Y17 T18 A44 V45 T73 M76Y17-A31 PolarHBondContact N-O 2.95Å; T18-A31 HydrophobicContact CG2-CB 3.8Å; T18-A31 PolarHBondContact N-O 2.91Å; T18-A31 VanDerWaalsContact N-O 3.14Å; T18-A31 PolarHBondContact O-N 3.38Å; A31-A44 WeakPolarHBondContact CA-O 3.43Å; A31-V45 HydrophobicContact CB-CB 4.43Å; A31-V45 HydrophobicContact CB-CG1 4.4Å; A31-V45 HydrophobicContact CB-CG2 3.94Å; A31-T73 HydrophobicContact CB-CG2 3.62Å; A31-M76 HydrophobicContact CB-SD 4.41Å
32G95.9Very high82.5Confident0 Ų045.5 Ų45.50%028%0.278CS..EExtended strand (participates in β ladder)trans-179.7-164.3-177.100000113P15 A44P15-G32 CarbonylContact O-C 3.56Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; G32-A44 PolarHBondContact N-O 2.99Å; G32-A44 PolarHBondContact O-N 3.1Å
33G93.3Very high82.6Confident0 Ų045.1 Ų45.10%028%0.276CS..  trans167.9172.3-176.900000114.9P15 Y17 N43P15-G33 PolarHBondContact O-N 2.93Å; Y17-G33 VanDerWaalsContact CE2-O 3.25Å; Y17-G33 WeakPolarHBondContact CE2-O 3.15Å; Y17-G33 PolarHBondContact OH-O 2.72Å; G33-N43 WeakPolarHBondContact CA-OD1 3.42Å
34G85.8Confident83.1Confident25 Ų2543 Ų4326%0.25826%0.258SS..  trans-100.76.817700000114.5N43G34-N43 PolarHBondContact N-OD1 3.32Å
35G72.1Confident83.6Confident16 Ų1638.4 Ų38.417%0.16523%0.23CC..SBendtrans79.8-165.7-172.100000112.7S37 N43G35-S37 PolarHBondContact O-N 2.8Å; G35-S37 VanDerWaalsContact O-N 3.14Å; G35-N43 PolarHBondContact N-OD1 3.38Å; G35-N43 PolarHBondContact O-ND2 3.04Å
36P61.9Low84.2Confident101 Ų10137.4 Ų37.466%0.65622%0.223SC*.SBendtrans-57.4121.918018.9-28.6000110K38P36-K38 PolarHBondContact O-N 2.87Å
37S52.7Low84.7Confident64 Ų6437.2 Ų37.245%0.44822%0.222SC..SBendtrans-64.226.7-150.7580000118.8G35 T39 G40G35-S37 PolarHBondContact O-N 2.8Å; G35-S37 VanDerWaalsContact O-N 3.14Å; S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact O-N 3.08Å; S37-G40 PolarHBondContact O-N 2.94Å
38K54Low84.8Confident208 Ų20837.2 Ų37.290%0.90422%0.222SC*.THydrogen-bonded Turntrans-63.4-16.2178.1-64.4-173.9-179178.90113.8P36P36-K38 PolarHBondContact O-N 2.87Å
39T61.8Low84.7Confident93 Ų9338 Ų3857%0.57123%0.226SC*.THydrogen-bonded Turntrans-94.7-9.8-176.2580000114.3S37 I41S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact O-N 3.08Å; T39-I41 PolarHBondContact O-N 3.39Å
40G72.8Confident84.4Confident68 Ų6838.3 Ų38.370%0.70123%0.228SC*.  trans75.33.1-174.300000115.1S37S37-G40 PolarHBondContact O-N 2.94Å
41I82Confident83.9Confident62 Ų6243.6 Ų43.632%0.31825%0.253SS..  trans-79.5125.7173.8-60174.8000108.5F14 T39F14-I41 HydrophobicContact CB-CG2 3.54Å; T39-I41 PolarHBondContact O-N 3.39Å
42K86.4Confident83.3Confident137 Ų13747.1 Ų47.160%0.59627%0.27SS*.  trans-70.9149.8178.9-64.8-166.8174.6-160.30111.7F14F14-K42 VanDerWaalsContact CB-O 3.22Å; F14-K42 WeakPolarHBondContact CB-O 3.34Å; F14-K42 WeakPolarHBondContact CD1-O 3.43Å; F14-K42 WeakPolarHBondContact CG-O 3.36Å
43N93.1Very high82.7Confident0 Ų052.1 Ų52.10%030%0.3CS..  trans-105.5128.4168.3-53.2-59.8000107.5G33 G34 G35 D67 T68 D69 T70 R71G33-N43 WeakPolarHBondContact CA-OD1 3.42Å; G34-N43 PolarHBondContact N-OD1 3.32Å; G35-N43 PolarHBondContact N-OD1 3.38Å; G35-N43 PolarHBondContact O-ND2 3.04Å; N43-D67 VanDerWaalsContact O-OD1 3.07Å; N43-T68 VanDerWaalsContact C-OG1 3.26Å; N43-T68 WeakPolarHBondContact CB-OG1 3.3Å; N43-T68 PolarHBondContact O-N 2.8Å; N43-T68 PolarHBondContact O-OG1 2.74Å; N43-D69 PolarHBondContact ND2-O 2.85Å; N43-T70 PolarHBondContact ND2-O 2.95Å; N43-R71 VanDerWaalsContact CB-O 3.26Å; N43-R71 WeakPolarHBondContact CB-O 3.39Å
44A94.9Very high81.8Confident2 Ų253.6 Ų53.62%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-158162.7-178.100000113.3F14 A31 G32 H66F14-A44 HydrophobicContact CE1-CB 3.6Å; F14-A44 HydrophobicContact CZ-CB 3.74Å; F14-A44 WeakPolarHBondContact CZ-O 3.39Å; A31-A44 WeakPolarHBondContact CA-O 3.43Å; G32-A44 PolarHBondContact N-O 2.99Å; G32-A44 PolarHBondContact O-N 3.1Å; A44-H66 CarbonylContact C-O 3.57Å; A44-H66 WeakPolarHBondContact CA-O 3.39Å; A44-H66 VanDerWaalsContact CB-O 3.23Å; A44-H66 WeakPolarHBondContact CB-O 3.3Å
45V97.1Very high81.1Confident0 Ų061.8 Ų61.80%034%0.344CS..EExtended strand (participates in β ladder)trans-107.5119.3166.6-176.30000108.2I29 A31 F47 H66 T68 I83 M94I29-V45 HydrophobicContact CG2-CG1 3.42Å; I29-V45 VanDerWaalsContact CG2-CG1 3.42Å; A31-V45 HydrophobicContact CB-CB 4.43Å; A31-V45 HydrophobicContact CB-CG1 4.4Å; A31-V45 HydrophobicContact CB-CG2 3.94Å; V45-F47 HydrophobicContact CB-CE2 4.43Å; V45-F47 HydrophobicContact CG1-CE2 3.9Å; V45-F47 HydrophobicContact CG1-CZ 4.15Å; V45-H66 HydrophobicContact CB-CB 4.41Å; V45-H66 PolarHBondContact N-O 3.36Å; V45-H66 PolarHBondContact O-N 2.89Å; V45-T68 HydrophobicContact CG2-CG2 3.91Å; V45-I83 HydrophobicContact CG1-CD1 4.39Å; V45-M94 HydrophobicContact CG2-CE 4.31Å
46H97.4Very high81.2Confident6 Ų663.6 Ų63.63%0.02835%0.35CS..EExtended strand (participates in β ladder)trans-105.2130.4-179.5-76.9-163.3000111Y10 F14 I29 T30 L62 S65Y10-H46 AromaticContact CE1-ND1 3.77Å; Y10-H46 AromaticContact CZ-ND1 3.62Å; Y10-H46 PolarHBondContact OH-CE1 2.77Å; Y10-H46 VanDerWaalsContact OH-CE1 3.25Å; Y10-H46 PolarHBondContact OH-ND1 2.95Å; F14-H46 AromaticContact CE1-CD2 3.96Å; F14-H46 AromaticContact CE1-CE1 3.6Å; F14-H46 AromaticContact CE1-NE2 3.39Å; F14-H46 WeakPolarHBondContact CE1-NE2 3.28Å; F14-H46 AromaticContact CZ-CD2 3.67Å; F14-H46 AromaticContact CZ-CE1 3.76Å; F14-H46 AromaticContact CZ-CG 3.94Å; F14-H46 AromaticContact CZ-ND1 3.97Å; F14-H46 AromaticContact CZ-NE2 3.59Å; I29-H46 WeakPolarHBondContact CA-O 2.74Å; T30-H46 PolarHBondContact N-O 2.91Å; T30-H46 PolarHBondContact O-N 3.35Å; H46-L62 HydrophobicContact CB-CD1 3.81Å; H46-S65 PolarHBondContact CD2-OG 3.4Å; H46-S65 PolarHBondContact NE2-OG 2.97Å
47F96.7Very high82.2Confident0 Ų064.3 Ų64.30%034%0.344CS..EExtended strand (participates in β ladder)trans-104117.3178-62.8-102.1000109.3L27 I29 V45 L63 H64 H66 I83 F96 I150 V152L27-F47 HydrophobicContact CD1-CD1 4.19Å; I29-F47 HydrophobicContact CD1-CD1 4.12Å; I29-F47 HydrophobicContact CD1-CE1 3.89Å; I29-F47 HydrophobicContact CG1-CD1 3.9Å; I29-F47 HydrophobicContact CG1-CE1 4.12Å; I29-F47 HydrophobicContact CG2-CD1 4.49Å; I29-F47 HydrophobicContact CG2-CE1 4.35Å; V45-F47 HydrophobicContact CB-CE2 4.43Å; V45-F47 HydrophobicContact CG1-CE2 3.9Å; V45-F47 HydrophobicContact CG1-CZ 4.15Å; F47-L63 PolarHBondContact O-N 2.87Å; F47-H64 HydrophobicContact CB-CB 4.25Å; F47-H64 HydrophobicContact CD2-CB 4.11Å; F47-H64 AromaticContact CD2-CD2 3.84Å; F47-H64 AromaticContact CE2-CD2 3.97Å; F47-H64 HydrophobicContact CG-CB 4.45Å; F47-H64 PolarHBondContact N-O 2.79Å; F47-H64 PolarHBondContact O-N 2.9Å; F47-H66 HydrophobicContact CE2-CB 4.27Å; F47-I83 HydrophobicContact CE1-CD1 3.72Å; F47-I83 HydrophobicContact CZ-CD1 3.5Å; F47-I83 VanDerWaalsContact CZ-CD1 3.5Å; F47-F96 HydrophobicContact CD1-CD2 4.48Å; F47-F96 HydrophobicContact CE1-CB 3.8Å; F47-F96 HydrophobicContact CE1-CD1 4.08Å; F47-F96 AromaticContact CE1-CD2 3.99Å; F47-F96 HydrophobicContact CE1-CD2 3.99Å; F47-F96 AromaticContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CZ-CB 4.08Å; F47-F96 HydrophobicContact CZ-CG 4.38Å; F47-I150 HydrophobicContact CB-CD1 3.51Å; F47-I150 HydrophobicContact CD1-CD1 4.18Å; F47-I150 HydrophobicContact CD1-CG2 4.36Å; F47-I150 HydrophobicContact CG-CD1 3.99Å; F47-I150 HydrophobicContact CG-CG2 4.47Å; F47-V152 HydrophobicContact CD2-CG2 4.47Å; F47-V152 HydrophobicContact CE2-CG2 3.6Å; F47-V152 HydrophobicContact CZ-CG2 3.6Å
48L95.3Very high83.9Confident0 Ų062.7 Ų62.70%033%0.329CS..EExtended strand (participates in β ladder)trans-112.4130.9-175.7-50.1174.3000109.5Y10 V28 T30 V50 S61 L62Y10-L48 HydrophobicContact CD1-CD1 3.71Å; Y10-L48 HydrophobicContact CD1-CD2 4.07Å; Y10-L48 HydrophobicContact CD2-CD1 4.46Å; Y10-L48 HydrophobicContact CD2-CD2 3.88Å; Y10-L48 HydrophobicContact CE1-CD1 4.38Å; Y10-L48 HydrophobicContact CE1-CD2 4.07Å; Y10-L48 HydrophobicContact CE2-CD2 3.91Å; Y10-L48 HydrophobicContact CG-CD1 3.77Å; Y10-L48 HydrophobicContact CG-CD2 3.98Å; V28-L48 HydrophobicContact CB-CB 4.25Å; V28-L48 HydrophobicContact CG1-CD1 4.46Å; V28-L48 PolarHBondContact N-O 2.84Å; V28-L48 WeakPolarHBondContact O-CB 3.28Å; V28-L48 PolarHBondContact O-N 3.33Å; T30-L48 HydrophobicContact CG2-CD1 4Å; L48-V50 HydrophobicContact CB-CG2 4.41Å; L48-S61 CarbonylContact C-O 3.57Å; L48-S61 VanDerWaalsContact CA-O 3.3Å; L48-S61 WeakPolarHBondContact CA-O 3Å; L48-L62 HydrophobicContact CD2-CB 4.21Å; L48-L62 HydrophobicContact CD2-CD1 3.75Å
49D92.2Very high85.7Confident16 Ų1655.6 Ų55.69%0.08631%0.305CS..EExtended strand (participates in β ladder)trans-87.4124.4162.6-171.153.5000107.9Q51 S60 S61 L63 K370D49-Q51 PolarHBondContact OD2-NE2 2.9Å; D49-S60 CarbonylContact O-C 3.56Å; D49-S60 VanDerWaalsContact O-CA 3.28Å; D49-S60 WeakPolarHBondContact O-CA 3.44Å; D49-S61 PolarHBondContact N-O 2.93Å; D49-S61 PolarHBondContact O-N 3.16Å; D49-L63 HydrophobicContact CB-CD1 3.75Å; D49-L63 HydrophobicContact CB-CD2 4.23Å; D49-L63 HydrophobicContact CB-CG 3.88Å; D49-K370 IonicContact OD1-NZ 2.8Å; D49-K370 PolarHBondContact OD1-NZ 3.35Å
50V91Very high87.2Confident6 Ų652.4 Ų52.44%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-112.5124.6-178.2177.90000108.6L9 V28 L48 Y58 S59 I374L9-V50 HydrophobicContact CD1-CG1 4.42Å; L9-V50 HydrophobicContact CD2-CG1 4.27Å; L9-V50 HydrophobicContact CD2-CG2 3.96Å; V28-V50 HydrophobicContact CB-CG2 3.87Å; V28-V50 HydrophobicContact CG2-CB 4.08Å; V28-V50 HydrophobicContact CG2-CG2 3.47Å; V28-V50 VanDerWaalsContact CG2-CG2 3.47Å; L48-V50 HydrophobicContact CB-CG2 4.41Å; V50-Y58 HydrophobicContact CG1-CD1 4.02Å; V50-S59 WeakPolarHBondContact CA-O 3.5Å; V50-I374 HydrophobicContact CG1-CD1 4.36Å; V50-I374 VanDerWaalsContact O-CD1 3.28Å; V50-I374 WeakPolarHBondContact O-CD1 3.29Å
51Q88.4Confident88.1Confident112 Ų11251.6 Ų51.652%0.52327%0.27SS..EExtended strand (participates in β ladder)trans-127.3147.9-178.6-60.3-174.911.100110.5D49 Y58 S59D49-Q51 PolarHBondContact OD2-NE2 2.9Å; Q51-Y58 WeakPolarHBondContact O-CA 3.36Å; Q51-S59 PolarHBondContact N-O 2.78Å; Q51-S59 PolarHBondContact O-N 3.21Å
52M84.5Confident88.7Confident74 Ų7452.4 Ų52.437%0.36528%0.275SS..EExtended strand (participates in β ladder)trans-90110.3174-172.3175.26100109G54 Q57 Y58M52-G54 WeakPolarHBondContact CG-O 3.21Å; M52-Q57 WeakPolarHBondContact CA-O 3.28Å; M52-Q57 WeakPolarHBondContact CG-O 3.16Å; M52-Y58 HydrophobicContact CB-CE1 4.4Å
53V83.4Confident89Confident105 Ų10548.3 Ų48.364%0.63626%0.259SS*.EExtended strand (participates in β ladder)trans-96.3-6.3-173.8-175.70000112.1Q57 S59V53-Q57 PolarHBondContact N-O 2.84Å; V53-S59 VanDerWaalsContact CG2-CB 3.45Å
54G74.9Confident89.1Confident31 Ų3150.8 Ų50.832%0.3227%0.271SS..EExtended strand (participates in β ladder)trans-169.1-166.5177.800000113.6M52 N56M52-G54 WeakPolarHBondContact CG-O 3.21Å; G54-N56 PolarHBondContact O-N 3.31Å
55K71Confident89.1Confident197 Ų19753.6 Ų53.686%0.85729%0.29SS*.THydrogen-bonded Turntrans-66.6101.1175.7-72.2-178.1-178.7174.40109.7Q57K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 2.77Å
56N72.9Confident89Confident53 Ų5355.1 Ų55.128%0.28330%0.297SS..THydrogen-bonded Turntrans64.124.7179.5-52.4-15000114.6G54 N378 T397G54-N56 PolarHBondContact O-N 3.31Å; N56-N378 PolarHBondContact ND2-OD1 3.5Å; N56-N378 VanDerWaalsContact ND2-OD1 3.17Å; N56-N378 VanDerWaalsContact OD1-CG 3.31Å; N56-N378 PolarHBondContact OD1-ND2 2.83Å; N56-N378 PolarHBondContact OD1-OD1 2.86Å; N56-N378 VanDerWaalsContact OD1-OD1 3.06Å; N56-T397 WeakPolarHBondContact ND2-CG2 3.28Å
57Q84Confident88.8Confident117 Ų11758.3 Ų58.355%0.54732%0.315SS..EExtended strand (participates in β ladder)trans-113.3133.4174.6-70.1-176.41.300109.9M52 V53 K55M52-Q57 WeakPolarHBondContact CA-O 3.28Å; M52-Q57 WeakPolarHBondContact CG-O 3.16Å; V53-Q57 PolarHBondContact N-O 2.84Å; K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 2.77Å
58Y88.9Confident88.5Confident30 Ų3058.6 Ų58.612%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-114.3138.7-179.4-65.8-91.7000108.6V50 Q51 M52 L365 I374 V393 T395V50-Y58 HydrophobicContact CG1-CD1 4.02Å; Q51-Y58 WeakPolarHBondContact O-CA 3.36Å; M52-Y58 HydrophobicContact CB-CE1 4.4Å; Y58-L365 HydrophobicContact CD1-CD1 4.29Å; Y58-L365 HydrophobicContact CE1-CD1 3.85Å; Y58-I374 HydrophobicContact CE1-CG1 4.09Å; Y58-I374 WeakPolarHBondContact CE1-O 3.25Å; Y58-I374 PolarHBondContact OH-O 2.89Å; Y58-V393 HydrophobicContact CD2-CB 4.34Å; Y58-V393 HydrophobicContact CD2-CG1 3.62Å; Y58-V393 HydrophobicContact CD2-CG2 4.49Å; Y58-V393 HydrophobicContact CE2-CG1 3.9Å; Y58-V393 HydrophobicContact CG-CG1 4.18Å; Y58-V393 HydrophobicContact CG-CG2 4.35Å; Y58-T395 HydrophobicContact CD2-CG2 4.22Å; Y58-T395 HydrophobicContact CE2-CG2 3.5Å
59S90.6Very high88.1Confident59 Ų5964.3 Ų64.341%0.41335%0.347SS..EExtended strand (participates in β ladder)trans-116.9148.5168.3-171.20000108.3V50 Q51 V53V50-S59 WeakPolarHBondContact CA-O 3.5Å; Q51-S59 PolarHBondContact N-O 2.78Å; Q51-S59 PolarHBondContact O-N 3.21Å; V53-S59 VanDerWaalsContact CG2-CB 3.45Å
60S92.8Very high87.8Confident25 Ų2567.1 Ų67.118%0.17537%0.365CS..EExtended strand (participates in β ladder)trans-122.1146171.371.60000110.8L9 D49L9-S60 PolarHBondContact O-OG 2.82Å; D49-S60 CarbonylContact O-C 3.56Å; D49-S60 VanDerWaalsContact O-CA 3.28Å; D49-S60 WeakPolarHBondContact O-CA 3.44Å
61S92.4Very high87.7Confident52 Ų5269.7 Ų69.736%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-122.9135.1167.957.60000109.4L48 D49 L63L48-S61 CarbonylContact C-O 3.57Å; L48-S61 VanDerWaalsContact CA-O 3.3Å; L48-S61 WeakPolarHBondContact CA-O 3Å; D49-S61 PolarHBondContact N-O 2.93Å; D49-S61 PolarHBondContact O-N 3.16Å; S61-L63 PolarHBondContact O-N 2.88Å
62L94.6Very high87.9Confident79 Ų7964.6 Ų64.641%0.41435%0.351SS..EExtended strand (participates in β ladder)trans-76.9115.1173.8178.567.5000108.6Y10 H46 L48 H64Y10-L62 HydrophobicContact CE2-CB 4.48Å; H46-L62 HydrophobicContact CB-CD1 3.81Å; L48-L62 HydrophobicContact CD2-CB 4.21Å; L48-L62 HydrophobicContact CD2-CD1 3.75Å; L62-H64 WeakPolarHBondContact CD1-O 3.26Å
63L93.4Very high88.5Confident50 Ų5061.1 Ų61.126%0.26233%0.334SS..EExtended strand (participates in β ladder)trans-90.3-38.9177.7-66.7-172.4000112.3L27 F47 D49 S61 V148 I150L27-L63 HydrophobicContact CD2-CD1 3.69Å; F47-L63 PolarHBondContact O-N 2.87Å; D49-L63 HydrophobicContact CB-CD1 3.75Å; D49-L63 HydrophobicContact CB-CD2 4.23Å; D49-L63 HydrophobicContact CB-CG 3.88Å; S61-L63 PolarHBondContact O-N 2.88Å; L63-V148 HydrophobicContact CD1-CG1 4.06Å; L63-I150 HydrophobicContact CB-CD1 3.63Å; L63-I150 HydrophobicContact CB-CG1 4.39Å; L63-I150 HydrophobicContact CD1-CD1 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.44Å
64H94.8Very high89Confident52 Ų5258.7 Ų58.724%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-153.4146-178.2-174.876.8000111.6F47 L62 I150F47-H64 HydrophobicContact CB-CB 4.25Å; F47-H64 HydrophobicContact CD2-CB 4.11Å; F47-H64 AromaticContact CD2-CD2 3.84Å; F47-H64 AromaticContact CE2-CD2 3.97Å; F47-H64 HydrophobicContact CG-CB 4.45Å; F47-H64 PolarHBondContact N-O 2.79Å; F47-H64 PolarHBondContact O-N 2.9Å; L62-H64 WeakPolarHBondContact CD1-O 3.26Å; H64-I150 HydrophobicContact CB-CB 3.78Å; H64-I150 HydrophobicContact CB-CD1 4.15Å; H64-I150 HydrophobicContact CB-CG1 4.42Å; H64-I150 HydrophobicContact CB-CG2 4.31Å; H64-I150 PolarHBondContact ND1-O 3.02Å
65S95Very high90.1Very high61 Ų6157.8 Ų57.843%0.42731%0.305SS..EExtended strand (participates in β ladder)trans-123.9116.1172.9178.80000107.6H46H46-S65 PolarHBondContact CD2-OG 3.4Å; H46-S65 PolarHBondContact NE2-OG 2.97Å
66H95.3Very high91.3Very high32 Ų3248.4 Ų48.415%0.14826%0.264CS..EExtended strand (participates in β ladder)trans-102.8114.4176.9-177.472.7000109.1A44 V45 F47 M94 V152A44-H66 CarbonylContact C-O 3.57Å; A44-H66 WeakPolarHBondContact CA-O 3.39Å; A44-H66 VanDerWaalsContact CB-O 3.23Å; A44-H66 WeakPolarHBondContact CB-O 3.3Å; V45-H66 HydrophobicContact CB-CB 4.41Å; V45-H66 PolarHBondContact N-O 3.36Å; V45-H66 PolarHBondContact O-N 2.89Å; F47-H66 HydrophobicContact CE2-CB 4.27Å; H66-M94 VanDerWaalsContact CD2-SD 3.53Å; H66-V152 HydrophobicContact CB-CB 4.44Å; H66-V152 HydrophobicContact CB-CG1 4.42Å; H66-V152 HydrophobicContact CB-CG2 4.35Å
67D92.6Very high92.5Very high74 Ų7446.1 Ų46.140%0.39625%0.252SS..EExtended strand (participates in β ladder)trans-70.7135.5179.3-153.8-39.2000110.2N43 D69N43-D67 VanDerWaalsContact O-OD1 3.07Å; D67-D69 PolarHBondContact OD1-N 3.47Å
68T91Very high93.1Very high6 Ų642.2 Ų42.24%0.03724%0.236CC..  trans-109.924.2176.662.50000112.1N43 V45 T70 R71N43-T68 VanDerWaalsContact C-OG1 3.26Å; N43-T68 WeakPolarHBondContact CB-OG1 3.3Å; N43-T68 PolarHBondContact O-N 2.8Å; N43-T68 PolarHBondContact O-OG1 2.74Å; V45-T68 HydrophobicContact CG2-CG2 3.91Å; T68-T70 PolarHBondContact O-N 2.79Å; T68-R71 PolarHBondContact O-N 3.06Å; T68-R71 VanDerWaalsContact O-N 3.1Å; T68-R71 PolarHBondContact OG1-O 2.91Å
69D86.5Confident93.2Very high119 Ų11941.3 Ų41.364%0.63624%0.236SC*.THydrogen-bonded Turntrans56.6-121176.2-58.3-48.1000111.6N43 D67N43-D69 PolarHBondContact ND2-O 2.85Å; D67-D69 PolarHBondContact OD1-N 3.47Å
70T85.3Confident93.1Very high76 Ų7643.6 Ų43.647%0.46624%0.244SC..THydrogen-bonded Turntrans-87.8-8.1-177.958.60000113.4N43 T68N43-T70 PolarHBondContact ND2-O 2.95Å; T68-T70 PolarHBondContact O-N 2.79Å
71R89.3Confident93Very high60 Ų6043 Ų4323%0.22624%0.242CC..  trans-100.8118.1-170-58-175.4-68.2-160-1110.6N43 T68 Q87 E157N43-R71 VanDerWaalsContact CB-O 3.26Å; N43-R71 WeakPolarHBondContact CB-O 3.39Å; T68-R71 PolarHBondContact O-N 3.06Å; T68-R71 VanDerWaalsContact O-N 3.1Å; T68-R71 PolarHBondContact OG1-O 2.91Å; R71-Q87 HydrophobicContact CB-CB 3.9Å; R71-Q87 HydrophobicContact CB-CG 4.12Å; R71-E157 IonicContact CZ-OE1 3.5Å; R71-E157 IonicContact CZ-OE2 3.76Å; R71-E157 VanDerWaalsContact NH1-CD 3.29Å; R71-E157 IonicContact NH1-OE1 3.3Å; R71-E157 PolarHBondContact NH1-OE1 3.17Å; R71-E157 IonicContact NH1-OE2 2.77Å; R71-E157 PolarHBondContact NH1-OE2 3.06Å; R71-E157 VanDerWaalsContact NH1-OE2 3.09Å; R71-E157 IonicContact NH2-OE2 2.62Å
72A93Very high93.2Very high5 Ų540.6 Ų40.64%0.04123%0.225CC..  trans-73.5132.7173.400000109.8Y17 I74Y17-A72 HydrophobicContact CE2-CB 4.22Å; A72-I74 HydrophobicContact CB-CD1 4.24Å; A72-I74 PolarHBondContact O-N 3.12Å
73T96Very high93.3Very high0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-84.6112.2175-62.10000109.5T18 A31 A85 G86 Q87T18-T73 HydrophobicContact CG2-CG2 4.36Å; A31-T73 HydrophobicContact CB-CG2 3.62Å; T73-A85 HydrophobicContact CG2-CB 3.73Å; T73-G86 CarbonylContact C-O 3.57Å; T73-G86 WeakPolarHBondContact CA-O 3.21Å; T73-Q87 PolarHBondContact OG1-NE2 3.28Å; T73-Q87 VanDerWaalsContact OG1-NE2 3.09Å
74I95.4Very high93.6Very high54 Ų5434.5 Ų34.528%0.27719%0.193SC..EExtended strand (participates in β ladder)trans-94.2-34.4-171.2-57.6-66.5000112.2Y17 A72 G86 L168Y17-I74 HydrophobicContact CD2-CD1 3.66Å; Y17-I74 HydrophobicContact CE2-CD1 3.76Å; Y17-I74 HydrophobicContact CG-CD1 4.1Å; A72-I74 HydrophobicContact CB-CD1 4.24Å; A72-I74 PolarHBondContact O-N 3.12Å; I74-G86 PolarHBondContact N-O 3.24Å; I74-L168 HydrophobicContact CG1-CD1 4.25Å
75N97Very high93.7Very high13 Ų1332 Ų327%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-143.8158.7177.148.667.9000110.3G86 Q169 K170 V172N75-G86 PolarHBondContact O-N 3.1Å; N75-G86 WeakPolarHBondContact OD1-CA 3.35Å; N75-G86 PolarHBondContact OD1-N 3.31Å; N75-Q169 PolarHBondContact ND2-O 2.88Å; N75-Q169 PolarHBondContact OD1-NE2 2.93Å; N75-K170 WeakPolarHBondContact ND2-CA 3.46Å; N75-K170 PolarHBondContact ND2-O 2.84Å; N75-V172 WeakPolarHBondContact OD1-CG1 3.25Å
76M97.6Very high93.8Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-148.3143.9-174.9-175.516861.100111.4T18 K20 I29 A31 V78 I83 A84 R173T18-M76 HydrophobicContact CG2-CB 3.54Å; T18-M76 HydrophobicContact CG2-CE 4.23Å; K20-M76 HydrophobicContact CB-CE 3.88Å; K20-M76 WeakPolarHBondContact CE-O 3.45Å; K20-M76 HydrophobicContact CG-CB 4.35Å; K20-M76 HydrophobicContact CG-CE 3.83Å; K20-M76 HydrophobicContact CG-CG 4.29Å; I29-M76 HydrophobicContact CB-CE 3.89Å; I29-M76 HydrophobicContact CG2-CE 3.64Å; I29-M76 HydrophobicContact CG2-SD 3.77Å; I29-M76 WeakPolarHBondContact O-CE 3.45Å; A31-M76 HydrophobicContact CB-SD 4.41Å; M76-V78 HydrophobicContact CE-CG2 4.38Å; M76-V78 HydrophobicContact CG-CG2 3.97Å; M76-V78 HydrophobicContact SD-CG2 4.17Å; M76-I83 HydrophobicContact CG-CG2 3.6Å; M76-I83 HydrophobicContact SD-CG2 3.53Å; M76-I83 VanDerWaalsContact SD-CG2 3.53Å; M76-A84 CarbonylContact C-O 3.57Å; M76-A84 VanDerWaalsContact CA-O 3.27Å; M76-A84 WeakPolarHBondContact CA-O 3.47Å; M76-R173 PolarHBondContact O-NH1 3.1Å
77A97.6Very high93.8Very high5 Ų527.7 Ų27.74%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-123.1145.1163.500000109.1I83 A84 V172 F174A77-I83 WeakPolarHBondContact O-CA 3.48Å; A77-A84 HydrophobicContact CB-CB 4.46Å; A77-A84 PolarHBondContact N-O 3.4Å; A77-A84 PolarHBondContact O-N 3.14Å; A77-V172 HydrophobicContact CB-CG1 4.16Å; A77-V172 HydrophobicContact CB-CG2 4.34Å; A77-F174 HydrophobicContact CB-CD2 3.78Å; A77-F174 HydrophobicContact CB-CE2 4.07Å
78V96.1Very high93.7Very high34 Ų3427.6 Ų27.621%0.20615%0.154CC..EExtended strand (participates in β ladder)trans-133.2133.7-178.7-177.80000108.7K20 D22 I29 M76 V82 I83 F96K20-V78 HydrophobicContact CB-CB 4.2Å; K20-V78 HydrophobicContact CB-CG2 3.58Å; K20-V78 HydrophobicContact CG-CG2 4.04Å; D22-V78 HydrophobicContact CB-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG2 4.12Å; M76-V78 HydrophobicContact CE-CG2 4.38Å; M76-V78 HydrophobicContact CG-CG2 3.97Å; M76-V78 HydrophobicContact SD-CG2 4.17Å; V78-V82 WeakPolarHBondContact CA-O 3.41Å; V78-I83 HydrophobicContact CG2-CG1 4.21Å; V78-F96 HydrophobicContact CG1-CE1 4.09Å; V78-F96 HydrophobicContact CG1-CZ 4.21Å
79G91.9Very high93.9Very high11 Ų1127.7 Ų27.711%0.11316%0.156CC..EExtended strand (participates in β ladder)trans-167.5142174.600000110.9G81 V82 M178G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 2.95Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G79-V82 PolarHBondContact N-O 3.08Å; G79-V82 WeakPolarHBondContact O-CA 3.17Å; G79-V82 WeakPolarHBondContact O-CB 3.19Å; G79-V82 PolarHBondContact O-N 3.11Å; G79-M178 VanDerWaalsContact C-CE 3.44Å; G79-M178 WeakPolarHBondContact O-CE 3.49Å
80D87.8Confident94.3Very high108 Ų10823 Ų2358%0.57813%0.131SC*.THydrogen-bonded Turntrans45.945.3177.6-63-11.1000115.6V82 M178D80-V82 PolarHBondContact O-N 2.73Å; D80-M178 HydrophobicContact CB-CE 4.2Å; D80-M178 WeakPolarHBondContact OD2-CG 3.4Å
81G91.6Very high94.9Very high13 Ų1319.3 Ų19.313%0.13411%0.109CC..THydrogen-bonded Turntrans69.916.2179.800000114.1G79 R95 F96G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 2.95Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G81-R95 WeakPolarHBondContact O-CA 3.43Å; G81-F96 VanDerWaalsContact O-CD1 3.28Å; G81-F96 WeakPolarHBondContact O-CD1 3.38Å; G81-F96 PolarHBondContact O-N 3.3Å
82V95.8Very high95.2Very high1 Ų116.7 Ų16.71%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-118.9140.6176.8-178.10000110.1V78 G79 D80 L93 M94 I155 F174 F195V78-V82 WeakPolarHBondContact CA-O 3.41Å; G79-V82 PolarHBondContact N-O 3.08Å; G79-V82 WeakPolarHBondContact O-CA 3.17Å; G79-V82 WeakPolarHBondContact O-CB 3.19Å; G79-V82 PolarHBondContact O-N 3.11Å; D80-V82 PolarHBondContact O-N 2.73Å; V82-L93 HydrophobicContact CG1-CD2 4.34Å; V82-M94 CarbonylContact C-O 3.53Å; V82-M94 WeakPolarHBondContact CA-O 3.49Å; V82-I155 HydrophobicContact CG1-CD1 3.83Å; V82-I155 HydrophobicContact CG2-CD1 4.04Å; V82-F174 HydrophobicContact CG1-CZ 4.09Å; V82-F195 HydrophobicContact CB-CZ 4.2Å; V82-F195 HydrophobicContact CG1-CE2 4.16Å; V82-F195 HydrophobicContact CG1-CZ 3.97Å; V82-F195 HydrophobicContact CG2-CZ 4.06Å
83I97.4Very high95.4Very high0 Ų016.5 Ų16.50%010%0.098CC..EExtended strand (participates in β ladder)trans-114128.6175.8-59.9169.4000106.9I29 V45 F47 M76 A77 V78 A85 L93 M94 F96I29-I83 HydrophobicContact CD1-CD1 4.03Å; I29-I83 HydrophobicContact CD1-CG1 4.28Å; I29-I83 HydrophobicContact CG2-CD1 4.22Å; V45-I83 HydrophobicContact CG1-CD1 4.39Å; F47-I83 HydrophobicContact CE1-CD1 3.72Å; F47-I83 HydrophobicContact CZ-CD1 3.5Å; F47-I83 VanDerWaalsContact CZ-CD1 3.5Å; M76-I83 HydrophobicContact CG-CG2 3.6Å; M76-I83 HydrophobicContact SD-CG2 3.53Å; M76-I83 VanDerWaalsContact SD-CG2 3.53Å; A77-I83 WeakPolarHBondContact O-CA 3.48Å; V78-I83 HydrophobicContact CG2-CG1 4.21Å; I83-A85 HydrophobicContact CG2-CB 4.32Å; I83-L93 CarbonylContact O-C 3.52Å; I83-L93 VanDerWaalsContact O-CA 3.28Å; I83-L93 WeakPolarHBondContact O-CA 3.48Å; I83-M94 HydrophobicContact CB-CB 4.31Å; I83-M94 HydrophobicContact CB-CE 4.37Å; I83-M94 HydrophobicContact CG2-CE 3.91Å; I83-M94 PolarHBondContact N-O 3.04Å; I83-M94 PolarHBondContact O-N 3.1Å; I83-F96 HydrophobicContact CD1-CD1 3.69Å; I83-F96 HydrophobicContact CD1-CE1 4.08Å; I83-F96 HydrophobicContact CG1-CD1 3.66Å; I83-F96 HydrophobicContact CG1-CE1 3.69Å
84A97.9Very high95.5Very high0 Ų016.5 Ų16.50%010%0.098CC..EExtended strand (participates in β ladder)trans-105.4116.8163.400000107.9M76 A77 L93 V172 F174 L181M76-A84 CarbonylContact C-O 3.57Å; M76-A84 VanDerWaalsContact CA-O 3.27Å; M76-A84 WeakPolarHBondContact CA-O 3.47Å; A77-A84 HydrophobicContact CB-CB 4.46Å; A77-A84 PolarHBondContact N-O 3.4Å; A77-A84 PolarHBondContact O-N 3.14Å; A84-L93 HydrophobicContact CB-CG 4.39Å; A84-V172 HydrophobicContact CB-CG2 3.83Å; A84-F174 HydrophobicContact CB-CE2 3.97Å; A84-F174 HydrophobicContact CB-CZ 3.8Å; A84-L181 HydrophobicContact CB-CD1 3.64Å
85A97.7Very high95.5Very high0 Ų018.1 Ų18.10%010%0.1CC..EExtended strand (participates in β ladder)trans-116.3119.6-173.300000110.6T73 I83 Q87 C91 S92 M94T73-A85 HydrophobicContact CG2-CB 3.73Å; I83-A85 HydrophobicContact CG2-CB 4.32Å; A85-Q87 PolarHBondContact O-N 2.85Å; A85-C91 WeakPolarHBondContact O-CA 3.3Å; A85-S92 PolarHBondContact N-O 3.31Å; A85-S92 PolarHBondContact O-N 3.38Å; A85-M94 HydrophobicContact CB-CE 3.41Å; A85-M94 VanDerWaalsContact CB-CE 3.41Å
86G97.1Very high95.4Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-77.1119.6173.500000111.7T73 I74 N75T73-G86 CarbonylContact C-O 3.57Å; T73-G86 WeakPolarHBondContact CA-O 3.21Å; I74-G86 PolarHBondContact N-O 3.24Å; N75-G86 PolarHBondContact O-N 3.1Å; N75-G86 WeakPolarHBondContact OD1-CA 3.35Å; N75-G86 PolarHBondContact OD1-N 3.31Å
87Q94.6Very high95.1Very high3 Ų323.9 Ų23.91%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-133.7104.7-174.6-75.3178.76.400107.9R71 T73 A85 G89 T90R71-Q87 HydrophobicContact CB-CB 3.9Å; R71-Q87 HydrophobicContact CB-CG 4.12Å; T73-Q87 PolarHBondContact OG1-NE2 3.28Å; T73-Q87 VanDerWaalsContact OG1-NE2 3.09Å; A85-Q87 PolarHBondContact O-N 2.85Å; Q87-G89 PolarHBondContact O-N 3.49Å; Q87-T90 PolarHBondContact N-O 3.34Å; Q87-T90 PolarHBondContact O-N 3.06Å; Q87-T90 PolarHBondContact O-OG1 2.99Å
88D92Very high94.6Very high72 Ų7226.7 Ų26.739%0.38514%0.139SC..THydrogen-bonded Turntrans52.9-127.6-171-50.6-43000110.9T90 P167 L168 Q169D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.75Å; D88-P167 CarbonylContact C-O 3.47Å; D88-L168 CarbonylContact O-C 3.55Å; D88-L168 WeakPolarHBondContact O-CA 3.26Å; D88-Q169 PolarHBondContact O-N 2.9Å
89G93.8Very high94Very high7 Ų727.5 Ų27.57%0.07215%0.145CC..THydrogen-bonded Turntrans-80.82.1176.300000115.6Q87 S160 D161 P167Q87-G89 PolarHBondContact O-N 3.49Å; G89-S160 VanDerWaalsContact C-OG 3.24Å; G89-S160 PolarHBondContact O-N 3.03Å; G89-S160 PolarHBondContact O-OG 3.07Å; G89-D161 PolarHBondContact O-N 3.18Å; G89-P167 PolarHBondContact N-O 3.43Å
90T96.1Very high93.4Very high20 Ų2032.5 Ų32.512%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-118.4159.3-173.377.40000113.1Q87 D88 E157 V158 L159 S160Q87-T90 PolarHBondContact N-O 3.34Å; Q87-T90 PolarHBondContact O-N 3.06Å; Q87-T90 PolarHBondContact O-OG1 2.99Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.75Å; T90-E157 WeakPolarHBondContact CB-OE1 3.28Å; T90-E157 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E157 PolarHBondContact OG1-OE1 2.69Å; T90-V158 WeakPolarHBondContact CA-O 3.16Å; T90-L159 HydrophobicContact CG2-CD2 3.69Å; T90-S160 VanDerWaalsContact CA-OG 3.31Å; T90-S160 WeakPolarHBondContact CA-OG 3.48Å; T90-S160 PolarHBondContact N-OG 3.27Å
91C97.2Very high92.1Very high0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-116110.5172.1-162.80000108.9A85 E157 V158 S160 T183A85-C91 WeakPolarHBondContact O-CA 3.3Å; C91-E157 WeakPolarHBondContact O-CA 3.42Å; C91-V158 HydrophobicContact CB-CG2 3.66Å; C91-V158 PolarHBondContact N-O 3.43Å; C91-V158 PolarHBondContact O-N 3.31Å; C91-S160 PolarHBondContact N-OG 3.2Å; C91-T183 HydrophobicContact CB-CG2 4.24Å
92S96.6Very high90.2Very high5 Ų540.1 Ų40.14%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-89.6127.3175.7-178.10000110.1A85A85-S92 PolarHBondContact N-O 3.31Å; A85-S92 PolarHBondContact O-N 3.38Å
93L97.1Very high87.8Confident0 Ų046.1 Ų46.10%022%0.223CC..EExtended strand (participates in β ladder)trans-100.5126.2176.1-72.393.9000110.8V82 I83 A84 I155 A156 V158 L181 F195 L198V82-L93 HydrophobicContact CG1-CD2 4.34Å; I83-L93 CarbonylContact O-C 3.52Å; I83-L93 VanDerWaalsContact O-CA 3.28Å; I83-L93 WeakPolarHBondContact O-CA 3.48Å; A84-L93 HydrophobicContact CB-CG 4.39Å; L93-I155 HydrophobicContact CB-CB 4.34Å; L93-I155 PolarHBondContact O-N 2.56Å; L93-A156 PolarHBondContact N-O 3.09Å; L93-A156 PolarHBondContact O-N 3.35Å; L93-V158 HydrophobicContact CD1-CG2 4.49Å; L93-L181 HydrophobicContact CD1-CD2 4.06Å; L93-L181 HydrophobicContact CD2-CD2 4.29Å; L93-F195 HydrophobicContact CD2-CD2 3.95Å; L93-F195 HydrophobicContact CD2-CE2 3.57Å; L93-L198 HydrophobicContact CD1-CD1 3.92Å; L93-L198 HydrophobicContact CD1-CD2 4.11Å; L93-L198 HydrophobicContact CD2-CD1 4.24Å; L93-L198 HydrophobicContact CD2-CD2 3.93Å
94M96.3Very high85Confident1 Ų154.7 Ų54.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-123.9134.8-179.3-69165.3-78.900110.5V45 H66 V82 I83 A85 V152 T153 N154V45-M94 HydrophobicContact CG2-CE 4.31Å; H66-M94 VanDerWaalsContact CD2-SD 3.53Å; V82-M94 CarbonylContact C-O 3.53Å; V82-M94 WeakPolarHBondContact CA-O 3.49Å; I83-M94 HydrophobicContact CB-CB 4.31Å; I83-M94 HydrophobicContact CB-CE 4.37Å; I83-M94 HydrophobicContact CG2-CE 3.91Å; I83-M94 PolarHBondContact N-O 3.04Å; I83-M94 PolarHBondContact O-N 3.1Å; A85-M94 HydrophobicContact CB-CE 3.41Å; A85-M94 VanDerWaalsContact CB-CE 3.41Å; M94-V152 HydrophobicContact CB-CG1 3.99Å; M94-V152 HydrophobicContact CG-CG1 4.28Å; M94-V152 HydrophobicContact SD-CG1 4.29Å; M94-T153 CarbonylContact C-O 3.57Å; M94-T153 WeakPolarHBondContact CA-O 3.2Å; M94-N154 WeakPolarHBondContact CG-OD1 3.47Å
95R95.8Very high82Confident87 Ų8761.7 Ų61.733%0.32830%0.301SS..EExtended strand (participates in β ladder)trans-96.2131.3168.5-170.7167.6-68.6-812.8108.9G81 V152 T153 I155G81-R95 WeakPolarHBondContact O-CA 3.43Å; R95-V152 CarbonylContact O-C 3.57Å; R95-V152 WeakPolarHBondContact O-CA 3.38Å; R95-T153 PolarHBondContact N-O 2.94Å; R95-T153 PolarHBondContact O-N 2.95Å; R95-T153 PolarHBondContact O-OG1 2.9Å; R95-I155 HydrophobicContact CB-CD1 3.65Å; R95-I155 HydrophobicContact CB-CG1 3.81Å
96F95Very high78.9Confident5 Ų566.1 Ų66.12%0.02233%0.331CS..EExtended strand (participates in β ladder)trans-114.5143.9169.966.9-82.5000110.5D22 T25 L27 I29 F47 V78 G81 I83 I150 T151 V152D22-F96 HydrophobicContact CB-CZ 4.22Å; D22-F96 WeakPolarHBondContact OD2-CZ 3.33Å; T25-F96 HydrophobicContact CG2-CE2 3.96Å; L27-F96 HydrophobicContact CD1-CD2 4.18Å; L27-F96 HydrophobicContact CD1-CE2 4.02Å; I29-F96 HydrophobicContact CD1-CE1 3.99Å; I29-F96 HydrophobicContact CD1-CE2 4.45Å; I29-F96 HydrophobicContact CD1-CZ 3.89Å; F47-F96 HydrophobicContact CD1-CD2 4.48Å; F47-F96 HydrophobicContact CE1-CB 3.8Å; F47-F96 HydrophobicContact CE1-CD1 4.08Å; F47-F96 AromaticContact CE1-CD2 3.99Å; F47-F96 HydrophobicContact CE1-CD2 3.99Å; F47-F96 AromaticContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CZ-CB 4.08Å; F47-F96 HydrophobicContact CZ-CG 4.38Å; V78-F96 HydrophobicContact CG1-CE1 4.09Å; V78-F96 HydrophobicContact CG1-CZ 4.21Å; G81-F96 VanDerWaalsContact O-CD1 3.28Å; G81-F96 WeakPolarHBondContact O-CD1 3.38Å; G81-F96 PolarHBondContact O-N 3.3Å; I83-F96 HydrophobicContact CD1-CD1 3.69Å; I83-F96 HydrophobicContact CD1-CE1 4.08Å; I83-F96 HydrophobicContact CG1-CD1 3.66Å; I83-F96 HydrophobicContact CG1-CE1 3.69Å; F96-I150 HydrophobicContact CB-CG2 4.21Å; F96-T151 VanDerWaalsContact CA-O 3.3Å; F96-T151 WeakPolarHBondContact CA-O 3.31Å; F96-V152 HydrophobicContact CB-CG2 4.15Å
97K91.8Very high75.9Confident129 Ų12972.2 Ų72.256%0.56137%0.369SS*.EExtended strand (participates in β ladder)trans-132.8139.7175.3-66.9-177179.8178.80109.8I150 T151K97-I150 WeakPolarHBondContact O-CA 3.33Å; K97-T151 PolarHBondContact N-O 2.87Å; K97-T151 PolarHBondContact O-N 2.76Å
98L87.6Confident73Confident65 Ų6580.6 Ų80.634%0.3441%0.408SS..EExtended strand (participates in β ladder)trans-90.8117.2173.2-162.172.6000108.7V148 I150L98-V148 HydrophobicContact CD1-CG1 3.22Å; L98-V148 HydrophobicContact CD2-CG1 4.33Å; L98-V148 HydrophobicContact CG-CG1 3.83Å; L98-I150 HydrophobicContact CD1-CD1 4.32Å; L98-I150 HydrophobicContact CD1-CG1 3.7Å
99C82.5Confident70.4Confident50 Ų5088.2 Ų88.234%0.33843%0.431SS..EExtended strand (participates in β ladder)trans-111.4127.1176.9-670000109.5Q149C99-Q149 PolarHBondContact N-O 2.82Å; C99-Q149 PolarHBondContact O-N 3.48Å
100L78.9Confident67.3Low117 Ų11795.9 Ų95.961%0.61347%0.47SS*.EExtended strand (participates in β ladder)trans-89.8109.2169.7-63.7172.9000107.6V148L100-V148 HydrophobicContact CD2-CG2 3.94Å
101Q62.3Low64.2Low99 Ų9998.1 Ų98.146%0.46350%0.497SS..EExtended strand (participates in β ladder)trans-82.4129.6168.1-71.4-162.20.800109T147Q101-T147 PolarHBondContact N-O 3.35Å
102K50.6Low60.9Low182 Ų182106.4 Ų106.479%0.79154%0.542SS*.  trans-87.4120159.5-74.1178.1178.3175.90106.2E104K102-E104 PolarHBondContact O-N 2.69Å
103E44.9Very low57.7Low127 Ų127110.5 Ų110.559%0.59358%0.575SS**  trans-61.8102.3165.5-75.9-176.3155.400107.8N105E103-N105 PolarHBondContact O-N 3.32Å
104E38.3Very low54.5Low179 Ų179118 Ų11884%0.83662%0.615SS**  trans-75.2112.1159.7-76.6-174.316900107K102 S106K102-E104 PolarHBondContact O-N 2.69Å; E104-S106 PolarHBondContact O-N 3.25Å
105N35Very low51.2Low148 Ų148125.9 Ų125.979%0.79165%0.652SS**  trans-59.687.2166-92.3-23.6000108.9E103 T107E103-N105 PolarHBondContact O-N 3.32Å; N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 3.44Å
106S34.6Very low48Very low93 Ų93128.7 Ų128.765%0.6567%0.672SS**  trans-71.991.2166.853.60000108.3E104 H108E104-S106 PolarHBondContact O-N 3.25Å; S106-H108 PolarHBondContact O-N 2.93Å
107T33.8Very low44.6Very low128 Ų128134.2 Ų134.279%0.78571%0.711SS**  trans-66.489.5160.241.70000107.9N105 R109N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 3.44Å; T107-R109 PolarHBondContact O-N 3.49Å
108H33.5Very low41.6Very low179 Ų179135.5 Ų135.583%0.82972%0.724SS**  trans-68.485.2161.9-86.7-70.8000108.8S106S106-H108 PolarHBondContact O-N 2.93Å
109R35.9Very low38.7Very low231 Ų231137 Ų13787%0.87275%0.746SS**  trans-96.5105.3148-87-175.5177.4177.30.5106.5T107T107-R109 PolarHBondContact O-N 3.49Å
110D29.9Very low36.2Very low169 Ų169146.4 Ų146.490%0.90478%0.775SS**  trans-153.7127.8135.4-99.6-24.4000109.4
111G30.1Very low33.8Very low66 Ų66152.4 Ų152.468%0.6879%0.789SS**  trans-85.4152.8-173.100000112.2
112N28.8Very low32.1Very low175 Ų175159.8 Ų159.894%0.93681%0.813SS**  trans-138.5126.3143.2-90-32.4000108
113A29.8Very low30.9Very low90 Ų90156.8 Ų156.874%0.74482%0.815SS**  trans-90168.6177.200000111.1
114L28.7Very low30.1Very low158 Ų158154.6 Ų154.683%0.82783%0.826SS**  trans96.5124.5176.2-54.6157.1000112.2
115E27.3Very low29.6Very low167 Ų167155.7 Ų155.778%0.7883%0.828SS**  cis-160.6169.511.5-118.3179.4-176.300110.9
116L28.3Very low29.2Very low145 Ų145153.1 Ų153.176%0.75983%0.828SS**  trans-38.8145.7-172.5-7578.4000119
117S24.6Very low28.9Very low121 Ų121152.7 Ų152.785%0.84684%0.838SS**  -173.2148.4106.855.60000113.8
118N27.2Very low28.6Very low156 Ų156157 Ų15783%0.83485%0.846SS**  trans-75.3140.7-166.8-68.3-53.8000114.8
119A28.7Very low28.2Very low97 Ų97152.1 Ų152.180%0.80284%0.843SS**  trans-158.493145.100000114
120R28.6Very low27.7Very low248 Ų248148.6 Ų148.694%0.93684%0.842SS**  trans48.5105.4140.5-66.5179.1-179.5168.80.9120.2
121R28.1Very low27.7Very low242 Ų242147.8 Ų147.891%0.91384%0.837SS**  trans-47.7142.3149-72174170169.9-3.3112.8
122R27.8Very low27.5Very low255 Ų255153.1 Ų153.196%0.96284%0.844SS**  trans-123.2113.5142.9-109.7-179.4177.4169.7-0.6109
123S25.4Very low27.5Very low118 Ų118152.5 Ų152.583%0.82584%0.841SS**  trans-80.5134.1174.559.40000110.9
124G27.2Very low27.3Very low81 Ų81159.7 Ų159.784%0.83585%0.849SS**  trans-117.5124.7159.300000109
125K28.8Very low27.5Very low202 Ų202157.6 Ų157.688%0.87885%0.847SS**  trans-94.7120.1-159.9-173.3177.5-178.5-178.60112.3
126A27Very low27.6Very low95 Ų95155.9 Ų155.979%0.78585%0.848SS**  trans49.9125.8131.900000122.1
127G26.5Very low27.7Very low83 Ų83155.8 Ų155.886%0.85685%0.854SS**  trans-136.3114148.700000109.3
128K27.4Very low27.8Very low219 Ų219153.1 Ų153.195%0.95285%0.846SS**  trans-82.7141.8175.5-92.6179170.3-179.70110.1
129G25.9Very low28Very low76 Ų76153.4 Ų153.478%0.78485%0.847SS**  trans-161.1106.9160.400000110
130N25.2Very low28.4Very low157 Ų157154.7 Ų154.784%0.8485%0.845SS**  trans-61.5145.3173.4-81.5-16.2000111.4
131L30Very low28.8Very low152 Ų152147.3 Ų147.380%0.79683%0.831SS**  trans-170.1115.1131.5-103.6135.1000111.8
132E26.5Very low29.3Very low179 Ų179142.7 Ų142.784%0.83682%0.824SS**  trans59.1115.6141.2-68.1178.3178.100123.7
133N27.6Very low30Very low162 Ų162136 Ų13687%0.86681%0.813SS**  trans-9.7125.3142.2-73.9-19.8000117.9
134R26.7Very low30.8Very low240 Ų240140.4 Ų140.491%0.90681%0.811SS**  -164.4124115.1-113.3169.6169.3164-3.5111.6T136R134-T136 PolarHBondContact O-N 3.31Å
135S33.3Very low31.8Very low115 Ų115141.7 Ų141.780%0.80480%0.799SS**  trans-59.2123.2167.152.60000111.2
136T28.2Very low33.3Very low130 Ų130137 Ų13780%0.79878%0.78SS**  trans-138.3114.2145.147.70000106.4R134 G138R134-T136 PolarHBondContact O-N 3.31Å; T136-G138 PolarHBondContact O-N 3.14Å
137T30.2Very low35.3Very low144 Ų144135.5 Ų135.588%0.88376%0.761SS**  trans-37.4102.6166.143.40000110.4D139T137-D139 PolarHBondContact O-N 3.1Å
138G28.6Very low38Very low65 Ų65134.2 Ų134.267%0.6774%0.736SS**  trans-75100.2167.800000107.6T136 V140T136-G138 PolarHBondContact O-N 3.14Å; G138-V140 PolarHBondContact O-N 3.43Å
139D29.8Very low40.9Very low162 Ų162128 Ų12887%0.86671%0.711SS**  trans-60.492.2153.9-102.6-18.6000106.1T137 S141T137-D139 PolarHBondContact O-N 3.1Å; D139-S141 PolarHBondContact O-N 2.95Å
140V38.6Very low44Very low123 Ų123124.6 Ų124.675%0.74567%0.674SS**  trans-6891.4158.4179.30000103.8G138 D142G138-V140 PolarHBondContact O-N 3.43Å; V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.78Å
141S36.9Very low47.3Very low93 Ų93119.7 Ų119.765%0.6565%0.65SS**  trans-58.9105.7166.148.20000106.4D139 T143D139-S141 PolarHBondContact O-N 2.95Å; S141-T143 PolarHBondContact O-N 2.91Å
142D37Very low50.4Low145 Ų145113.6 Ų113.678%0.77562%0.619SS**  trans-47.396166.8-79.1-36.8000107.6V140 R144V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.78Å; D142-R144 PolarHBondContact O-N 3.45Å
143T42.9Very low53.6Low116 Ų116108.8 Ų108.871%0.71260%0.602SS**  trans-70.693.4170120000103.7S141 N145S141-T143 PolarHBondContact O-N 2.91Å; T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 2.58Å
144R43.3Very low56.8Low210 Ų210106.1 Ų106.179%0.79259%0.588SS**  trans-55.999.4172.9-69.3-179179172.31107D142 E146D142-R144 PolarHBondContact O-N 3.45Å; R144-E146 HydrophobicContact CB-CG 4.37Å; R144-E146 PolarHBondContact O-N 3.23Å
145N47.7Very low60Low108 Ų10898.5 Ų98.558%0.57856%0.564SS**  trans-74.280.9170.2-77.7-20.5000107T143 T147T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 2.58Å; N145-T147 VanDerWaalsContact C-N 3.32Å; N145-T147 PolarHBondContact O-N 3.09Å
146E59.9Low62.9Low104 Ų10494.6 Ų94.649%0.48654%0.539SS..  trans-69.194.5168.4-66.7-176.8176.800107.6R144 V148R144-E146 HydrophobicContact CB-CG 4.37Å; R144-E146 PolarHBondContact O-N 3.23Å; E146-V148 PolarHBondContact O-N 2.81Å
147T70.2Confident66.1Low62 Ų6293 Ų9338%0.3852%0.523SS..EExtended strand (participates in β ladder)trans-76.2114.117755.80000109.1Q101 N145 Q149Q101-T147 PolarHBondContact N-O 3.35Å; N145-T147 VanDerWaalsContact C-N 3.32Å; N145-T147 PolarHBondContact O-N 3.09Å; T147-Q149 PolarHBondContact O-N 2.87Å
148V82.4Confident69.3Low57 Ų5786.7 Ų86.735%0.34548%0.484SS..EExtended strand (participates in β ladder)trans-76.1117.7174.4179.50000108.7L63 L98 L100 E146L63-V148 HydrophobicContact CD1-CG1 4.06Å; L98-V148 HydrophobicContact CD1-CG1 3.22Å; L98-V148 HydrophobicContact CD2-CG1 4.33Å; L98-V148 HydrophobicContact CG-CG1 3.83Å; L100-V148 HydrophobicContact CD2-CG2 3.94Å; E146-V148 PolarHBondContact O-N 2.81Å
149Q87.4Confident72.5Confident88 Ų8888.6 Ų88.641%0.41148%0.478SS..EExtended strand (participates in β ladder)trans-110.2138.1174.7-167.3-178.713.100110C99 T147C99-Q149 PolarHBondContact N-O 2.82Å; C99-Q149 PolarHBondContact O-N 3.48Å; T147-Q149 PolarHBondContact O-N 2.87Å
150I92.3Very high75.5Confident4 Ų480.9 Ų80.92%0.02144%0.437CS..EExtended strand (participates in β ladder)trans-107.2128.7171.2-59.8170.9000108.3L27 F47 L63 H64 F96 K97 L98 V152L27-I150 HydrophobicContact CD1-CD1 3.74Å; L27-I150 HydrophobicContact CD2-CD1 4.2Å; F47-I150 HydrophobicContact CB-CD1 3.51Å; F47-I150 HydrophobicContact CD1-CD1 4.18Å; F47-I150 HydrophobicContact CD1-CG2 4.36Å; F47-I150 HydrophobicContact CG-CD1 3.99Å; F47-I150 HydrophobicContact CG-CG2 4.47Å; L63-I150 HydrophobicContact CB-CD1 3.63Å; L63-I150 HydrophobicContact CB-CG1 4.39Å; L63-I150 HydrophobicContact CD1-CD1 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.44Å; H64-I150 HydrophobicContact CB-CB 3.78Å; H64-I150 HydrophobicContact CB-CD1 4.15Å; H64-I150 HydrophobicContact CB-CG1 4.42Å; H64-I150 HydrophobicContact CB-CG2 4.31Å; H64-I150 PolarHBondContact ND1-O 3.02Å; F96-I150 HydrophobicContact CB-CG2 4.21Å; K97-I150 WeakPolarHBondContact O-CA 3.33Å; L98-I150 HydrophobicContact CD1-CD1 4.32Å; L98-I150 HydrophobicContact CD1-CG1 3.7Å; I150-V152 HydrophobicContact CG2-CG2 4.01Å
151T93.6Very high78.2Confident54 Ų5475.3 Ų75.333%0.33140%0.403SS..EExtended strand (participates in β ladder)trans-105.6127.717059.90000109F96 K97F96-T151 VanDerWaalsContact CA-O 3.3Å; F96-T151 WeakPolarHBondContact CA-O 3.31Å; K97-T151 PolarHBondContact N-O 2.87Å; K97-T151 PolarHBondContact O-N 2.76Å
152V94.9Very high81Confident24 Ų2475.1 Ų75.115%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-114.7130.6176.4-174.90000108.8F47 H66 M94 R95 F96 I150F47-V152 HydrophobicContact CD2-CG2 4.47Å; F47-V152 HydrophobicContact CE2-CG2 3.6Å; F47-V152 HydrophobicContact CZ-CG2 3.6Å; H66-V152 HydrophobicContact CB-CB 4.44Å; H66-V152 HydrophobicContact CB-CG1 4.42Å; H66-V152 HydrophobicContact CB-CG2 4.35Å; M94-V152 HydrophobicContact CB-CG1 3.99Å; M94-V152 HydrophobicContact CG-CG1 4.28Å; M94-V152 HydrophobicContact SD-CG1 4.29Å; R95-V152 CarbonylContact O-C 3.57Å; R95-V152 WeakPolarHBondContact O-CA 3.38Å; F96-V152 HydrophobicContact CB-CG2 4.15Å; I150-V152 HydrophobicContact CG2-CG2 4.01Å
153T95Very high83.7Confident79 Ų7970 Ų7049%0.48537%0.367SS..EExtended strand (participates in β ladder)trans-130.4130.6-179.451.20000109.9M94 R95 I155M94-T153 CarbonylContact C-O 3.57Å; M94-T153 WeakPolarHBondContact CA-O 3.2Å; R95-T153 PolarHBondContact N-O 2.94Å; R95-T153 PolarHBondContact O-N 2.95Å; R95-T153 PolarHBondContact O-OG1 2.9Å; T153-I155 PolarHBondContact O-N 2.84Å
154N93.6Very high85.9Confident106 Ų10670 Ų7057%0.56737%0.369SS*.EExtended strand (participates in β ladder)trans-68.5128.5171.6-71.2-41.4000109.4M94M94-N154 WeakPolarHBondContact CG-OD1 3.47Å
155I94Very high88.1Confident79 Ų7968.2 Ų68.241%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-96-51.9-179.2-48.7174.4000109.5V82 L93 R95 T153V82-I155 HydrophobicContact CG1-CD1 3.83Å; V82-I155 HydrophobicContact CG2-CD1 4.04Å; L93-I155 HydrophobicContact CB-CB 4.34Å; L93-I155 PolarHBondContact O-N 2.56Å; R95-I155 HydrophobicContact CB-CD1 3.65Å; R95-I155 HydrophobicContact CB-CG1 3.81Å; T153-I155 PolarHBondContact O-N 2.84Å
156A95.1Very high90.2Very high34 Ų3468.6 Ų68.628%0.28137%0.371SS..EExtended strand (participates in β ladder)trans-166.1166.3-170.900000110.7L93 L198L93-A156 PolarHBondContact N-O 3.09Å; L93-A156 PolarHBondContact O-N 3.35Å; A156-L198 HydrophobicContact CB-CD1 3.19Å
157E95.4Very high91.8Very high95 Ų9566.1 Ų66.144%0.44436%0.364SS..EExtended strand (participates in β ladder)trans-136.7134.4174.4-175170.8173.700108.8R71 T90 C91R71-E157 IonicContact CZ-OE1 3.5Å; R71-E157 IonicContact CZ-OE2 3.76Å; R71-E157 VanDerWaalsContact NH1-CD 3.29Å; R71-E157 IonicContact NH1-OE1 3.3Å; R71-E157 PolarHBondContact NH1-OE1 3.17Å; R71-E157 IonicContact NH1-OE2 2.77Å; R71-E157 PolarHBondContact NH1-OE2 3.06Å; R71-E157 VanDerWaalsContact NH1-OE2 3.09Å; R71-E157 IonicContact NH2-OE2 2.62Å; T90-E157 WeakPolarHBondContact CB-OE1 3.28Å; T90-E157 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E157 PolarHBondContact OG1-OE1 2.69Å; C91-E157 WeakPolarHBondContact O-CA 3.42Å
158V96.8Very high93Very high12 Ų1265.8 Ų65.87%0.07336%0.36CS..EExtended strand (participates in β ladder)trans-121.4145.4176.7-60.70000110.9T90 C91 L93 S160 L181 W193 L198T90-V158 WeakPolarHBondContact CA-O 3.16Å; C91-V158 HydrophobicContact CB-CG2 3.66Å; C91-V158 PolarHBondContact N-O 3.43Å; C91-V158 PolarHBondContact O-N 3.31Å; L93-V158 HydrophobicContact CD1-CG2 4.49Å; V158-S160 PolarHBondContact O-N 3.02Å; V158-L181 HydrophobicContact CG2-CD2 4.41Å; V158-W193 HydrophobicContact CB-CD2 4.36Å; V158-W193 HydrophobicContact CB-CE3 4.41Å; V158-W193 HydrophobicContact CB-CH2 4.06Å; V158-W193 HydrophobicContact CB-CZ2 4.04Å; V158-W193 HydrophobicContact CB-CZ3 4.25Å; V158-W193 HydrophobicContact CG1-CD2 4.37Å; V158-W193 HydrophobicContact CG1-CE3 4.2Å; V158-W193 HydrophobicContact CG1-CZ3 4.31Å; V158-W193 HydrophobicContact CG2-CD2 4.37Å; V158-W193 HydrophobicContact CG2-CZ2 4.19Å; V158-L198 HydrophobicContact CG1-CB 4.09Å; V158-L198 HydrophobicContact CG1-CD1 4.17Å; V158-L198 HydrophobicContact CG1-CD2 4.36Å; V158-L198 HydrophobicContact CG1-CG 4.45Å
159L95.9Very high93.7Very high105 Ų10563 Ų6355%0.5534%0.343SS..EExtended strand (participates in β ladder)trans-78.5106.8173.3-65179.7000109.5T90 L162 W193T90-L159 HydrophobicContact CG2-CD2 3.69Å; L159-L162 HydrophobicContact CB-CD2 4.03Å; L159-L162 HydrophobicContact CD1-CD2 4.25Å; L159-W193 VanDerWaalsContact O-CZ2 3.26Å; L159-W193 WeakPolarHBondContact O-CZ2 3.21Å
160S93.3Very high94.2Very high0 Ų060.8 Ų60.80%033%0.332CS..  trans-93.6-25-174.145.80000114.4G89 T90 C91 V158 Q169 R191G89-S160 VanDerWaalsContact C-OG 3.24Å; G89-S160 PolarHBondContact O-N 3.03Å; G89-S160 PolarHBondContact O-OG 3.07Å; T90-S160 VanDerWaalsContact CA-OG 3.31Å; T90-S160 WeakPolarHBondContact CA-OG 3.48Å; T90-S160 PolarHBondContact N-OG 3.27Å; C91-S160 PolarHBondContact N-OG 3.2Å; V158-S160 PolarHBondContact O-N 3.02Å; S160-Q169 WeakPolarHBondContact OG-CB 3.33Å; S160-Q169 PolarHBondContact OG-OE1 3.08Å; S160-R191 PolarHBondContact O-NH1 2.77Å
161D95.3Very high94.5Very high6 Ų660.8 Ų60.83%0.03233%0.332CS..  trans-135130.1179.9-172.5143.1000109G89 N163 P167 L168 G185 T186G89-D161 PolarHBondContact O-N 3.18Å; D161-N163 WeakPolarHBondContact OD2-CB 3.15Å; D161-N163 PolarHBondContact OD2-N 2.98Å; D161-P167 HydrophobicContact CB-CB 4.28Å; D161-L168 VanDerWaalsContact OD1-C 3.32Å; D161-L168 PolarHBondContact OD1-N 2.76Å; D161-G185 WeakPolarHBondContact OD1-CA 3.4Å; D161-T186 WeakPolarHBondContact OD1-CA 3.02Å; D161-T186 WeakPolarHBondContact OD1-CB 3.45Å; D161-T186 PolarHBondContact OD1-N 3.43Å; D161-T186 PolarHBondContact OD1-OG1 3.37Å; D161-T186 PolarHBondContact OD2-OG1 2.99Å
162L95.3Very high94.7Very high89 Ų8958.2 Ų58.247%0.46632%0.317SS..  trans-113.620.9-177.9-58.2-179.6000112.9L159 P164 D187L159-L162 HydrophobicContact CB-CD2 4.03Å; L159-L162 HydrophobicContact CD1-CD2 4.25Å; L162-P164 WeakPolarHBondContact O-CD 3.15Å; L162-D187 PolarHBondContact N-OD2 3.24Å
163N92.8Very high94.8Very high39 Ų3959 Ų5921%0.20932%0.317CS..  trans-61.3122.3174.8-176.8-16.7000109.9D161 H165 D166 P167 T186 D187D161-N163 WeakPolarHBondContact OD2-CB 3.15Å; D161-N163 PolarHBondContact OD2-N 2.98Å; N163-H165 PolarHBondContact O-N 2.89Å; N163-H165 PolarHBondContact OD1-N 3.07Å; N163-D166 PolarHBondContact ND2-O 3.42Å; N163-P167 HydrophobicContact CB-CB 4.36Å; N163-P167 WeakPolarHBondContact O-CB 3.48Å; N163-P167 WeakPolarHBondContact O-CD 3.49Å; N163-T186 WeakPolarHBondContact CB-OG1 3.39Å; N163-T186 PolarHBondContact ND2-OG1 3.47Å; N163-D187 HydrophobicContact CB-CB 4.21Å
164P90.1Very high94.9Very high115 Ų11556.3 Ų56.375%0.74730%0.299SS*.SBendtrans-70.9-15.3-175.428.6-36.2000113.9L162L162-P164 WeakPolarHBondContact O-CD 3.15Å
165H89.9Confident95Very high173 Ų17351.4 Ų51.480%0.80127%0.272SS*.SBendtrans-103.7-50-173.8-64.4-53000113.5N163N163-H165 PolarHBondContact O-N 2.89Å; N163-H165 PolarHBondContact OD1-N 3.07Å
166D90.8Very high94.9Very high116 Ų11650.9 Ų50.962%0.6227%0.274SS*.  trans-148.975.6-175.4-170.625.8000109.7N163 L168 T186N163-D166 PolarHBondContact ND2-O 3.42Å; D166-L168 PolarHBondContact O-N 3.09Å; D166-T186 PolarHBondContact O-OG1 3.09Å
167P94.1Very high94.8Very high52 Ų5252.7 Ų52.734%0.33828%0.279SS..  trans-72.7124.8-176.830.2-33.8000110.7D88 G89 D161 N163D88-P167 CarbonylContact C-O 3.47Å; G89-P167 PolarHBondContact N-O 3.43Å; D161-P167 HydrophobicContact CB-CB 4.28Å; N163-P167 HydrophobicContact CB-CB 4.36Å; N163-P167 WeakPolarHBondContact O-CB 3.48Å; N163-P167 WeakPolarHBondContact O-CD 3.49Å
168L95.6Very high94.7Very high54 Ų5449.3 Ų49.328%0.28326%0.264SS..  trans-146.4113179.4179.367.3000110.6I74 D88 D161 D166 K170 G185 T186I74-L168 HydrophobicContact CG1-CD1 4.25Å; D88-L168 CarbonylContact O-C 3.55Å; D88-L168 WeakPolarHBondContact O-CA 3.26Å; D161-L168 VanDerWaalsContact OD1-C 3.32Å; D161-L168 PolarHBondContact OD1-N 2.76Å; D166-L168 PolarHBondContact O-N 3.09Å; L168-K170 HydrophobicContact CD2-CG 4.36Å; L168-K170 HydrophobicContact CG-CG 4.29Å; L168-K170 PolarHBondContact O-N 3.42Å; L168-G185 VanDerWaalsContact O-CA 3.23Å; L168-G185 WeakPolarHBondContact O-CA 3.43Å; L168-T186 HydrophobicContact CB-CG2 3.77Å; L168-T186 PolarHBondContact O-N 3.44Å
169Q97.4Very high94.7Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-65.2122.9166.6-174178.9-87.400108.9N75 D88 S160 T183N75-Q169 PolarHBondContact ND2-O 2.88Å; N75-Q169 PolarHBondContact OD1-NE2 2.93Å; D88-Q169 PolarHBondContact O-N 2.9Å; S160-Q169 WeakPolarHBondContact OG-CB 3.33Å; S160-Q169 PolarHBondContact OG-OE1 3.08Å; Q169-T183 VanDerWaalsContact OE1-CG2 3.27Å
170K97.4Very high94.7Very high41 Ų4149.3 Ų49.318%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-103-24.8-178.7-71179.666.2-165.10113N75 L168 G184 T186 E210 I211 D212N75-K170 WeakPolarHBondContact ND2-CA 3.46Å; N75-K170 PolarHBondContact ND2-O 2.84Å; L168-K170 HydrophobicContact CD2-CG 4.36Å; L168-K170 HydrophobicContact CG-CG 4.29Å; L168-K170 PolarHBondContact O-N 3.42Å; K170-G184 PolarHBondContact N-O 3.47Å; K170-T186 HydrophobicContact CD-CG2 4.18Å; K170-E210 HydrophobicContact CD-CB 4.33Å; K170-E210 IonicContact NZ-OE2 3.43Å; K170-E210 PolarHBondContact NZ-OE2 3.27Å; K170-I211 VanDerWaalsContact CD-O 3.31Å; K170-I211 WeakPolarHBondContact CD-O 3.35Å; K170-I211 VanDerWaalsContact CE-O 3.3Å; K170-I211 WeakPolarHBondContact CE-O 3.41Å; K170-I211 PolarHBondContact NZ-O 3.32Å; K170-I211 VanDerWaalsContact NZ-O 3.12Å; K170-D212 IonicContact NZ-OD1 3.9Å; K170-D212 PolarHBondContact NZ-OD1 3.17Å
171V97.9Very high95Very high4 Ų449.3 Ų49.32%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-148.1142.9179.962.30000111.9R173 G184 I211 L214V171-R173 HydrophobicContact CG2-CG 4.47Å; V171-G184 PolarHBondContact N-O 3.01Å; V171-G184 PolarHBondContact O-N 3.02Å; V171-I211 HydrophobicContact CG1-CG2 4.07Å; V171-L214 HydrophobicContact CB-CG 4.31Å; V171-L214 HydrophobicContact CG1-CB 4.35Å; V171-L214 HydrophobicContact CG1-CD2 3.5Å; V171-L214 VanDerWaalsContact CG1-CD2 3.5Å; V171-L214 HydrophobicContact CG1-CG 3.59Å; V171-L214 HydrophobicContact CG2-CD1 4.35Å; V171-L214 HydrophobicContact CG2-CD2 4.49Å; V171-L214 HydrophobicContact CG2-CG 3.77Å
172V98.2Very high95.1Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-139.8138.8169.960.80000110.3N75 A77 A84 L181 L182 T183N75-V172 WeakPolarHBondContact OD1-CG1 3.25Å; A77-V172 HydrophobicContact CB-CG1 4.16Å; A77-V172 HydrophobicContact CB-CG2 4.34Å; A84-V172 HydrophobicContact CB-CG2 3.83Å; V172-L181 HydrophobicContact CG2-CD1 3.5Å; V172-L181 VanDerWaalsContact CG2-CD1 3.5Å; V172-L181 HydrophobicContact CG2-CG 4.26Å; V172-L182 VanDerWaalsContact CA-O 3.25Å; V172-L182 WeakPolarHBondContact CA-O 3.47Å; V172-T183 HydrophobicContact CG2-CG2 4.09Å
173R97.5Very high95.2Very high40 Ų4044.9 Ų44.915%0.15124%0.24CC..EExtended strand (participates in β ladder)trans-143.7143.5175-65.4-67.6172.4-114.14.9110.1M76 V171 L182 L214M76-R173 PolarHBondContact O-NH1 3.1Å; V171-R173 HydrophobicContact CG2-CG 4.47Å; R173-L182 PolarHBondContact N-O 2.81Å; R173-L182 PolarHBondContact O-N 2.96Å; R173-L214 HydrophobicContact CB-CD1 3.82Å; R173-L214 HydrophobicContact CG-CD1 3.67Å
174F97.2Very high95.5Very high23 Ų2343 Ų4310%0.10123%0.23CC..EExtended strand (participates in β ladder)trans-80.4153.6161.1-72.3-72000109.4A77 V82 A84 M178 L180 L181 F195A77-F174 HydrophobicContact CB-CD2 3.78Å; A77-F174 HydrophobicContact CB-CE2 4.07Å; V82-F174 HydrophobicContact CG1-CZ 4.09Å; A84-F174 HydrophobicContact CB-CE2 3.97Å; A84-F174 HydrophobicContact CB-CZ 3.8Å; F174-M178 HydrophobicContact CB-CE 4.33Å; F174-M178 HydrophobicContact CB-SD 3.52Å; F174-M178 VanDerWaalsContact CB-SD 3.52Å; F174-M178 HydrophobicContact CD1-CE 3.76Å; F174-M178 HydrophobicContact CD1-SD 4.07Å; F174-M178 HydrophobicContact CD2-CE 4.03Å; F174-M178 HydrophobicContact CD2-SD 4.08Å; F174-M178 HydrophobicContact CE1-CE 4Å; F174-M178 HydrophobicContact CE2-CE 4.27Å; F174-M178 HydrophobicContact CG-CE 3.78Å; F174-M178 HydrophobicContact CG-SD 3.64Å; F174-M178 HydrophobicContact CZ-CE 4.25Å; F174-L180 CarbonylContact C-O 3.32Å; F174-L180 WeakPolarHBondContact CA-O 3.16Å; F174-L181 HydrophobicContact CD1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD1 3.69Å; F174-L181 HydrophobicContact CG-CD1 4.46Å; F174-L181 HydrophobicContact CZ-CD1 4.08Å; F174-F195 AromaticContact CE1-CD2 3.9Å; F174-F195 HydrophobicContact CE1-CD2 3.9Å; F174-F195 AromaticContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CG 4.19Å; F174-F195 HydrophobicContact CE1-CZ 4.3Å; F174-F195 HydrophobicContact CZ-CE2 4.48Å
175S95.3Very high95.8Very high2 Ų237.5 Ų37.51%0.01420%0.195CC..  trans-65.7152.7162.759.40000111.2D177 M178 N179 L180S175-D177 WeakPolarHBondContact CB-OD1 3.36Å; S175-D177 PolarHBondContact O-N 3.31Å; S175-D177 VanDerWaalsContact O-N 3.13Å; S175-D177 PolarHBondContact OG-OD1 2.88Å; S175-M178 PolarHBondContact O-N 2.89Å; S175-M178 PolarHBondContact OG-N 3.44Å; S175-N179 PolarHBondContact OG-N 3.3Å; S175-L180 PolarHBondContact N-O 2.99Å; S175-L180 PolarHBondContact OG-N 3.25Å; S175-L180 PolarHBondContact OG-O 3.43Å
176P91.9Very high96.2Very high68 Ų6830.2 Ų30.244%0.44216%0.162SC..THydrogen-bonded Turntrans-59.5-24.2177.9-29.739.9000114.7M216 T218P176-M216 VanDerWaalsContact CD-CE 3.4Å; P176-T218 HydrophobicContact CB-CG2 3.64Å; P176-T218 HydrophobicContact CG-CG2 3.6Å
177D92.6Very high96.5Very high72 Ų7226.1 Ų26.139%0.38514%0.14SC..THydrogen-bonded Turntrans-92.55175.564.7-14.7000113.5S175 N179S175-D177 WeakPolarHBondContact CB-OD1 3.36Å; S175-D177 PolarHBondContact O-N 3.31Å; S175-D177 VanDerWaalsContact O-N 3.13Å; S175-D177 PolarHBondContact OG-OD1 2.88Å; D177-N179 PolarHBondContact O-N 3.05Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 PolarHBondContact OD1-N 3.36Å; D177-N179 PolarHBondContact OD2-ND2 2.91Å
178M94.5Very high96.6Very high25 Ų2523.6 Ų23.612%0.12312%0.124CC..SBendtrans56.521.3-179-67.6-65.7-60.400114.6G79 D80 F174 S175 F195G79-M178 VanDerWaalsContact C-CE 3.44Å; G79-M178 WeakPolarHBondContact O-CE 3.49Å; D80-M178 HydrophobicContact CB-CE 4.2Å; D80-M178 WeakPolarHBondContact OD2-CG 3.4Å; F174-M178 HydrophobicContact CB-CE 4.33Å; F174-M178 HydrophobicContact CB-SD 3.52Å; F174-M178 VanDerWaalsContact CB-SD 3.52Å; F174-M178 HydrophobicContact CD1-CE 3.76Å; F174-M178 HydrophobicContact CD1-SD 4.07Å; F174-M178 HydrophobicContact CD2-CE 4.03Å; F174-M178 HydrophobicContact CD2-SD 4.08Å; F174-M178 HydrophobicContact CE1-CE 4Å; F174-M178 HydrophobicContact CE2-CE 4.27Å; F174-M178 HydrophobicContact CG-CE 3.78Å; F174-M178 HydrophobicContact CG-SD 3.64Å; F174-M178 HydrophobicContact CZ-CE 4.25Å; S175-M178 PolarHBondContact O-N 2.89Å; S175-M178 PolarHBondContact OG-N 3.44Å; M178-F195 HydrophobicContact CE-CE1 4.17Å; M178-F195 WeakPolarHBondContact O-CD1 3.46Å
179N95.9Very high96.7Very high88 Ų8825.1 Ų25.147%0.47113%0.126SC..SBendtrans-95-14.4179-67.6-37000113.8S175 D177 F195S175-N179 PolarHBondContact OG-N 3.3Å; D177-N179 PolarHBondContact O-N 3.05Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 PolarHBondContact OD1-N 3.36Å; D177-N179 PolarHBondContact OD2-ND2 2.91Å; N179-F195 PolarHBondContact O-N 2.9Å
180L96.7Very high96.8Very high28 Ų2825.1 Ų25.115%0.14713%0.126CC..EExtended strand (participates in β ladder)trans-132.5146.2-178.4-53.7171.5000110.9F174 S175 V192 W193 K201F174-L180 CarbonylContact C-O 3.32Å; F174-L180 WeakPolarHBondContact CA-O 3.16Å; S175-L180 PolarHBondContact N-O 2.99Å; S175-L180 PolarHBondContact OG-N 3.25Å; S175-L180 PolarHBondContact OG-O 3.43Å; L180-V192 HydrophobicContact CB-CG1 4.25Å; L180-V192 HydrophobicContact CD1-CG1 4.16Å; L180-V192 HydrophobicContact CD2-CG1 4Å; L180-V192 HydrophobicContact CG-CG1 4.38Å; L180-W193 CarbonylContact C-O 3.59Å; L180-W193 VanDerWaalsContact CA-O 3.24Å; L180-W193 WeakPolarHBondContact CA-O 3.41Å; L180-K201 HydrophobicContact CD2-CD 3.95Å
181L97.8Very high96.8Very high0 Ų023.4 Ų23.40%012%0.119CC..EExtended strand (participates in β ladder)trans-110.7128.4164.8-17972.4000108.4A84 L93 V158 V172 F174 T183 V192 W193 L198A84-L181 HydrophobicContact CB-CD1 3.64Å; L93-L181 HydrophobicContact CD1-CD2 4.06Å; L93-L181 HydrophobicContact CD2-CD2 4.29Å; V158-L181 HydrophobicContact CG2-CD2 4.41Å; V172-L181 HydrophobicContact CG2-CD1 3.5Å; V172-L181 VanDerWaalsContact CG2-CD1 3.5Å; V172-L181 HydrophobicContact CG2-CG 4.26Å; F174-L181 HydrophobicContact CD1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD1 3.69Å; F174-L181 HydrophobicContact CG-CD1 4.46Å; F174-L181 HydrophobicContact CZ-CD1 4.08Å; L181-T183 HydrophobicContact CD2-CG2 4.42Å; L181-T183 HydrophobicContact CG-CG2 4.33Å; L181-V192 WeakPolarHBondContact O-CA 3.18Å; L181-W193 HydrophobicContact CB-CB 4.19Å; L181-W193 PolarHBondContact N-O 3.16Å; L181-W193 VanDerWaalsContact O-CD1 3.31Å; L181-W193 PolarHBondContact O-N 3.05Å; L181-L198 HydrophobicContact CD2-CD2 4.13Å
182L98Very high96.8Very high2 Ų223.4 Ų23.41%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-111.1126.9179.8-53.8175.7000108.9V172 R173 V192 L214 M216 L223V172-L182 VanDerWaalsContact CA-O 3.25Å; V172-L182 WeakPolarHBondContact CA-O 3.47Å; R173-L182 PolarHBondContact N-O 2.81Å; R173-L182 PolarHBondContact O-N 2.96Å; L182-V192 HydrophobicContact CD2-CB 4.11Å; L182-V192 HydrophobicContact CD2-CG1 3.75Å; L182-V192 HydrophobicContact CD2-CG2 3.62Å; L182-L214 HydrophobicContact CB-CD1 3.82Å; L182-L214 HydrophobicContact CB-CD2 4.44Å; L182-L214 HydrophobicContact CD1-CD1 4.08Å; L182-M216 HydrophobicContact CD1-CB 3.93Å; L182-M216 HydrophobicContact CD1-CG 4.45Å; L182-M216 HydrophobicContact CD1-SD 4.03Å; L182-L223 HydrophobicContact CD1-CD1 3.82Å
183T98.3Very high96.8Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-128.4142.6178.157.80000110.8C91 Q169 V172 L181 R191 W193C91-T183 HydrophobicContact CB-CG2 4.24Å; Q169-T183 VanDerWaalsContact OE1-CG2 3.27Å; V172-T183 HydrophobicContact CG2-CG2 4.09Å; L181-T183 HydrophobicContact CD2-CG2 4.42Å; L181-T183 HydrophobicContact CG-CG2 4.33Å; T183-R191 PolarHBondContact N-O 2.82Å; T183-R191 PolarHBondContact O-N 2.88Å; T183-R191 WeakPolarHBondContact OG1-CB 3.49Å; T183-R191 PolarHBondContact OG1-O 2.95Å; T183-W193 PolarHBondContact OG1-NE1 2.72Å; T183-W193 VanDerWaalsContact OG1-NE1 3.08Å
184G97.8Very high96.7Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-148.4147.2175.100000112.1K170 V171K170-G184 PolarHBondContact N-O 3.47Å; V171-G184 PolarHBondContact N-O 3.01Å; V171-G184 PolarHBondContact O-N 3.02Å
185G97.3Very high96.7Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-146.7-153.8-17200000114.3D161 L168 I211D161-G185 WeakPolarHBondContact OD1-CA 3.4Å; L168-G185 VanDerWaalsContact O-CA 3.23Å; L168-G185 WeakPolarHBondContact O-CA 3.43Å; G185-I211 PolarHBondContact O-N 2.97Å
186T97.6Very high96.7Very high19 Ų1930.9 Ų30.912%0.11716%0.163CC..THydrogen-bonded Turntrans-73-26.2-177.962.40000114.4D161 N163 D166 L168 K170 G188 E210D161-T186 WeakPolarHBondContact OD1-CA 3.02Å; D161-T186 WeakPolarHBondContact OD1-CB 3.45Å; D161-T186 PolarHBondContact OD1-N 3.43Å; D161-T186 PolarHBondContact OD1-OG1 3.37Å; D161-T186 PolarHBondContact OD2-OG1 2.99Å; N163-T186 WeakPolarHBondContact CB-OG1 3.39Å; N163-T186 PolarHBondContact ND2-OG1 3.47Å; D166-T186 PolarHBondContact O-OG1 3.09Å; L168-T186 HydrophobicContact CB-CG2 3.77Å; L168-T186 PolarHBondContact O-N 3.44Å; K170-T186 HydrophobicContact CD-CG2 4.18Å; T186-G188 PolarHBondContact O-N 2.92Å; T186-E210 HydrophobicContact CG2-CG 4.18Å
187D97.1Very high96.8Very high30 Ų3030.8 Ų30.816%0.1616%0.164CC..THydrogen-bonded Turntrans-72.6-11.2179.865.92.9000114.4L162 N163 Y189 R191L162-D187 PolarHBondContact N-OD2 3.24Å; N163-D187 HydrophobicContact CB-CB 4.21Å; D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 HydrophobicContact CB-CD2 4.36Å; D187-Y189 WeakPolarHBondContact O-CD2 3.32Å; D187-Y189 PolarHBondContact OD1-N 2.78Å; D187-R191 IonicContact OD1-NH1 2.76Å; D187-R191 IonicContact OD2-CZ 3.08Å; D187-R191 IonicContact OD2-NH1 3.23Å; D187-R191 PolarHBondContact OD2-NH1 2.94Å; D187-R191 IonicContact OD2-NH2 3.56Å; D187-R191 PolarHBondContact OD2-NH2 3.01Å
188G97.3Very high97Very high0 Ų028.6 Ų28.60%015%0.152CC..  trans815179.900000114.5T186 A206 H207 K209T186-G188 PolarHBondContact O-N 2.92Å; G188-A206 PolarHBondContact O-N 2.78Å; G188-H207 PolarHBondContact O-N 2.83Å; G188-H207 VanDerWaalsContact O-N 3.1Å; G188-K209 VanDerWaalsContact CA-O 3.3Å; G188-K209 WeakPolarHBondContact CA-O 3.36Å
189Y98.1Very high97.1Very high85 Ų8533.6 Ų33.633%0.33318%0.175SC..EExtended strand (participates in β ladder)trans-93.9141.8178.9-77-110.1000111.3D187 D203 F204 K205 I211D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 HydrophobicContact CB-CD2 4.36Å; D187-Y189 WeakPolarHBondContact O-CD2 3.32Å; D187-Y189 PolarHBondContact OD1-N 2.78Å; Y189-D203 WeakPolarHBondContact CD1-OD1 3.42Å; Y189-F204 WeakPolarHBondContact CA-O 3.47Å; Y189-F204 VanDerWaalsContact CD1-C 3.4Å; Y189-K205 HydrophobicContact CD1-CB 4.24Å; Y189-K205 HydrophobicContact CD2-CB 4.41Å; Y189-K205 HydrophobicContact CD2-CG 4.24Å; Y189-K205 HydrophobicContact CE1-CB 3.82Å; Y189-K205 HydrophobicContact CE2-CB 4Å; Y189-K205 HydrophobicContact CE2-CD 4.16Å; Y189-K205 HydrophobicContact CE2-CG 3.82Å; Y189-I211 WeakPolarHBondContact O-CD1 3.34Å
190I97.9Very high97.1Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-96.4130.5164.8-63.6168.4000107.3V192 F204 A206 I211 L223 T225I190-V192 HydrophobicContact CG2-CG2 3.98Å; I190-F204 HydrophobicContact CB-CE1 4.11Å; I190-F204 HydrophobicContact CB-CE2 4.31Å; I190-F204 HydrophobicContact CB-CZ 3.95Å; I190-F204 HydrophobicContact CD1-CE2 3.9Å; I190-F204 HydrophobicContact CD1-CZ 3.83Å; I190-F204 HydrophobicContact CG1-CZ 4.49Å; I190-F204 HydrophobicContact CG2-CE1 4.13Å; I190-F204 HydrophobicContact CG2-CZ 4.13Å; I190-F204 PolarHBondContact N-O 3.44Å; I190-F204 PolarHBondContact O-N 3.26Å; I190-F204 VanDerWaalsContact O-N 3.16Å; I190-A206 HydrophobicContact CB-CB 4.44Å; I190-A206 HydrophobicContact CD1-CB 3.25Å; I190-A206 HydrophobicContact CG1-CB 3.53Å; I190-I211 HydrophobicContact CG1-CD1 3.61Å; I190-L223 HydrophobicContact CD1-CD2 3.96Å; I190-L223 HydrophobicContact CG2-CD2 4.01Å; I190-T225 HydrophobicContact CD1-CG2 3.19Å; I190-T225 HydrophobicContact CG1-CG2 4.1Å
191R97.8Very high97.1Very high5 Ų536.9 Ų36.92%0.01918%0.184CC..EExtended strand (participates in β ladder)trans-115.5128.8170.8-61.3177.5178.988.67.8109.2S160 T183 D187 W193 F202 D203S160-R191 PolarHBondContact O-NH1 2.77Å; T183-R191 PolarHBondContact N-O 2.82Å; T183-R191 PolarHBondContact O-N 2.88Å; T183-R191 WeakPolarHBondContact OG1-CB 3.49Å; T183-R191 PolarHBondContact OG1-O 2.95Å; D187-R191 IonicContact OD1-NH1 2.76Å; D187-R191 IonicContact OD2-CZ 3.08Å; D187-R191 IonicContact OD2-NH1 3.23Å; D187-R191 PolarHBondContact OD2-NH1 2.94Å; D187-R191 IonicContact OD2-NH2 3.56Å; D187-R191 PolarHBondContact OD2-NH2 3.01Å; R191-W193 HydrophobicContact CB-CZ2 3.85Å; R191-W193 HydrophobicContact CG-CZ2 4.47Å; R191-F202 WeakPolarHBondContact CA-O 3.34Å; R191-D203 IonicContact CZ-OD1 2.77Å; R191-D203 IonicContact NE-OD1 3.21Å; R191-D203 PolarHBondContact NE-OD1 2.69Å; R191-D203 IonicContact NE-OD2 3.89Å; R191-D203 PolarHBondContact NE-OD2 2.95Å; R191-D203 IonicContact NH2-OD1 3.46Å
192V97.8Very high97.1Very high5 Ų538.9 Ų38.93%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-114.6122.6179.8-176.50000107.3L180 L181 L182 I190 K201 F202L180-V192 HydrophobicContact CB-CG1 4.25Å; L180-V192 HydrophobicContact CD1-CG1 4.16Å; L180-V192 HydrophobicContact CD2-CG1 4Å; L180-V192 HydrophobicContact CG-CG1 4.38Å; L181-V192 WeakPolarHBondContact O-CA 3.18Å; L182-V192 HydrophobicContact CD2-CB 4.11Å; L182-V192 HydrophobicContact CD2-CG1 3.75Å; L182-V192 HydrophobicContact CD2-CG2 3.62Å; I190-V192 HydrophobicContact CG2-CG2 3.98Å; V192-K201 HydrophobicContact CG1-CB 4.31Å; V192-K201 PolarHBondContact O-N 3.11Å; V192-F202 HydrophobicContact CB-CB 3.97Å; V192-F202 HydrophobicContact CB-CD2 3.99Å; V192-F202 HydrophobicContact CB-CG 4.45Å; V192-F202 HydrophobicContact CG1-CD2 4.22Å; V192-F202 HydrophobicContact CG2-CB 4.02Å; V192-F202 HydrophobicContact CG2-CD2 4.07Å; V192-F202 PolarHBondContact N-O 2.87Å; V192-F202 PolarHBondContact O-N 3.3Å; V192-F202 VanDerWaalsContact O-N 3.15Å
193W97.8Very high97.1Very high18 Ų1841.9 Ų41.97%0.06821%0.209CC..EExtended strand (participates in β ladder)trans-113.4135.8-179.5-42.185.6000108.5V158 L159 L180 L181 T183 R191 L198 E199 K200V158-W193 HydrophobicContact CB-CD2 4.36Å; V158-W193 HydrophobicContact CB-CE3 4.41Å; V158-W193 HydrophobicContact CB-CH2 4.06Å; V158-W193 HydrophobicContact CB-CZ2 4.04Å; V158-W193 HydrophobicContact CB-CZ3 4.25Å; V158-W193 HydrophobicContact CG1-CD2 4.37Å; V158-W193 HydrophobicContact CG1-CE3 4.2Å; V158-W193 HydrophobicContact CG1-CZ3 4.31Å; V158-W193 HydrophobicContact CG2-CD2 4.37Å; V158-W193 HydrophobicContact CG2-CZ2 4.19Å; L159-W193 VanDerWaalsContact O-CZ2 3.26Å; L159-W193 WeakPolarHBondContact O-CZ2 3.21Å; L180-W193 CarbonylContact C-O 3.59Å; L180-W193 VanDerWaalsContact CA-O 3.24Å; L180-W193 WeakPolarHBondContact CA-O 3.41Å; L181-W193 HydrophobicContact CB-CB 4.19Å; L181-W193 PolarHBondContact N-O 3.16Å; L181-W193 VanDerWaalsContact O-CD1 3.31Å; L181-W193 PolarHBondContact O-N 3.05Å; T183-W193 PolarHBondContact OG1-NE1 2.72Å; T183-W193 VanDerWaalsContact OG1-NE1 3.08Å; R191-W193 HydrophobicContact CB-CZ2 3.85Å; R191-W193 HydrophobicContact CG-CZ2 4.47Å; W193-L198 HydrophobicContact CB-CD2 4.35Å; W193-E199 CarbonylContact C-O 3.32Å; W193-E199 WeakPolarHBondContact CA-O 3.28Å; W193-K200 HydrophobicContact CE3-CB 3.79Å; W193-K200 HydrophobicContact CE3-CG 4.03Å; W193-K200 HydrophobicContact CH2-CD 4.37Å; W193-K200 VanDerWaalsContact CH2-CE 3.42Å; W193-K200 HydrophobicContact CH2-CG 4.34Å; W193-K200 HydrophobicContact CZ3-CB 3.72Å; W193-K200 HydrophobicContact CZ3-CD 4.34Å; W193-K200 HydrophobicContact CZ3-CG 3.93Å
194E97.1Very high97.1Very high78 Ų7843 Ų4336%0.36421%0.214SC..EExtended strand (participates in β ladder)trans-65.8139.4166.6-60-164.516300109.1S197 L198 E199 K201E194-S197 WeakPolarHBondContact CB-OG 3.49Å; E194-L198 WeakPolarHBondContact O-CA 3.37Å; E194-L198 PolarHBondContact O-N 2.71Å; E194-E199 PolarHBondContact N-O 3.32Å; E194-K201 HydrophobicContact CG-CB 4.02Å; E194-K201 HydrophobicContact CG-CD 4.3Å; E194-K201 HydrophobicContact CG-CG 4.48Å
195F96.1Very high97Very high27 Ų2747.2 Ų47.212%0.11823%0.232CC..THydrogen-bonded Turntrans-120.8132.9178.2-176.2-91000109V82 L93 F174 M178 N179 L198V82-F195 HydrophobicContact CB-CZ 4.2Å; V82-F195 HydrophobicContact CG1-CE2 4.16Å; V82-F195 HydrophobicContact CG1-CZ 3.97Å; V82-F195 HydrophobicContact CG2-CZ 4.06Å; L93-F195 HydrophobicContact CD2-CD2 3.95Å; L93-F195 HydrophobicContact CD2-CE2 3.57Å; F174-F195 AromaticContact CE1-CD2 3.9Å; F174-F195 HydrophobicContact CE1-CD2 3.9Å; F174-F195 AromaticContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CG 4.19Å; F174-F195 HydrophobicContact CE1-CZ 4.3Å; F174-F195 HydrophobicContact CZ-CE2 4.48Å; M178-F195 HydrophobicContact CE-CE1 4.17Å; M178-F195 WeakPolarHBondContact O-CD1 3.46Å; N179-F195 PolarHBondContact O-N 2.9Å; F195-L198 HydrophobicContact CD2-CD2 4.21Å
196P95Very high97Very high99 Ų9947.5 Ų47.564%0.64324%0.235SC*.THydrogen-bonded Turncis-93.31.711.336.8-36.9000116.2L198P196-L198 VanDerWaalsContact C-N 3.26Å; P196-L198 PolarHBondContact O-N 2.96Å
197S95.6Very high97.1Very high66 Ų6646.7 Ų46.746%0.46223%0.23SC..THydrogen-bonded Turntrans-65.9-26.9-175.457.30000113.8E194 E199E194-S197 WeakPolarHBondContact CB-OG 3.49Å; S197-E199 PolarHBondContact O-N 2.77Å
198L95.8Very high97.1Very high26 Ų2651.9 Ų51.914%0.13625%0.253CS..  trans59.425.6-173.7-59.3171.1000113.5L93 A156 V158 L181 W193 E194 F195 P196L93-L198 HydrophobicContact CD1-CD1 3.92Å; L93-L198 HydrophobicContact CD1-CD2 4.11Å; L93-L198 HydrophobicContact CD2-CD1 4.24Å; L93-L198 HydrophobicContact CD2-CD2 3.93Å; A156-L198 HydrophobicContact CB-CD1 3.19Å; V158-L198 HydrophobicContact CG1-CB 4.09Å; V158-L198 HydrophobicContact CG1-CD1 4.17Å; V158-L198 HydrophobicContact CG1-CD2 4.36Å; V158-L198 HydrophobicContact CG1-CG 4.45Å; L181-L198 HydrophobicContact CD2-CD2 4.13Å; W193-L198 HydrophobicContact CB-CD2 4.35Å; E194-L198 WeakPolarHBondContact O-CA 3.37Å; E194-L198 PolarHBondContact O-N 2.71Å; F195-L198 HydrophobicContact CD2-CD2 4.21Å; P196-L198 VanDerWaalsContact C-N 3.26Å; P196-L198 PolarHBondContact O-N 2.96Å
199E96.5Very high97Very high129 Ų12957 Ų5760%0.60328%0.275SS*.  trans-70.2132.2169.4-69.5-174.8-168.900109.7W193 E194 S197 K201W193-E199 CarbonylContact C-O 3.32Å; W193-E199 WeakPolarHBondContact CA-O 3.28Å; E194-E199 PolarHBondContact N-O 3.32Å; S197-E199 PolarHBondContact O-N 2.77Å; E199-K201 PolarHBondContact O-N 3.35Å; E199-K201 VanDerWaalsContact O-N 3.11Å
200K96.9Very high97Very high100 Ų10055.3 Ų55.344%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-72.8108.5-178.9-165.2-173.6-60-176.60109.5W193 D203W193-K200 HydrophobicContact CE3-CB 3.79Å; W193-K200 HydrophobicContact CE3-CG 4.03Å; W193-K200 HydrophobicContact CH2-CD 4.37Å; W193-K200 VanDerWaalsContact CH2-CE 3.42Å; W193-K200 HydrophobicContact CH2-CG 4.34Å; W193-K200 HydrophobicContact CZ3-CB 3.72Å; W193-K200 HydrophobicContact CZ3-CD 4.34Å; W193-K200 HydrophobicContact CZ3-CG 3.93Å; K200-D203 HydrophobicContact CD-CB 3.78Å; K200-D203 IonicContact NZ-OD2 2.79Å; K200-D203 PolarHBondContact NZ-OD2 3.15Å
201K96.8Very high97Very high85 Ų8555.3 Ų55.337%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-79.2-46.3177.5-169.2177-178.6-178.70111.9L180 V192 E194 E199L180-K201 HydrophobicContact CD2-CD 3.95Å; V192-K201 HydrophobicContact CG1-CB 4.31Å; V192-K201 PolarHBondContact O-N 3.11Å; E194-K201 HydrophobicContact CG-CB 4.02Å; E194-K201 HydrophobicContact CG-CD 4.3Å; E194-K201 HydrophobicContact CG-CG 4.48Å; E199-K201 PolarHBondContact O-N 3.35Å; E199-K201 VanDerWaalsContact O-N 3.11Å
202F97.1Very high96.9Very high42 Ų4256.4 Ų56.418%0.18428%0.277CS..EExtended strand (participates in β ladder)trans-138.5146.2180-57.5-58.4000112.2R191 V192 F204 D237 N238R191-F202 WeakPolarHBondContact CA-O 3.34Å; V192-F202 HydrophobicContact CB-CB 3.97Å; V192-F202 HydrophobicContact CB-CD2 3.99Å; V192-F202 HydrophobicContact CB-CG 4.45Å; V192-F202 HydrophobicContact CG1-CD2 4.22Å; V192-F202 HydrophobicContact CG2-CB 4.02Å; V192-F202 HydrophobicContact CG2-CD2 4.07Å; V192-F202 PolarHBondContact N-O 2.87Å; V192-F202 PolarHBondContact O-N 3.3Å; V192-F202 VanDerWaalsContact O-N 3.15Å; F202-F204 HydrophobicContact CB-CD1 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.14Å; F202-D237 HydrophobicContact CE2-CB 3.69Å; F202-D237 HydrophobicContact CZ-CB 3.68Å; F202-N238 HydrophobicContact CD1-CB 3.91Å; F202-N238 HydrophobicContact CE1-CB 4.25Å; F202-N238 HydrophobicContact CG-CB 4.17Å
203D97.3Very high96.9Very high65 Ų6556.7 Ų56.735%0.34828%0.278SS..EExtended strand (participates in β ladder)trans-142.5102.4171.6-156.9-29.8000107.3Y189 R191 K200Y189-D203 WeakPolarHBondContact CD1-OD1 3.42Å; R191-D203 IonicContact CZ-OD1 2.77Å; R191-D203 IonicContact NE-OD1 3.21Å; R191-D203 PolarHBondContact NE-OD1 2.69Å; R191-D203 IonicContact NE-OD2 3.89Å; R191-D203 PolarHBondContact NE-OD2 2.95Å; R191-D203 IonicContact NH2-OD1 3.46Å; K200-D203 HydrophobicContact CD-CB 3.78Å; K200-D203 IonicContact NZ-OD2 2.79Å; K200-D203 PolarHBondContact NZ-OD2 3.15Å
204F97.9Very high97Very high24 Ų2455.8 Ų55.811%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-144.1149-176.366.3-85.4000112.1Y189 I190 F202 A206 W235 N238Y189-F204 WeakPolarHBondContact CA-O 3.47Å; Y189-F204 VanDerWaalsContact CD1-C 3.4Å; I190-F204 HydrophobicContact CB-CE1 4.11Å; I190-F204 HydrophobicContact CB-CE2 4.31Å; I190-F204 HydrophobicContact CB-CZ 3.95Å; I190-F204 HydrophobicContact CD1-CE2 3.9Å; I190-F204 HydrophobicContact CD1-CZ 3.83Å; I190-F204 HydrophobicContact CG1-CZ 4.49Å; I190-F204 HydrophobicContact CG2-CE1 4.13Å; I190-F204 HydrophobicContact CG2-CZ 4.13Å; I190-F204 PolarHBondContact N-O 3.44Å; I190-F204 PolarHBondContact O-N 3.26Å; I190-F204 VanDerWaalsContact O-N 3.16Å; F202-F204 HydrophobicContact CB-CD1 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.14Å; F204-A206 HydrophobicContact CD2-CB 4.42Å; F204-A206 HydrophobicContact CE2-CB 4.12Å; F204-A206 PolarHBondContact O-N 2.81Å; F204-W235 HydrophobicContact CD2-CE3 4.27Å; F204-W235 HydrophobicContact CD2-CH2 4.34Å; F204-W235 HydrophobicContact CD2-CZ3 4.05Å; F204-W235 AromaticContact CE2-CD2 3.71Å; F204-W235 HydrophobicContact CE2-CD2 3.71Å; F204-W235 AromaticContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CG 4.36Å; F204-W235 HydrophobicContact CE2-CH2 4.08Å; F204-W235 HydrophobicContact CE2-CZ2 4.21Å; F204-W235 AromaticContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CZ-CD2 4.25Å; F204-W235 HydrophobicContact CZ-CE3 4.26Å; F204-W235 HydrophobicContact CZ-CG 4.46Å; F204-N238 HydrophobicContact CD1-CB 3.81Å; F204-N238 HydrophobicContact CE1-CB 4.02Å; F204-N238 HydrophobicContact CG-CB 4.24Å
205K97.5Very high97Very high88 Ų8853.4 Ų53.438%0.38326%0.264SS..EExtended strand (participates in β ladder)trans-76.8112178.2-164179.5-175.3-162.60109Y189 H207 E208Y189-K205 HydrophobicContact CD1-CB 4.24Å; Y189-K205 HydrophobicContact CD2-CB 4.41Å; Y189-K205 HydrophobicContact CD2-CG 4.24Å; Y189-K205 HydrophobicContact CE1-CB 3.82Å; Y189-K205 HydrophobicContact CE2-CB 4Å; Y189-K205 HydrophobicContact CE2-CD 4.16Å; Y189-K205 HydrophobicContact CE2-CG 3.82Å; K205-H207 WeakPolarHBondContact CE-O 3.35Å; K205-E208 WeakPolarHBondContact CE-OE1 3.49Å; K205-E208 IonicContact NZ-OE1 3.78Å; K205-E208 PolarHBondContact NZ-OE1 3.29Å; K205-E208 IonicContact NZ-OE2 2.78Å; K205-E208 PolarHBondContact NZ-OE2 3.25Å
206A97.4Very high96.9Very high7 Ų753 Ų536%0.05826%0.263CS..  trans-97.3-27.4-179.400000112.7G188 I190 F204 I211 N233 W235G188-A206 PolarHBondContact O-N 2.78Å; I190-A206 HydrophobicContact CB-CB 4.44Å; I190-A206 HydrophobicContact CD1-CB 3.25Å; I190-A206 HydrophobicContact CG1-CB 3.53Å; F204-A206 HydrophobicContact CD2-CB 4.42Å; F204-A206 HydrophobicContact CE2-CB 4.12Å; F204-A206 PolarHBondContact O-N 2.81Å; A206-I211 HydrophobicContact CB-CD1 4.47Å; A206-N233 PolarHBondContact O-ND2 3.2Å; A206-W235 HydrophobicContact CB-CH2 4.36Å; A206-W235 HydrophobicContact CB-CZ2 3.66Å
207H97.8Very high96.8Very high2 Ų248.3 Ų48.31%0.00923%0.233CC..  trans-140.1151.2-176.9-69.8-81000111.1G188 K205 K209 I211 T225 G227 D229 V231G188-H207 PolarHBondContact O-N 2.83Å; G188-H207 VanDerWaalsContact O-N 3.1Å; K205-H207 WeakPolarHBondContact CE-O 3.35Å; H207-K209 VanDerWaalsContact CB-O 3.25Å; H207-K209 WeakPolarHBondContact CB-O 3.42Å; H207-K209 PolarHBondContact O-N 2.97Å; H207-I211 HydrophobicContact CB-CG1 4.47Å; H207-T225 WeakPolarHBondContact NE2-CB 2.78Å; H207-T225 PolarHBondContact NE2-OG1 3.48Å; H207-G227 PolarHBondContact CE1-N 3.22Å; H207-D229 VanDerWaalsContact CA-OD2 3.23Å; H207-D229 WeakPolarHBondContact CA-OD2 3.1Å; H207-D229 VanDerWaalsContact CB-OD2 3.29Å; H207-D229 WeakPolarHBondContact CB-OD2 3.2Å; H207-D229 IonicContact CE1-OD1 3.85Å; H207-D229 IonicContact CG-OD1 3.84Å; H207-D229 IonicContact CG-OD2 3.58Å; H207-D229 IonicContact ND1-OD1 2.93Å; H207-D229 PolarHBondContact ND1-OD1 2.86Å; H207-D229 IonicContact ND1-OD2 3.12Å; H207-D229 PolarHBondContact ND1-OD2 3.48Å; H207-D229 VanDerWaalsContact ND1-OD2 3.12Å; H207-V231 PolarHBondContact CE1-O 2.87Å
208E97.2Very high96.2Very high138 Ų13848.9 Ų48.965%0.64523%0.233SC*.SBendtrans-78-10.2174.8-72.7-59.1133.500112.8K205 D229K205-E208 WeakPolarHBondContact CE-OE1 3.49Å; K205-E208 IonicContact NZ-OE1 3.78Å; K205-E208 PolarHBondContact NZ-OE1 3.29Å; K205-E208 IonicContact NZ-OE2 2.78Å; K205-E208 PolarHBondContact NZ-OE2 3.25Å; E208-D229 HydrophobicContact CB-CB 4.24Å; E208-D229 PolarHBondContact N-OD2 2.92Å
209K96.5Very high95.6Very high107 Ų10751.3 Ų51.347%0.46525%0.246SC..SBendtrans-137.6-178.8177.9-64-173.3178.5-179.80109.7G188 H207 I211 R228 D229G188-K209 VanDerWaalsContact CA-O 3.3Å; G188-K209 WeakPolarHBondContact CA-O 3.36Å; H207-K209 VanDerWaalsContact CB-O 3.25Å; H207-K209 WeakPolarHBondContact CB-O 3.42Å; H207-K209 PolarHBondContact O-N 2.97Å; K209-I211 PolarHBondContact O-N 3.27Å; K209-R228 HydrophobicContact CB-CB 3.86Å; K209-R228 HydrophobicContact CD-CB 4.17Å; K209-R228 WeakPolarHBondContact CD-O 3.3Å; K209-D229 HydrophobicContact CB-CB 4.28Å; K209-D229 HydrophobicContact CG-CB 4.29Å
210E96.8Very high94.7Very high51 Ų5147.1 Ų47.124%0.23823%0.23CC..  trans-47.5137.9177-46170.9-143.800112.8K170 T186 G227 R228K170-E210 HydrophobicContact CD-CB 4.33Å; K170-E210 IonicContact NZ-OE2 3.43Å; K170-E210 PolarHBondContact NZ-OE2 3.27Å; T186-E210 HydrophobicContact CG2-CG 4.18Å; E210-G227 VanDerWaalsContact O-CA 3.32Å; E210-G227 WeakPolarHBondContact O-CA 3.38Å; E210-R228 HydrophobicContact CB-CG 4.29Å; E210-R228 PolarHBondContact O-N 3.04Å; E210-R228 IonicContact OE1-CZ 3.34Å; E210-R228 IonicContact OE1-NE 2.76Å; E210-R228 IonicContact OE1-NH1 3.21Å; E210-R228 PolarHBondContact OE1-NH1 2.66Å; E210-R228 IonicContact OE2-CZ 3.38Å; E210-R228 IonicContact OE2-NE 2.88Å; E210-R228 PolarHBondContact OE2-NE 3.13Å; E210-R228 IonicContact OE2-NH1 3.08Å; E210-R228 PolarHBondContact OE2-NH1 2.63Å; E210-R228 IonicContact OE2-NH2 3.33Å
211I98.1Very high94.1Very high0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-76.3130.7167.6-56-176.8000107.5K170 V171 G185 Y189 I190 A206 H207 K209K170-I211 VanDerWaalsContact CD-O 3.31Å; K170-I211 WeakPolarHBondContact CD-O 3.35Å; K170-I211 VanDerWaalsContact CE-O 3.3Å; K170-I211 WeakPolarHBondContact CE-O 3.41Å; K170-I211 PolarHBondContact NZ-O 3.32Å; K170-I211 VanDerWaalsContact NZ-O 3.12Å; V171-I211 HydrophobicContact CG1-CG2 4.07Å; G185-I211 PolarHBondContact O-N 2.97Å; Y189-I211 WeakPolarHBondContact O-CD1 3.34Å; I190-I211 HydrophobicContact CG1-CD1 3.61Å; A206-I211 HydrophobicContact CB-CD1 4.47Å; H207-I211 HydrophobicContact CB-CG1 4.47Å; K209-I211 PolarHBondContact O-N 3.27Å
212D97.1Very high93.9Very high27 Ų2746.6 Ų46.614%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-95.1-37.9174.9-78.7-50.6000111.5K170 V226 R228 R259K170-D212 IonicContact NZ-OD1 3.9Å; K170-D212 PolarHBondContact NZ-OD1 3.17Å; D212-V226 HydrophobicContact CB-CG2 4.43Å; D212-V226 PolarHBondContact N-O 2.63Å; D212-R228 IonicContact OD1-NE 3.01Å; D212-R228 WeakPolarHBondContact OD2-CG 3.43Å; D212-R259 IonicContact OD2-CZ 3.24Å; D212-R259 IonicContact OD2-NH1 3.52Å; D212-R259 PolarHBondContact OD2-NH1 3.36Å; D212-R259 IonicContact OD2-NH2 3.83Å
213D98.1Very high93.8Very high11 Ų1145 Ų456%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-157.3157.9-178.5-158.610.3000111.6V226 A262 C263 R264D213-V226 HydrophobicContact CB-CG2 3.5Å; D213-V226 PolarHBondContact N-O 3.44Å; D213-V226 WeakPolarHBondContact O-CG2 3.33Å; D213-V226 PolarHBondContact O-N 3.45Å; D213-A262 VanDerWaalsContact OD2-CA 3.31Å; D213-A262 WeakPolarHBondContact OD2-CA 3.48Å; D213-A262 WeakPolarHBondContact OD2-CB 3.48Å; D213-C263 PolarHBondContact OD2-N 2.99Å; D213-C263 VanDerWaalsContact OD2-N 3.13Å; D213-R264 IonicContact OD1-CZ 3.62Å; D213-R264 IonicContact OD1-NH1 2.69Å; D213-R264 PolarHBondContact OD1-NH1 3.43Å; D213-R264 IonicContact OD1-NH2 3.82Å; D213-R264 PolarHBondContact OD1-NH2 3.41Å; D213-R264 IonicContact OD2-CZ 3.83Å; D213-R264 IonicContact OD2-NH1 2.76Å; D213-R264 PolarHBondContact OD2-NH1 3.07Å; D213-R264 IonicContact OD2-NH2 3.09Å; D213-R264 PolarHBondContact OD2-NH2 2.96Å
214L97.9Very high93.8Very high0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-147.8155.117265.682.9000110.8V171 R173 L182 L223 V224 T225 R264V171-L214 HydrophobicContact CB-CG 4.31Å; V171-L214 HydrophobicContact CG1-CB 4.35Å; V171-L214 HydrophobicContact CG1-CD2 3.5Å; V171-L214 VanDerWaalsContact CG1-CD2 3.5Å; V171-L214 HydrophobicContact CG1-CG 3.59Å; V171-L214 HydrophobicContact CG2-CD1 4.35Å; V171-L214 HydrophobicContact CG2-CD2 4.49Å; V171-L214 HydrophobicContact CG2-CG 3.77Å; R173-L214 HydrophobicContact CB-CD1 3.82Å; R173-L214 HydrophobicContact CG-CD1 3.67Å; L182-L214 HydrophobicContact CB-CD1 3.82Å; L182-L214 HydrophobicContact CB-CD2 4.44Å; L182-L214 HydrophobicContact CD1-CD1 4.08Å; L214-L223 HydrophobicContact CB-CD1 4.14Å; L214-L223 HydrophobicContact CD1-CD1 4.2Å; L214-V224 CarbonylContact C-O 3.54Å; L214-V224 WeakPolarHBondContact CA-O 3.31Å; L214-T225 HydrophobicContact CB-CG2 3.72Å; L214-R264 PolarHBondContact O-NH1 3.21Å
215D97.3Very high93.9Very high27 Ų2740.8 Ų40.814%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-154.1153.3171.3-159.617.7000112L223 V224 R264 F265D215-L223 WeakPolarHBondContact O-CD1 3.41Å; D215-V224 PolarHBondContact N-O 3.33Å; D215-V224 PolarHBondContact O-N 2.86Å; D215-R264 VanDerWaalsContact OD2-CA 3.26Å; D215-R264 WeakPolarHBondContact OD2-CA 3.37Å; D215-F265 HydrophobicContact CB-CD2 4.32Å; D215-F265 PolarHBondContact OD2-N 2.79Å
216M95.3Very high93.9Very high19 Ų1936.6 Ų36.69%0.09418%0.182CC..EExtended strand (participates in β ladder)trans-118.7134.1-178.6-158.5172.182.600111.9P176 L182 Q222P176-M216 VanDerWaalsContact CD-CE 3.4Å; L182-M216 HydrophobicContact CD1-CB 3.93Å; L182-M216 HydrophobicContact CD1-CG 4.45Å; L182-M216 HydrophobicContact CD1-SD 4.03Å; M216-Q222 WeakPolarHBondContact CA-O 3.08Å; M216-Q222 WeakPolarHBondContact CG-O 3.26Å
217S92.2Very high93.8Very high1 Ų136.2 Ų36.21%0.00718%0.18CC..  trans-70.2136.8179176.50000111.8I219 S220 Q222 I275S217-I219 VanDerWaalsContact C-N 3.35Å; S217-S220 WeakPolarHBondContact CB-OG 3.14Å; S217-S220 PolarHBondContact OG-N 3.48Å; S217-S220 VanDerWaalsContact OG-N 3.13Å; S217-S220 PolarHBondContact OG-OG 2.59Å; S217-Q222 PolarHBondContact N-O 3.4Å; S217-I275 WeakPolarHBondContact OG-CD1 3.37Å
218T84Confident93.7Very high77 Ų7740.8 Ų40.847%0.47220%0.197SC..THydrogen-bonded Turntrans-69.6-28177.752.10000113.5P176P176-T218 HydrophobicContact CB-CG2 3.64Å; P176-T218 HydrophobicContact CG-CG2 3.6Å
219I81.5Confident93.6Very high78 Ų7835.4 Ų35.440%0.417%0.172SC..THydrogen-bonded Turntrans-112.9-47.5-175-42.8179.1000111.4S217 K221 D273 I275S217-I219 VanDerWaalsContact C-N 3.35Å; I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 3.46Å; I219-D273 HydrophobicContact CD1-CB 4.14Å; I219-I275 HydrophobicContact CB-CD1 3.39Å; I219-I275 HydrophobicContact CB-CG1 4.36Å; I219-I275 HydrophobicContact CD1-CD1 3.69Å; I219-I275 HydrophobicContact CD1-CG1 3.68Å; I219-I275 HydrophobicContact CG1-CD1 3.56Å; I219-I275 HydrophobicContact CG1-CG1 4.01Å; I219-I275 HydrophobicContact CG2-CD1 4.47Å
220S78.1Confident93.6Very high40 Ų4032.4 Ų32.428%0.2816%0.159SC..THydrogen-bonded Turntrans-78.5-10.7-176.162.50000113.5S217 Q222S217-S220 WeakPolarHBondContact CB-OG 3.14Å; S217-S220 PolarHBondContact OG-N 3.48Å; S217-S220 VanDerWaalsContact OG-N 3.13Å; S217-S220 PolarHBondContact OG-OG 2.59Å; S220-Q222 PolarHBondContact O-N 3.24Å; S220-Q222 PolarHBondContact OG-OE1 2.86Å
221K83.8Confident93.5Very high146 Ų14632.3 Ų32.364%0.63516%0.162SC*.  trans52.919.7-172.3-61.5-171.7174.4-169.70114I219I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 3.46Å
222Q92.2Very high93.5Very high29 Ų2932.3 Ų32.314%0.13616%0.162CC..  trans-82.1142.6174.7-70.4173.2-16.500110.3M216 S217 S220 V234 W235M216-Q222 WeakPolarHBondContact CA-O 3.08Å; M216-Q222 WeakPolarHBondContact CG-O 3.26Å; S217-Q222 PolarHBondContact N-O 3.4Å; S220-Q222 PolarHBondContact O-N 3.24Å; S220-Q222 PolarHBondContact OG-OE1 2.86Å; Q222-V234 HydrophobicContact CB-CG1 4.04Å; Q222-V234 HydrophobicContact CG-CG1 4.41Å; Q222-W235 VanDerWaalsContact CA-O 3.31Å; Q222-W235 WeakPolarHBondContact CA-O 3.47Å
223L96.3Very high93.5Very high8 Ų831.6 Ų31.64%0.04216%0.158CC..EExtended strand (participates in β ladder)trans-102.5130.1173.7170.459.8000108.9L182 I190 L214 D215 T225 V234 W235L182-L223 HydrophobicContact CD1-CD1 3.82Å; I190-L223 HydrophobicContact CD1-CD2 3.96Å; I190-L223 HydrophobicContact CG2-CD2 4.01Å; L214-L223 HydrophobicContact CB-CD1 4.14Å; L214-L223 HydrophobicContact CD1-CD1 4.2Å; D215-L223 WeakPolarHBondContact O-CD1 3.41Å; L223-T225 HydrophobicContact CD1-CG2 4.13Å; L223-T225 HydrophobicContact CD2-CG2 4.31Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; L223-V234 CarbonylContact O-C 3.59Å; L223-V234 WeakPolarHBondContact O-CA 3.16Å; L223-W235 HydrophobicContact CB-CB 4.26Å; L223-W235 PolarHBondContact N-O 2.97Å; L223-W235 PolarHBondContact O-N 3.13Å
224V97.8Very high93.5Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-109.7132.7172.61760000108.8L214 D215 N233 V234 C263 F265 L277L214-V224 CarbonylContact C-O 3.54Å; L214-V224 WeakPolarHBondContact CA-O 3.31Å; D215-V224 PolarHBondContact N-O 3.33Å; D215-V224 PolarHBondContact O-N 2.86Å; V224-N233 CarbonylContact C-O 3.55Å; V224-N233 WeakPolarHBondContact CA-O 3.38Å; V224-V234 HydrophobicContact CG2-CG1 4.12Å; V224-V234 HydrophobicContact CG2-CG2 4.01Å; V224-C263 HydrophobicContact CG1-CB 3.78Å; V224-F265 HydrophobicContact CB-CE2 4.05Å; V224-F265 HydrophobicContact CB-CZ 4.42Å; V224-F265 HydrophobicContact CG2-CE1 4.44Å; V224-F265 HydrophobicContact CG2-CE2 3.43Å; V224-F265 VanDerWaalsContact CG2-CE2 3.43Å; V224-F265 HydrophobicContact CG2-CZ 3.34Å; V224-L277 HydrophobicContact CB-CD1 4.38Å; V224-L277 HydrophobicContact CG1-CD1 4.23Å; V224-L277 HydrophobicContact CG1-CD2 4.19Å; V224-L277 HydrophobicContact CG2-CD1 4.14Å; V224-L277 HydrophobicContact CG2-CD2 3.9Å
225T98.2Very high93.4Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-129.5145.6177.562.40000111.9I190 H207 L214 L223 C232 N233 W235I190-T225 HydrophobicContact CD1-CG2 3.19Å; I190-T225 HydrophobicContact CG1-CG2 4.1Å; H207-T225 WeakPolarHBondContact NE2-CB 2.78Å; H207-T225 PolarHBondContact NE2-OG1 3.48Å; L214-T225 HydrophobicContact CB-CG2 3.72Å; L223-T225 HydrophobicContact CD1-CG2 4.13Å; L223-T225 HydrophobicContact CD2-CG2 4.31Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; T225-C232 CarbonylContact O-C 3.53Å; T225-C232 VanDerWaalsContact O-CA 3.29Å; T225-C232 WeakPolarHBondContact O-CA 3.26Å; T225-N233 PolarHBondContact N-O 2.88Å; T225-N233 PolarHBondContact O-N 3.38Å; T225-W235 PolarHBondContact OG1-NE1 2.88Å
226V97.8Very high93.3Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-127.4137.4177-62.80000110D212 D213 C232 Y260 C263D212-V226 HydrophobicContact CB-CG2 4.43Å; D212-V226 PolarHBondContact N-O 2.63Å; D213-V226 HydrophobicContact CB-CG2 3.5Å; D213-V226 PolarHBondContact N-O 3.44Å; D213-V226 WeakPolarHBondContact O-CG2 3.33Å; D213-V226 PolarHBondContact O-N 3.45Å; V226-C232 HydrophobicContact CG1-CB 3.93Å; V226-C232 VanDerWaalsContact CG1-SG 3.53Å; V226-Y260 HydrophobicContact CG1-CG 4.23Å; V226-C263 HydrophobicContact CG1-CB 3.97Å
227G96.5Very high93.1Very high0 Ų036.7 Ų36.70%019%0.189CC..EExtended strand (participates in β ladder)trans-131.9169.2-175.400000114.3H207 E210 D229 F230 V231H207-G227 PolarHBondContact CE1-N 3.22Å; E210-G227 VanDerWaalsContact O-CA 3.32Å; E210-G227 WeakPolarHBondContact O-CA 3.38Å; G227-D229 PolarHBondContact O-N 2.86Å; G227-F230 PolarHBondContact O-N 3.34Å; G227-V231 PolarHBondContact N-O 3.05Å
228R95.9Very high93.1Very high97 Ų9739.8 Ų39.837%0.36621%0.206SC..THydrogen-bonded Turntrans-72.6-3174.3-70.6-165.4175.8179.8-0.2114K209 E210 D212K209-R228 HydrophobicContact CB-CB 3.86Å; K209-R228 HydrophobicContact CD-CB 4.17Å; K209-R228 WeakPolarHBondContact CD-O 3.3Å; E210-R228 HydrophobicContact CB-CG 4.29Å; E210-R228 PolarHBondContact O-N 3.04Å; E210-R228 IonicContact OE1-CZ 3.34Å; E210-R228 IonicContact OE1-NE 2.76Å; E210-R228 IonicContact OE1-NH1 3.21Å; E210-R228 PolarHBondContact OE1-NH1 2.66Å; E210-R228 IonicContact OE2-CZ 3.38Å; E210-R228 IonicContact OE2-NE 2.88Å; E210-R228 PolarHBondContact OE2-NE 3.13Å; E210-R228 IonicContact OE2-NH1 3.08Å; E210-R228 PolarHBondContact OE2-NH1 2.63Å; E210-R228 IonicContact OE2-NH2 3.33Å; D212-R228 IonicContact OD1-NE 3.01Å; D212-R228 WeakPolarHBondContact OD2-CG 3.43Å
229D95.3Very high93.7Very high26 Ų2642.2 Ų42.214%0.13921%0.211CC..THydrogen-bonded Turntrans-85.19.9174.163.6-4.9000113.4H207 E208 K209 G227 V231H207-D229 VanDerWaalsContact CA-OD2 3.23Å; H207-D229 WeakPolarHBondContact CA-OD2 3.1Å; H207-D229 VanDerWaalsContact CB-OD2 3.29Å; H207-D229 WeakPolarHBondContact CB-OD2 3.2Å; H207-D229 IonicContact CE1-OD1 3.85Å; H207-D229 IonicContact CG-OD1 3.84Å; H207-D229 IonicContact CG-OD2 3.58Å; H207-D229 IonicContact ND1-OD1 2.93Å; H207-D229 PolarHBondContact ND1-OD1 2.86Å; H207-D229 IonicContact ND1-OD2 3.12Å; H207-D229 PolarHBondContact ND1-OD2 3.48Å; H207-D229 VanDerWaalsContact ND1-OD2 3.12Å; E208-D229 HydrophobicContact CB-CB 4.24Å; E208-D229 PolarHBondContact N-OD2 2.92Å; K209-D229 HydrophobicContact CB-CB 4.28Å; K209-D229 HydrophobicContact CG-CB 4.29Å; G227-D229 PolarHBondContact O-N 2.86Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 PolarHBondContact OD1-N 2.84Å
230F95.3Very high94.4Very high44 Ų4442.5 Ų42.519%0.19321%0.214CC..SBendtrans73.83.9177.9-49.7-88.7000115G227 K256 Y258 R259 H284G227-F230 PolarHBondContact O-N 3.34Å; F230-K256 HydrophobicContact CD1-CB 4.25Å; F230-K256 HydrophobicContact CD2-CB 4.44Å; F230-K256 HydrophobicContact CD2-CG 4.13Å; F230-K256 HydrophobicContact CE1-CB 4.07Å; F230-K256 VanDerWaalsContact CE1-O 3.32Å; F230-K256 WeakPolarHBondContact CE1-O 3.41Å; F230-K256 HydrophobicContact CE2-CB 4.31Å; F230-K256 HydrophobicContact CE2-CG 4.34Å; F230-K256 HydrophobicContact CG-CB 4.43Å; F230-K256 HydrophobicContact CG-CG 4.28Å; F230-K256 HydrophobicContact CZ-CB 4.12Å; F230-Y258 WeakPolarHBondContact CD1-O 3.27Å; F230-R259 HydrophobicContact CD1-CB 3.82Å; F230-R259 HydrophobicContact CE1-CB 4.34Å; F230-H284 HydrophobicContact CE1-CB 3.64Å; F230-H284 AromaticContact CE1-CD2 3.76Å; F230-H284 AromaticContact CE1-CG 3.37Å; F230-H284 AromaticContact CE1-ND1 3.6Å; F230-H284 HydrophobicContact CZ-CB 4.35Å; F230-H284 AromaticContact CZ-CD2 3.55Å; F230-H284 AromaticContact CZ-CE1 3.66Å; F230-H284 AromaticContact CZ-CG 3.62Å; F230-H284 AromaticContact CZ-ND1 3.68Å; F230-H284 AromaticContact CZ-NE2 3.6Å
231V95.7Very high95.2Very high49 Ų4944.2 Ų44.230%0.29722%0.222SC..  trans-102.8145.4-175.9-169.50000110.8H207 G227 D229 N233H207-V231 PolarHBondContact CE1-O 2.87Å; G227-V231 PolarHBondContact N-O 3.05Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 PolarHBondContact OD1-N 2.84Å; V231-N233 WeakPolarHBondContact CG1-OD1 3.43Å
232C97.1Very high95.7Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-115.9110.4165.5-178.70000108.2T225 V226 S243 L244 Y260T225-C232 CarbonylContact O-C 3.53Å; T225-C232 VanDerWaalsContact O-CA 3.29Å; T225-C232 WeakPolarHBondContact O-CA 3.26Å; V226-C232 HydrophobicContact CG1-CB 3.93Å; V226-C232 VanDerWaalsContact CG1-SG 3.53Å; C232-S243 CarbonylContact O-C 3.49Å; C232-S243 WeakPolarHBondContact O-CA 3.34Å; C232-L244 HydrophobicContact CB-CB 4.13Å; C232-L244 HydrophobicContact CB-CD1 4.38Å; C232-L244 HydrophobicContact CB-CG 4.33Å; C232-L244 PolarHBondContact O-N 2.96Å; C232-L244 VanDerWaalsContact SG-CD1 3.53Å; C232-Y260 HydrophobicContact CB-CD1 3.81Å; C232-Y260 HydrophobicContact CB-CD2 3.67Å; C232-Y260 HydrophobicContact CB-CE1 3.83Å; C232-Y260 HydrophobicContact CB-CE2 3.72Å; C232-Y260 HydrophobicContact CB-CG 3.72Å
233N97.7Very high95.9Very high12 Ų1241.1 Ų41.16%0.06422%0.22CC..EExtended strand (participates in β ladder)trans-102.6144.6-174.9-74.4-32.2000111.1A206 V224 T225 V231 W235 L240 S243A206-N233 PolarHBondContact O-ND2 3.2Å; V224-N233 CarbonylContact C-O 3.55Å; V224-N233 WeakPolarHBondContact CA-O 3.38Å; T225-N233 PolarHBondContact N-O 2.88Å; T225-N233 PolarHBondContact O-N 3.38Å; V231-N233 WeakPolarHBondContact CG1-OD1 3.43Å; N233-W235 HydrophobicContact CB-CZ2 3.59Å; N233-W235 VanDerWaalsContact CB-NE1 3.3Å; N233-L240 HydrophobicContact CB-CD1 3.69Å; N233-S243 WeakPolarHBondContact OD1-CB 3.33Å; N233-S243 PolarHBondContact OD1-OG 2.9Å
234V97.5Very high95.8Very high0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-118129.4174.1-168.70000109Q222 L223 V224 V241 T242 L244 L303Q222-V234 HydrophobicContact CB-CG1 4.04Å; Q222-V234 HydrophobicContact CG-CG1 4.41Å; L223-V234 CarbonylContact O-C 3.59Å; L223-V234 WeakPolarHBondContact O-CA 3.16Å; V224-V234 HydrophobicContact CG2-CG1 4.12Å; V224-V234 HydrophobicContact CG2-CG2 4.01Å; V234-V241 WeakPolarHBondContact O-CB 3.1Å; V234-V241 PolarHBondContact O-N 3.33Å; V234-T242 HydrophobicContact CB-CG2 4.13Å; V234-T242 HydrophobicContact CG2-CG2 4.16Å; V234-T242 PolarHBondContact N-O 2.83Å; V234-T242 PolarHBondContact O-N 3.33Å; V234-L244 HydrophobicContact CG2-CD2 3.79Å; V234-L244 HydrophobicContact CG2-CG 4.07Å; V234-L303 HydrophobicContact CB-CD1 4.04Å; V234-L303 HydrophobicContact CG1-CD1 3.81Å; V234-L303 HydrophobicContact CG1-CD2 4.49Å; V234-L303 HydrophobicContact CG2-CD1 3.93Å; V234-L303 HydrophobicContact CG2-CD2 4.33Å
235W96.8Very high95.5Very high17 Ų1744.9 Ų44.96%0.06424%0.239CC..EExtended strand (participates in β ladder)trans-122.8146.9-170.4-50.588.1000110.9F204 A206 Q222 L223 T225 N233 Q239 L240F204-W235 HydrophobicContact CD2-CE3 4.27Å; F204-W235 HydrophobicContact CD2-CH2 4.34Å; F204-W235 HydrophobicContact CD2-CZ3 4.05Å; F204-W235 AromaticContact CE2-CD2 3.71Å; F204-W235 HydrophobicContact CE2-CD2 3.71Å; F204-W235 AromaticContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CG 4.36Å; F204-W235 HydrophobicContact CE2-CH2 4.08Å; F204-W235 HydrophobicContact CE2-CZ2 4.21Å; F204-W235 AromaticContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CZ-CD2 4.25Å; F204-W235 HydrophobicContact CZ-CE3 4.26Å; F204-W235 HydrophobicContact CZ-CG 4.46Å; A206-W235 HydrophobicContact CB-CH2 4.36Å; A206-W235 HydrophobicContact CB-CZ2 3.66Å; Q222-W235 VanDerWaalsContact CA-O 3.31Å; Q222-W235 WeakPolarHBondContact CA-O 3.47Å; L223-W235 HydrophobicContact CB-CB 4.26Å; L223-W235 PolarHBondContact N-O 2.97Å; L223-W235 PolarHBondContact O-N 3.13Å; T225-W235 PolarHBondContact OG1-NE1 2.88Å; N233-W235 HydrophobicContact CB-CZ2 3.59Å; N233-W235 VanDerWaalsContact CB-NE1 3.3Å; W235-Q239 VanDerWaalsContact CA-O 3.31Å; W235-Q239 WeakPolarHBondContact CA-O 3.27Å; W235-L240 HydrophobicContact CD2-CD1 4.18Å; W235-L240 HydrophobicContact CE3-CB 3.92Å; W235-L240 HydrophobicContact CE3-CD1 4.2Å; W235-L240 HydrophobicContact CH2-CB 4.15Å; W235-L240 HydrophobicContact CH2-CD1 3.96Å; W235-L240 HydrophobicContact CZ2-CD1 3.95Å; W235-L240 HydrophobicContact CZ3-CB 3.62Å; W235-L240 HydrophobicContact CZ3-CD1 4.1Å; W235-L240 HydrophobicContact CZ3-CG 4.43Å
236S94Very high95.2Very high55 Ų5545.1 Ų45.139%0.38524%0.24SC..EExtended strand (participates in β ladder)trans-116.1113.5161.8-173.70000106.1N238 Q239S236-N238 PolarHBondContact O-N 2.89Å; S236-N238 VanDerWaalsContact O-N 3.09Å; S236-Q239 PolarHBondContact N-O 3.34Å; S236-Q239 PolarHBondContact O-N 2.93Å
237D91.1Very high94.7Very high91 Ų9147.2 Ų47.249%0.48725%0.252SS..THydrogen-bonded Turntrans55.2-109.6-169.1-62.7-53.4000111.9F202F202-D237 HydrophobicContact CE2-CB 3.69Å; F202-D237 HydrophobicContact CZ-CB 3.68Å
238N93.1Very high94Very high67 Ų6754 Ų5436%0.35828%0.283SS..THydrogen-bonded Turntrans-109.56.5176.670.6-10.2000113.6F202 F204 S236F202-N238 HydrophobicContact CD1-CB 3.91Å; F202-N238 HydrophobicContact CE1-CB 4.25Å; F202-N238 HydrophobicContact CG-CB 4.17Å; F204-N238 HydrophobicContact CD1-CB 3.81Å; F204-N238 HydrophobicContact CE1-CB 4.02Å; F204-N238 HydrophobicContact CG-CB 4.24Å; S236-N238 PolarHBondContact O-N 2.89Å; S236-N238 VanDerWaalsContact O-N 3.09Å
239Q95.5Very high93.3Very high127 Ų12751.6 Ų51.659%0.59328%0.279SS*.EExtended strand (participates in β ladder)trans-100.9131.9-178.3-61-58.4-45.300110.6W235 S236 V241W235-Q239 VanDerWaalsContact CA-O 3.31Å; W235-Q239 WeakPolarHBondContact CA-O 3.27Å; S236-Q239 PolarHBondContact N-O 3.34Å; S236-Q239 PolarHBondContact O-N 2.93Å; Q239-V241 PolarHBondContact O-N 2.83Å
240L96.4Very high92.8Very high85 Ų8551.9 Ų51.945%0.44528%0.28SS..EExtended strand (participates in β ladder)trans-70.4118.3174.2-176.767000108.9N233 W235N233-L240 HydrophobicContact CB-CD1 3.69Å; W235-L240 HydrophobicContact CD2-CD1 4.18Å; W235-L240 HydrophobicContact CE3-CB 3.92Å; W235-L240 HydrophobicContact CE3-CD1 4.2Å; W235-L240 HydrophobicContact CH2-CB 4.15Å; W235-L240 HydrophobicContact CH2-CD1 3.96Å; W235-L240 HydrophobicContact CZ2-CD1 3.95Å; W235-L240 HydrophobicContact CZ3-CB 3.62Å; W235-L240 HydrophobicContact CZ3-CD1 4.1Å; W235-L240 HydrophobicContact CZ3-CG 4.43Å
241V94.9Very high92.1Very high76 Ų7655.1 Ų55.146%0.46131%0.305SS..EExtended strand (participates in β ladder)trans-82.7-52175177.20000109.5V234 Q239V234-V241 WeakPolarHBondContact O-CB 3.1Å; V234-V241 PolarHBondContact O-N 3.33Å; Q239-V241 PolarHBondContact O-N 2.83Å
242T95.3Very high91.7Very high59 Ų5959.1 Ų59.136%0.36232%0.321SS..EExtended strand (participates in β ladder)trans-164.3163.5179.8-170.20000110.7V234 L303V234-T242 HydrophobicContact CB-CG2 4.13Å; V234-T242 HydrophobicContact CG2-CG2 4.16Å; V234-T242 PolarHBondContact N-O 2.83Å; V234-T242 PolarHBondContact O-N 3.33Å; T242-L303 HydrophobicContact CG2-CD1 3.5Å; T242-L303 VanDerWaalsContact CG2-CD1 3.5Å
243S95.5Very high91.2Very high51 Ų5160.4 Ų60.436%0.35733%0.328SS..EExtended strand (participates in β ladder)trans-110.3132.1167.9-55.20000108.6C232 N233 N245C232-S243 CarbonylContact O-C 3.49Å; C232-S243 WeakPolarHBondContact O-CA 3.34Å; N233-S243 WeakPolarHBondContact OD1-CB 3.33Å; N233-S243 PolarHBondContact OD1-OG 2.9Å; S243-N245 PolarHBondContact O-N 3.08Å
244L95.1Very high90.6Very high12 Ų1263.1 Ų63.16%0.06335%0.351CS..  trans-70.7129.6179.2-53.9-172.8000109.9C232 V234 Y260 L277 T279 W298 L303C232-L244 HydrophobicContact CB-CB 4.13Å; C232-L244 HydrophobicContact CB-CD1 4.38Å; C232-L244 HydrophobicContact CB-CG 4.33Å; C232-L244 PolarHBondContact O-N 2.96Å; C232-L244 VanDerWaalsContact SG-CD1 3.53Å; V234-L244 HydrophobicContact CG2-CD2 3.79Å; V234-L244 HydrophobicContact CG2-CG 4.07Å; L244-Y260 PolarHBondContact O-OH 2.85Å; L244-L277 HydrophobicContact CD1-CD2 3.58Å; L244-T279 HydrophobicContact CD1-CG2 4.34Å; L244-W298 HydrophobicContact CB-CH2 3.95Å; L244-W298 HydrophobicContact CB-CZ2 4.37Å; L244-W298 HydrophobicContact CB-CZ3 4.11Å; L244-W298 HydrophobicContact CD1-CD2 4.18Å; L244-W298 HydrophobicContact CD1-CE3 4.36Å; L244-W298 HydrophobicContact CD1-CZ2 4.35Å; L244-W298 HydrophobicContact CD2-CE3 4.47Å; L244-L303 HydrophobicContact CD2-CB 3.86Å; L244-L303 HydrophobicContact CD2-CD2 4.46Å
245N90.4Very high90.1Very high74 Ų7470.5 Ų70.540%0.39639%0.386SS..  trans-107.585.6175.9-164.5-4000111.1S243 L247 E248S243-N245 PolarHBondContact O-N 3.08Å; N245-L247 VanDerWaalsContact C-N 3.28Å; N245-L247 PolarHBondContact O-N 2.73Å; N245-L247 PolarHBondContact OD1-N 3.48Å; N245-E248 HydrophobicContact CB-CG 4.14Å; N245-E248 WeakPolarHBondContact CB-OE1 3.27Å; N245-E248 WeakPolarHBondContact ND2-CG 3.44Å; N245-E248 PolarHBondContact ND2-OE1 2.82Å
246W91.8Very high89.5Confident5 Ų576.4 Ų76.42%0.01941%0.412CS..G310 helixtrans-67.9-29.7178.8174.972.4000113E248 T249 M250 I253 Y258 Y260 Q281 Y294 T296 W298 T308W246-E248 PolarHBondContact O-N 3.33Å; W246-T249 WeakPolarHBondContact O-CB 3.24Å; W246-T249 PolarHBondContact O-N 3.04Å; W246-T249 PolarHBondContact O-OG1 3.09Å; W246-M250 HydrophobicContact CH2-CB 4.43Å; W246-M250 HydrophobicContact CH2-CG 4.16Å; W246-M250 HydrophobicContact CZ2-CB 4.45Å; W246-M250 HydrophobicContact CZ2-CG 3.74Å; W246-I253 HydrophobicContact CH2-CD1 3.55Å; W246-I253 HydrophobicContact CZ2-CD1 4.46Å; W246-I253 HydrophobicContact CZ3-CD1 4.02Å; W246-Y258 HydrophobicContact CH2-CD1 4.43Å; W246-Y258 HydrophobicContact CH2-CD2 4.44Å; W246-Y258 HydrophobicContact CH2-CG 4.25Å; W246-Y258 HydrophobicContact CZ3-CD2 4.19Å; W246-Y258 AromaticContact CZ3-CG 3.95Å; W246-Y258 HydrophobicContact CZ3-CG 3.95Å; W246-Y260 HydrophobicContact CB-CE1 4.14Å; W246-Y260 WeakPolarHBondContact CB-OH 3.37Å; W246-Y260 PolarHBondContact N-OH 3.31Å; W246-Q281 HydrophobicContact CD2-CG 3.89Å; W246-Q281 HydrophobicContact CE3-CG 4.1Å; W246-Q281 HydrophobicContact CG-CG 4.21Å; W246-Q281 HydrophobicContact CH2-CB 4.49Å; W246-Q281 HydrophobicContact CZ3-CB 4.49Å; W246-Y294 AromaticContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CE2 4.13Å; W246-Y294 HydrophobicContact CH2-CG 4.12Å; W246-Y294 HydrophobicContact CZ2-CD1 4.28Å; W246-Y294 AromaticContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CE2 4.37Å; W246-Y294 AromaticContact CZ2-CG 3.65Å; W246-Y294 HydrophobicContact CZ2-CG 3.65Å; W246-T296 PolarHBondContact NE1-OG1 2.73Å; W246-W298 HydrophobicContact CB-CH2 3.9Å; W246-W298 HydrophobicContact CB-CZ2 3.89Å; W246-W298 HydrophobicContact CG-CZ2 4.38Å; W246-T308 HydrophobicContact CZ2-CG2 4.09Å; W246-T308 PolarHBondContact NE1-OG1 3.41Å
247L87Confident89.3Confident45 Ų4576.4 Ų76.424%0.23641%0.41CS..G310 helixtrans-64.6-23.9-177.6-68.8171.1000112.4N245 T249 M250 I253 E255N245-L247 VanDerWaalsContact C-N 3.28Å; N245-L247 PolarHBondContact O-N 2.73Å; N245-L247 PolarHBondContact OD1-N 3.48Å; L247-T249 PolarHBondContact O-N 2.96Å; L247-M250 CarbonylContact O-C 3.1Å; L247-M250 PolarHBondContact O-N 3.14Å; L247-I253 HydrophobicContact CD2-CB 4.14Å; L247-I253 HydrophobicContact CD2-CG2 3.92Å; L247-E255 HydrophobicContact CD1-CB 4.39Å; L247-E255 HydrophobicContact CD1-CG 4.04Å
248E82.3Confident89.5Confident143 Ų14373.1 Ų73.167%0.66839%0.391SS*.G310 helixtrans-57.9-28.9170.5-75.7172-160.700112.6N245 W246N245-E248 HydrophobicContact CB-CG 4.14Å; N245-E248 WeakPolarHBondContact CB-OE1 3.27Å; N245-E248 WeakPolarHBondContact ND2-CG 3.44Å; N245-E248 PolarHBondContact ND2-OE1 2.82Å; W246-E248 PolarHBondContact O-N 3.33Å
249T81.6Confident89.6Confident45 Ų4571.6 Ų71.628%0.27638%0.38SS..G310 helixtrans-82.8-14.1175.568.50000113.8W246 L247 P305W246-T249 WeakPolarHBondContact O-CB 3.24Å; W246-T249 PolarHBondContact O-N 3.04Å; W246-T249 PolarHBondContact O-OG1 3.09Å; L247-T249 PolarHBondContact O-N 2.96Å; T249-P305 HydrophobicContact CG2-CB 3.47Å; T249-P305 VanDerWaalsContact CG2-CB 3.47Å; T249-P305 HydrophobicContact CG2-CG 3.18Å
250M84.4Confident89.7Confident32 Ų3266.3 Ų66.316%0.15836%0.355CS..  trans-138.863.1-173.3-65.6-66.6164.500110.6W246 L247 Q252 I253 T308W246-M250 HydrophobicContact CH2-CB 4.43Å; W246-M250 HydrophobicContact CH2-CG 4.16Å; W246-M250 HydrophobicContact CZ2-CB 4.45Å; W246-M250 HydrophobicContact CZ2-CG 3.74Å; L247-M250 CarbonylContact O-C 3.1Å; L247-M250 PolarHBondContact O-N 3.14Å; M250-Q252 PolarHBondContact O-N 3.43Å; M250-Q252 PolarHBondContact SD-NE2 3.12Å; M250-I253 HydrophobicContact CB-CB 4.43Å; M250-I253 HydrophobicContact CB-CD1 3.77Å; M250-I253 HydrophobicContact CB-CG1 4.08Å; M250-I253 HydrophobicContact CG-CD1 4.21Å; M250-I253 WeakPolarHBondContact O-CB 3.17Å; M250-I253 PolarHBondContact O-N 3.34Å; M250-T308 HydrophobicContact CE-CG2 3.58Å
251P81.1Confident89.7Confident112 Ų11263.1 Ų63.173%0.72734%0.338SS*.THydrogen-bonded Turntrans-62.5-18.4-173.726.5-36.2000113.9I253P251-I253 PolarHBondContact O-N 3.48Å
252Q86.8Confident89.8Confident134 Ų13459.5 Ų59.563%0.62632%0.316SS*.THydrogen-bonded Turntrans-72.6-14.9175.272.6-76.94.500113.8M250M250-Q252 PolarHBondContact O-N 3.43Å; M250-Q252 PolarHBondContact SD-NE2 3.12Å
253I87Confident89.9Confident27 Ų2756.7 Ų56.714%0.13830%0.299CS..SBendtrans-93.5124.6-178.8-61.8-178.5000108.5W246 L247 M250 P251 Y258 Y294W246-I253 HydrophobicContact CH2-CD1 3.55Å; W246-I253 HydrophobicContact CZ2-CD1 4.46Å; W246-I253 HydrophobicContact CZ3-CD1 4.02Å; L247-I253 HydrophobicContact CD2-CB 4.14Å; L247-I253 HydrophobicContact CD2-CG2 3.92Å; M250-I253 HydrophobicContact CB-CB 4.43Å; M250-I253 HydrophobicContact CB-CD1 3.77Å; M250-I253 HydrophobicContact CB-CG1 4.08Å; M250-I253 HydrophobicContact CG-CD1 4.21Å; M250-I253 WeakPolarHBondContact O-CB 3.17Å; M250-I253 PolarHBondContact O-N 3.34Å; P251-I253 PolarHBondContact O-N 3.48Å; I253-Y258 HydrophobicContact CD1-CD2 4.35Å; I253-Y258 HydrophobicContact CD1-CE2 3.98Å; I253-Y258 HydrophobicContact CG2-CD2 3.52Å; I253-Y258 HydrophobicContact CG2-CE2 3.77Å; I253-Y294 HydrophobicContact CD1-CE2 4.2Å
254A86.1Confident90Very high68 Ų6855.6 Ų55.656%0.56229%0.287SS*.PPolyproline II helixtrans-64.1149.8177.100000111.8T257A254-T257 VanDerWaalsContact C-OG1 3.31Å; A254-T257 WeakPolarHBondContact O-CB 3.37Å; A254-T257 PolarHBondContact O-N 3.3Å; A254-T257 PolarHBondContact O-OG1 3.44Å
255E85.2Confident90.1Very high155 Ų15555.9 Ų55.972%0.72429%0.288SS*.THydrogen-bonded Turntrans-56.8147.7175.1-68.5-174.7-178.800112.1L247 T257L247-E255 HydrophobicContact CD1-CB 4.39Å; L247-E255 HydrophobicContact CD1-CG 4.04Å; E255-T257 PolarHBondContact O-N 2.99Å
256K84.4Confident90.2Very high141 Ų14152.8 Ų52.861%0.61327%0.273SS*.THydrogen-bonded Turntrans6013.1178.4-55.6175.6-178.4173.10115F230F230-K256 HydrophobicContact CD1-CB 4.25Å; F230-K256 HydrophobicContact CD2-CB 4.44Å; F230-K256 HydrophobicContact CD2-CG 4.13Å; F230-K256 HydrophobicContact CE1-CB 4.07Å; F230-K256 VanDerWaalsContact CE1-O 3.32Å; F230-K256 WeakPolarHBondContact CE1-O 3.41Å; F230-K256 HydrophobicContact CE2-CB 4.31Å; F230-K256 HydrophobicContact CE2-CG 4.34Å; F230-K256 HydrophobicContact CG-CB 4.43Å; F230-K256 HydrophobicContact CG-CG 4.28Å; F230-K256 HydrophobicContact CZ-CB 4.12Å
257T90.8Very high90Very high55 Ų5556 Ų5634%0.33729%0.291SS..SBendtrans-78-34.1172.1-40.30000111.4A254 E255 H284A254-T257 VanDerWaalsContact C-OG1 3.31Å; A254-T257 WeakPolarHBondContact O-CB 3.37Å; A254-T257 PolarHBondContact O-N 3.3Å; A254-T257 PolarHBondContact O-OG1 3.44Å; E255-T257 PolarHBondContact O-N 2.99Å; T257-H284 PolarHBondContact O-N 2.81Å
258Y94.6Very high89.5Confident22 Ų2254.6 Ų54.69%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-116.7150.3177.1-76.1-99000110.8F230 W246 I253 Q281 I282 P283 P291 P292 Y294F230-Y258 WeakPolarHBondContact CD1-O 3.27Å; W246-Y258 HydrophobicContact CH2-CD1 4.43Å; W246-Y258 HydrophobicContact CH2-CD2 4.44Å; W246-Y258 HydrophobicContact CH2-CG 4.25Å; W246-Y258 HydrophobicContact CZ3-CD2 4.19Å; W246-Y258 AromaticContact CZ3-CG 3.95Å; W246-Y258 HydrophobicContact CZ3-CG 3.95Å; I253-Y258 HydrophobicContact CD1-CD2 4.35Å; I253-Y258 HydrophobicContact CD1-CE2 3.98Å; I253-Y258 HydrophobicContact CG2-CD2 3.52Å; I253-Y258 HydrophobicContact CG2-CE2 3.77Å; Y258-Q281 HydrophobicContact CD1-CB 4.16Å; Y258-I282 WeakPolarHBondContact CA-O 3.43Å; Y258-I282 VanDerWaalsContact CD1-C 3.44Å; Y258-P283 HydrophobicContact CE1-CG 3.88Å; Y258-P291 WeakPolarHBondContact OH-CB 3.49Å; Y258-P292 VanDerWaalsContact CE1-O 3.26Å; Y258-P292 WeakPolarHBondContact CE1-O 3.29Å; Y258-P292 PolarHBondContact OH-O 2.96Å; Y258-Y294 HydrophobicContact CD1-CD2 4.42Å; Y258-Y294 AromaticContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CE2 4.03Å; Y258-Y294 AromaticContact CZ-CE2 3.86Å
259R95.3Very high88.9Confident36 Ų3653 Ų5314%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-125.3152.6168.368.6-179.3-169.887.3-15.5110.2D212 F230 Q281 I282D212-R259 IonicContact OD2-CZ 3.24Å; D212-R259 IonicContact OD2-NH1 3.52Å; D212-R259 PolarHBondContact OD2-NH1 3.36Å; D212-R259 IonicContact OD2-NH2 3.83Å; F230-R259 HydrophobicContact CD1-CB 3.82Å; F230-R259 HydrophobicContact CE1-CB 4.34Å; R259-Q281 WeakPolarHBondContact O-CA 3.31Å; R259-I282 HydrophobicContact CG-CG1 3.87Å; R259-I282 PolarHBondContact N-O 2.99Å; R259-I282 PolarHBondContact O-N 2.95Å
260Y97.2Very high88.1Confident15 Ų1555 Ų556%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-68.6137.7166.2-60.7-93.5000109.4V226 C232 L244 W246 T279 Q281 W298V226-Y260 HydrophobicContact CG1-CG 4.23Å; C232-Y260 HydrophobicContact CB-CD1 3.81Å; C232-Y260 HydrophobicContact CB-CD2 3.67Å; C232-Y260 HydrophobicContact CB-CE1 3.83Å; C232-Y260 HydrophobicContact CB-CE2 3.72Å; C232-Y260 HydrophobicContact CB-CG 3.72Å; L244-Y260 PolarHBondContact O-OH 2.85Å; W246-Y260 HydrophobicContact CB-CE1 4.14Å; W246-Y260 WeakPolarHBondContact CB-OH 3.37Å; W246-Y260 PolarHBondContact N-OH 3.31Å; Y260-T279 HydrophobicContact CD1-CG2 4.29Å; Y260-T279 HydrophobicContact CE1-CG2 4.42Å; Y260-Q281 HydrophobicContact CD1-CG 4.08Å; Y260-Q281 HydrophobicContact CE1-CG 4.19Å; Y260-W298 HydrophobicContact CE1-CZ2 4.36Å
261M96.7Very high87.4Confident18 Ų1859.9 Ų59.99%0.08931%0.311CS..EExtended strand (participates in β ladder)trans-113.7-43.7-179.5-177.4-77.8-64.100111.2V280 I282 I316M261-V280 HydrophobicContact CE-CB 4Å; M261-V280 HydrophobicContact CE-CG1 3.73Å; M261-V280 PolarHBondContact N-O 2.86Å; M261-I282 HydrophobicContact CB-CD1 4.01Å; M261-I282 HydrophobicContact CB-CG1 4.06Å; M261-I282 HydrophobicContact CB-CG2 3.9Å; M261-I282 HydrophobicContact CG-CD1 3.94Å; M261-I282 HydrophobicContact CG-CG2 4.27Å; M261-I316 HydrophobicContact CE-CB 3.79Å; M261-I316 HydrophobicContact CE-CG2 3.44Å; M261-I316 VanDerWaalsContact CE-CG2 3.44Å
262A97.7Very high86.6Confident1 Ų163.9 Ų63.91%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-140.4153.2-179.500000111.4D213 T279 V280 L319D213-A262 VanDerWaalsContact OD2-CA 3.31Å; D213-A262 WeakPolarHBondContact OD2-CA 3.48Å; D213-A262 WeakPolarHBondContact OD2-CB 3.48Å; A262-T279 WeakPolarHBondContact O-CA 3.12Å; A262-V280 HydrophobicContact CB-CB 4.48Å; A262-V280 PolarHBondContact O-N 3.49Å; A262-L319 HydrophobicContact CB-CB 3.68Å; A262-L319 HydrophobicContact CB-CD2 4.11Å
263C97.8Very high85.7Confident0 Ų062.7 Ų62.70%031%0.314CS..EExtended strand (participates in β ladder)trans-138.6132.8174.555.90000110.1D213 V224 V226 L277 Y278 T279D213-C263 PolarHBondContact OD2-N 2.99Å; D213-C263 VanDerWaalsContact OD2-N 3.13Å; V224-C263 HydrophobicContact CG1-CB 3.78Å; V226-C263 HydrophobicContact CG1-CB 3.97Å; C263-L277 HydrophobicContact CB-CD1 4.32Å; C263-Y278 CarbonylContact C-O 3.55Å; C263-Y278 WeakPolarHBondContact CA-O 3.27Å; C263-T279 HydrophobicContact CB-CG2 4.4Å
264R97.6Very high85.6Confident27 Ų2761.7 Ų61.710%0.10231%0.31CS..EExtended strand (participates in β ladder)trans-142.5132.8175.4-65.7-67.9169.8-109.9-7.1111.9D213 L214 D215 Y278 L319 V321D213-R264 IonicContact OD1-CZ 3.62Å; D213-R264 IonicContact OD1-NH1 2.69Å; D213-R264 PolarHBondContact OD1-NH1 3.43Å; D213-R264 IonicContact OD1-NH2 3.82Å; D213-R264 PolarHBondContact OD1-NH2 3.41Å; D213-R264 IonicContact OD2-CZ 3.83Å; D213-R264 IonicContact OD2-NH1 2.76Å; D213-R264 PolarHBondContact OD2-NH1 3.07Å; D213-R264 IonicContact OD2-NH2 3.09Å; D213-R264 PolarHBondContact OD2-NH2 2.96Å; L214-R264 PolarHBondContact O-NH1 3.21Å; D215-R264 VanDerWaalsContact OD2-CA 3.26Å; D215-R264 WeakPolarHBondContact OD2-CA 3.37Å; R264-Y278 PolarHBondContact N-O 3.28Å; R264-Y278 PolarHBondContact O-N 2.76Å; R264-L319 HydrophobicContact CB-CD2 4Å; R264-L319 HydrophobicContact CB-CG 4.44Å; R264-L319 HydrophobicContact CG-CB 4.5Å; R264-L319 HydrophobicContact CG-CD2 3.74Å; R264-L319 HydrophobicContact CG-CG 3.86Å; R264-L319 PolarHBondContact NE-O 3.34Å; R264-V321 HydrophobicContact CB-CG2 3.42Å; R264-V321 VanDerWaalsContact CB-CG2 3.42Å; R264-V321 HydrophobicContact CG-CG2 4.18Å
265F96.1Very high85.8Confident19 Ų1958.5 Ų58.58%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-78.5151.9165.6-76-73.9000110.9D215 V224 I275 R276 L277D215-F265 HydrophobicContact CB-CD2 4.32Å; D215-F265 PolarHBondContact OD2-N 2.79Å; V224-F265 HydrophobicContact CB-CE2 4.05Å; V224-F265 HydrophobicContact CB-CZ 4.42Å; V224-F265 HydrophobicContact CG2-CE1 4.44Å; V224-F265 HydrophobicContact CG2-CE2 3.43Å; V224-F265 VanDerWaalsContact CG2-CE2 3.43Å; V224-F265 HydrophobicContact CG2-CZ 3.34Å; F265-I275 HydrophobicContact CB-CG2 4.5Å; F265-I275 HydrophobicContact CD1-CG2 3.54Å; F265-I275 HydrophobicContact CE1-CG2 4.18Å; F265-I275 HydrophobicContact CG-CG2 4.42Å; F265-R276 CarbonylContact C-O 3.53Å; F265-R276 WeakPolarHBondContact CA-O 3.39Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 HydrophobicContact CD1-CD1 4.22Å; F265-L277 HydrophobicContact CD2-CD1 4.42Å; F265-L277 HydrophobicContact CE1-CB 3.86Å; F265-L277 HydrophobicContact CE1-CD1 4.18Å; F265-L277 HydrophobicContact CE1-CG 4.46Å; F265-L277 HydrophobicContact CE2-CD1 4.37Å; F265-L277 HydrophobicContact CG-CD1 4.37Å; F265-L277 HydrophobicContact CZ-CD1 4.27Å
266G92.5Very high86.3Confident8 Ų852 Ų528%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-150.4149.8175.100000111R276G266-R276 PolarHBondContact N-O 3.29Å; G266-R276 PolarHBondContact O-N 3.49Å
267N87.6Confident86.9Confident74 Ų7445.3 Ų45.340%0.39622%0.224SC..EExtended strand (participates in β ladder)trans-70.4133.4172.3-61.8-33000109.3G325N267-G325 WeakPolarHBondContact O-CA 3.05Å
268G77.9Confident87.2Confident14 Ų1442.9 Ų42.914%0.14421%0.208CC..  trans-73.3133.317500000110.6D270 A274G268-D270 VanDerWaalsContact C-N 3.32Å; G268-A274 PolarHBondContact N-O 2.96Å
269E69.9Low87.4Confident109 Ų10941.8 Ų41.851%0.50920%0.204SC..SBendtrans-70.9-29.8176.9-175.1169.4-160.100112.2R326E269-R326 HydrophobicContact CB-CG 4.49Å; E269-R326 HydrophobicContact CG-CG 4.26Å; E269-R326 WeakPolarHBondContact OE1-CD 3.43Å; E269-R326 WeakPolarHBondContact OE2-CG 3.13Å
270D64.5Low87.5Confident89 Ų8940.1 Ų40.148%0.47620%0.197SC..SBendtrans-79.9-22.2-165-47.9-49.8000114.1G268 F343G268-D270 VanDerWaalsContact C-N 3.32Å; D270-F343 VanDerWaalsContact CG-CE2 3.48Å; D270-F343 VanDerWaalsContact OD1-CD2 3.28Å; D270-F343 WeakPolarHBondContact OD1-CD2 3.37Å; D270-F343 WeakPolarHBondContact OD1-CE2 3.38Å; D270-F343 WeakPolarHBondContact OD2-CD2 3.46Å; D270-F343 WeakPolarHBondContact OD2-CE2 3.31Å
271E68.1Low87.5Confident133 Ų13339.4 Ų39.462%0.62120%0.195SC*.SBendtrans-150139.1-171.9-161.5178.3-170.500110.9D273 A274E271-D273 PolarHBondContact O-N 3.03Å; E271-A274 HydrophobicContact CB-CB 3.91Å; E271-A274 WeakPolarHBondContact O-CB 3.36Å; E271-A274 PolarHBondContact O-N 3.28Å; E271-A274 VanDerWaalsContact O-N 3.1Å
272K64.3Low87.5Confident196 Ų19639 Ų3985%0.85219%0.193SC*.THydrogen-bonded Turntrans-57.1125.8170.2-116.5179.3175-177.70107.8A274K272-A274 VanDerWaalsContact C-N 3.3Å; K272-A274 PolarHBondContact O-N 2.75Å
273D69.5Low87.3Confident109 Ų10939.6 Ų39.658%0.58320%0.197SC*.THydrogen-bonded Turntrans69.614.3-178.6-45.6-35.2000116.4I219 E271 K301I219-D273 HydrophobicContact CD1-CB 4.14Å; E271-D273 PolarHBondContact O-N 3.03Å; D273-K301 WeakPolarHBondContact O-CE 3.42Å; D273-K301 PolarHBondContact O-NZ 3.42Å
274A84.6Confident87.1Confident6 Ų643.4 Ų43.45%0.0522%0.215CC..  trans-68.5133.5163.600000109.7G268 E271 K272G268-A274 PolarHBondContact N-O 2.96Å; E271-A274 HydrophobicContact CB-CB 3.91Å; E271-A274 WeakPolarHBondContact O-CB 3.36Å; E271-A274 PolarHBondContact O-N 3.28Å; E271-A274 VanDerWaalsContact O-N 3.1Å; K272-A274 VanDerWaalsContact C-N 3.3Å; K272-A274 PolarHBondContact O-N 2.75Å
275I90.6Very high86.6Confident1 Ų149.4 Ų49.41%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-116.3142.3168.6-59.7163.1000107.4S217 I219 F265 G300S217-I275 WeakPolarHBondContact OG-CD1 3.37Å; I219-I275 HydrophobicContact CB-CD1 3.39Å; I219-I275 HydrophobicContact CB-CG1 4.36Å; I219-I275 HydrophobicContact CD1-CD1 3.69Å; I219-I275 HydrophobicContact CD1-CG1 3.68Å; I219-I275 HydrophobicContact CG1-CD1 3.56Å; I219-I275 HydrophobicContact CG1-CG1 4.01Å; I219-I275 HydrophobicContact CG2-CD1 4.47Å; F265-I275 HydrophobicContact CB-CG2 4.5Å; F265-I275 HydrophobicContact CD1-CG2 3.54Å; F265-I275 HydrophobicContact CE1-CG2 4.18Å; F265-I275 HydrophobicContact CG-CG2 4.42Å; I275-G300 WeakPolarHBondContact O-CA 3.24Å; I275-G300 PolarHBondContact O-N 2.85Å
276R94.5Very high85.9Confident20 Ų2058.6 Ų58.68%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-121.1142171.7-56.4-61.3171-127.310.2108.7F265 G266 Y278 W298 D299F265-R276 CarbonylContact C-O 3.53Å; F265-R276 WeakPolarHBondContact CA-O 3.39Å; G266-R276 PolarHBondContact N-O 3.29Å; G266-R276 PolarHBondContact O-N 3.49Å; R276-Y278 HydrophobicContact CB-CD2 4.46Å; R276-Y278 HydrophobicContact CB-CE2 3.65Å; R276-W298 WeakPolarHBondContact CA-O 3.25Å; R276-D299 IonicContact CZ-OD2 2.9Å; R276-D299 IonicContact NH1-OD2 2.66Å; R276-D299 PolarHBondContact NH1-OD2 2.9Å
277L96.5Very high85.4Confident0 Ų062.7 Ų62.70%030%0.296CS..EExtended strand (participates in β ladder)trans-104.8134.7167.6169.968.3000107.6V224 L244 C263 F265 T279 W298 L303V224-L277 HydrophobicContact CB-CD1 4.38Å; V224-L277 HydrophobicContact CG1-CD1 4.23Å; V224-L277 HydrophobicContact CG1-CD2 4.19Å; V224-L277 HydrophobicContact CG2-CD1 4.14Å; V224-L277 HydrophobicContact CG2-CD2 3.9Å; L244-L277 HydrophobicContact CD1-CD2 3.58Å; C263-L277 HydrophobicContact CB-CD1 4.32Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 HydrophobicContact CD1-CD1 4.22Å; F265-L277 HydrophobicContact CD2-CD1 4.42Å; F265-L277 HydrophobicContact CE1-CB 3.86Å; F265-L277 HydrophobicContact CE1-CD1 4.18Å; F265-L277 HydrophobicContact CE1-CG 4.46Å; F265-L277 HydrophobicContact CE2-CD1 4.37Å; F265-L277 HydrophobicContact CG-CD1 4.37Å; F265-L277 HydrophobicContact CZ-CD1 4.27Å; L277-T279 HydrophobicContact CD2-CG2 4.4Å; L277-T279 HydrophobicContact CG-CG2 4.24Å; L277-W298 HydrophobicContact CB-CB 4.1Å; L277-W298 PolarHBondContact N-O 2.9Å; L277-W298 VanDerWaalsContact N-O 3.11Å; L277-W298 PolarHBondContact O-N 2.86Å; L277-L303 HydrophobicContact CD2-CD2 4.41Å
278Y97.8Very high85.1Confident3 Ų369.9 Ų69.91%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-115.3124.8177.1-63-78.7000108.8C263 R264 R276 T296 K297 V321 L328 A342 L345C263-Y278 CarbonylContact C-O 3.55Å; C263-Y278 WeakPolarHBondContact CA-O 3.27Å; R264-Y278 PolarHBondContact N-O 3.28Å; R264-Y278 PolarHBondContact O-N 2.76Å; R276-Y278 HydrophobicContact CB-CD2 4.46Å; R276-Y278 HydrophobicContact CB-CE2 3.65Å; Y278-T296 WeakPolarHBondContact CA-O 3.47Å; Y278-K297 HydrophobicContact CD1-CB 4.17Å; Y278-K297 HydrophobicContact CD1-CG 4.4Å; Y278-K297 HydrophobicContact CE1-CB 3.9Å; Y278-K297 HydrophobicContact CE1-CD 4.31Å; Y278-K297 HydrophobicContact CE1-CG 3.75Å; Y278-V321 HydrophobicContact CD2-CG2 4Å; Y278-L328 HydrophobicContact CD1-CD1 3.6Å; Y278-L328 HydrophobicContact CD1-CD2 3.94Å; Y278-L328 HydrophobicContact CD1-CG 4.38Å; Y278-L328 HydrophobicContact CD2-CD2 3.82Å; Y278-L328 HydrophobicContact CE1-CD1 3.89Å; Y278-L328 HydrophobicContact CE1-CD2 4.16Å; Y278-L328 HydrophobicContact CE1-CG 4.49Å; Y278-L328 HydrophobicContact CE2-CD2 4.05Å; Y278-L328 HydrophobicContact CG-CD1 4.17Å; Y278-L328 HydrophobicContact CG-CD2 3.75Å; Y278-A342 HydrophobicContact CE1-CB 4.23Å; Y278-A342 VanDerWaalsContact CE1-O 3.26Å; Y278-A342 WeakPolarHBondContact CE1-O 3.4Å; Y278-A342 HydrophobicContact CE2-CB 4.44Å; Y278-A342 WeakPolarHBondContact OH-CB 3.42Å; Y278-A342 PolarHBondContact OH-O 3.26Å; Y278-L345 HydrophobicContact CD1-CD2 4.26Å; Y278-L345 HydrophobicContact CE1-CD2 4.13Å
279T98.3Very high85.4Confident0 Ų078.1 Ų78.10%036%0.355CS..EExtended strand (participates in β ladder)trans-119.5150.9174.664.10000110.6L244 Y260 A262 C263 L277 Q281 I295 T296 W298L244-T279 HydrophobicContact CD1-CG2 4.34Å; Y260-T279 HydrophobicContact CD1-CG2 4.29Å; Y260-T279 HydrophobicContact CE1-CG2 4.42Å; A262-T279 WeakPolarHBondContact O-CA 3.12Å; C263-T279 HydrophobicContact CB-CG2 4.4Å; L277-T279 HydrophobicContact CD2-CG2 4.4Å; L277-T279 HydrophobicContact CG-CG2 4.24Å; T279-Q281 PolarHBondContact OG1-NE2 3.04Å; T279-I295 WeakPolarHBondContact O-CA 3.5Å; T279-T296 PolarHBondContact N-O 3.42Å; T279-T296 PolarHBondContact O-N 3.36Å; T279-W298 PolarHBondContact OG1-NE1 3.08Å
280V98.1Very high86.2Confident0 Ų075.5 Ų75.50%035%0.347CS..EExtended strand (participates in β ladder)trans-117.2128.1172173.80000109.3M261 A262 I282 Y294 I295 I316 L319 L330M261-V280 HydrophobicContact CE-CB 4Å; M261-V280 HydrophobicContact CE-CG1 3.73Å; M261-V280 PolarHBondContact N-O 2.86Å; A262-V280 HydrophobicContact CB-CB 4.48Å; A262-V280 PolarHBondContact O-N 3.49Å; V280-I282 HydrophobicContact CG1-CG2 4.05Å; V280-Y294 WeakPolarHBondContact CA-O 3.46Å; V280-I295 HydrophobicContact CG2-CG1 4.34Å; V280-I316 HydrophobicContact CG1-CB 3.8Å; V280-I316 HydrophobicContact CG1-CG1 3.94Å; V280-I316 HydrophobicContact CG1-CG2 3.99Å; V280-L319 HydrophobicContact CG2-CB 4.38Å; V280-L319 HydrophobicContact CG2-CD1 4.28Å; V280-L319 HydrophobicContact CG2-CD2 4.08Å; V280-L319 HydrophobicContact CG2-CG 4.48Å; V280-L330 HydrophobicContact CG2-CD2 4.16Å
281Q96.8Very high87.6Confident1 Ų173 Ų731%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-109.9128.4177.1-58.183.6-8.300109.3W246 Y258 R259 Y260 T279 C293 Y294 T296W246-Q281 HydrophobicContact CD2-CG 3.89Å; W246-Q281 HydrophobicContact CE3-CG 4.1Å; W246-Q281 HydrophobicContact CG-CG 4.21Å; W246-Q281 HydrophobicContact CH2-CB 4.49Å; W246-Q281 HydrophobicContact CZ3-CB 4.49Å; Y258-Q281 HydrophobicContact CD1-CB 4.16Å; R259-Q281 WeakPolarHBondContact O-CA 3.31Å; Y260-Q281 HydrophobicContact CD1-CG 4.08Å; Y260-Q281 HydrophobicContact CE1-CG 4.19Å; T279-Q281 PolarHBondContact OG1-NE2 3.04Å; Q281-C293 WeakPolarHBondContact O-CA 3.47Å; Q281-Y294 PolarHBondContact N-O 3.06Å; Q281-Y294 PolarHBondContact O-N 2.77Å; Q281-Y294 PolarHBondContact OE1-O 3Å; Q281-T296 PolarHBondContact NE2-OG1 2.95Å; Q281-T296 PolarHBondContact OE1-OG1 3.32Å
282I96.3Very high88.8Confident8 Ų868.5 Ų68.54%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-120151.417970.1173.2000110.5Y258 R259 M261 V280 H284 C293 V315 I316Y258-I282 WeakPolarHBondContact CA-O 3.43Å; Y258-I282 VanDerWaalsContact CD1-C 3.44Å; R259-I282 HydrophobicContact CG-CG1 3.87Å; R259-I282 PolarHBondContact N-O 2.99Å; R259-I282 PolarHBondContact O-N 2.95Å; M261-I282 HydrophobicContact CB-CD1 4.01Å; M261-I282 HydrophobicContact CB-CG1 4.06Å; M261-I282 HydrophobicContact CB-CG2 3.9Å; M261-I282 HydrophobicContact CG-CD1 3.94Å; M261-I282 HydrophobicContact CG-CG2 4.27Å; V280-I282 HydrophobicContact CG1-CG2 4.05Å; I282-H284 PolarHBondContact O-N 2.86Å; I282-C293 HydrophobicContact CG2-CB 4.4Å; I282-V315 HydrophobicContact CB-CG1 4.4Å; I282-V315 HydrophobicContact CD1-CG1 3.88Å; I282-V315 HydrophobicContact CG2-CG1 4.39Å; I282-I316 HydrophobicContact CG2-CB 4.33Å
283P94.7Very high90.4Very high15 Ų1559.2 Ų59.210%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-60.1131.5172.8-20.932.9000110.4Y258 P291Y258-P283 HydrophobicContact CE1-CG 3.88Å; P283-P291 HydrophobicContact CB-CG 3.97Å; P283-P291 HydrophobicContact CG-CG 3.73Å; P283-P291 WeakPolarHBondContact CG-O 3.23Å
284H92.4Very high91.7Very high80 Ų8055.7 Ų55.737%0.3726%0.257SS..SBendtrans-73.2-40.3178.9176.668.7000111.9F230 T257 I282F230-H284 HydrophobicContact CE1-CB 3.64Å; F230-H284 AromaticContact CE1-CD2 3.76Å; F230-H284 AromaticContact CE1-CG 3.37Å; F230-H284 AromaticContact CE1-ND1 3.6Å; F230-H284 HydrophobicContact CZ-CB 4.35Å; F230-H284 AromaticContact CZ-CD2 3.55Å; F230-H284 AromaticContact CZ-CE1 3.66Å; F230-H284 AromaticContact CZ-CG 3.62Å; F230-H284 AromaticContact CZ-ND1 3.68Å; F230-H284 AromaticContact CZ-NE2 3.6Å; T257-H284 PolarHBondContact O-N 2.81Å; I282-H284 PolarHBondContact O-N 2.86Å
285K88.5Confident92.3Very high152 Ų15255.5 Ų55.566%0.66126%0.255SS*.SBendtrans-96.1142.3176-64.7-176.5-178177.30110.1
286R81.1Confident92.6Very high212 Ų21255.4 Ų55.480%0.826%0.255SS*.  trans-91.5105.6174.8-67.7-173.7-179.8-1720.5109.3
287D82.3Confident92.7Very high95 Ų9554.9 Ų54.951%0.50825%0.253SS..  trans-93.1158.2175.7-65.7-37.7000111.7K289D287-K289 PolarHBondContact O-N 2.88Å
288K80.4Confident92.6Very high224 Ų22455 Ų5597%0.97425%0.253SS*.SBendtrans-57.7-32.2174.9-72.6-174.5178.8-179.80112.5
289K84.8Confident92.4Very high188 Ų18856.2 Ų56.282%0.81726%0.26SS*.SBendtrans-117.589.7170-70.1-175.8-179.8-179.40107.1D287D287-K289 PolarHBondContact O-N 2.88Å
290P86.6Confident92Very high53 Ų5356.2 Ų56.234%0.34426%0.26SS..PPolyproline II helixtrans-65.7132.5-175.125-31.8000109.5T313P290-T313 WeakPolarHBondContact O-CG2 3.3Å
291P92.9Very high91.5Very high37 Ų3761.4 Ų61.424%0.2428%0.283CS..PPolyproline II helixtrans-69161.2172.332.5-33.9000109.7Y258 P283Y258-P291 WeakPolarHBondContact OH-CB 3.49Å; P283-P291 HydrophobicContact CB-CG 3.97Å; P283-P291 HydrophobicContact CG-CG 3.73Å; P283-P291 WeakPolarHBondContact CG-O 3.23Å
292P95.1Very high91.1Very high38 Ų3867 Ų6725%0.24731%0.311CS..PPolyproline II helixtrans-68.1146.9-174.429.1-35.4000111.8Y258 Y294 P310 G312Y258-P292 VanDerWaalsContact CE1-O 3.26Å; Y258-P292 WeakPolarHBondContact CE1-O 3.29Å; Y258-P292 PolarHBondContact OH-O 2.96Å; P292-Y294 HydrophobicContact CG-CE2 4.12Å; P292-Y294 WeakPolarHBondContact O-CD2 3.35Å; P292-Y294 WeakPolarHBondContact O-CE2 3.49Å; P292-P310 HydrophobicContact CB-CB 4.23Å; P292-G312 CarbonylContact C-O 3.55Å; P292-G312 VanDerWaalsContact CA-O 3.27Å; P292-G312 WeakPolarHBondContact CA-O 3.26Å
293C96.3Very high90.9Very high1 Ų167.5 Ų67.51%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-72.1154.9161.8-600000110.1Q281 I282 P310 C311 G312 E314 I316Q281-C293 WeakPolarHBondContact O-CA 3.47Å; I282-C293 HydrophobicContact CG2-CB 4.4Å; C293-P310 WeakPolarHBondContact O-CA 3.06Å; C293-C311 VanDerWaalsContact C-SG 3.58Å; C293-C311 VanDerWaalsContact CB-SG 3.58Å; C293-C311 PolarHBondContact O-N 3.01Å; C293-C311 PolarHBondContact O-SG 3.13Å; C293-C311 VanDerWaalsContact O-SG 3.37Å; C293-G312 PolarHBondContact N-O 2.76Å; C293-E314 PolarHBondContact SG-O 3.19Å; C293-E314 VanDerWaalsContact SG-O 3.42Å; C293-I316 HydrophobicContact CB-CG1 3.89Å
294Y97.1Very high90.8Very high36 Ų3671.9 Ų71.914%0.14134%0.336CS..EExtended strand (participates in β ladder)trans-120.6150.9178.9-69.2-86000111.4W246 I253 Y258 V280 Q281 P292 T308 P310W246-Y294 AromaticContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CE2 4.13Å; W246-Y294 HydrophobicContact CH2-CG 4.12Å; W246-Y294 HydrophobicContact CZ2-CD1 4.28Å; W246-Y294 AromaticContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CE2 4.37Å; W246-Y294 AromaticContact CZ2-CG 3.65Å; W246-Y294 HydrophobicContact CZ2-CG 3.65Å; I253-Y294 HydrophobicContact CD1-CE2 4.2Å; Y258-Y294 HydrophobicContact CD1-CD2 4.42Å; Y258-Y294 AromaticContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CE2 4.03Å; Y258-Y294 AromaticContact CZ-CE2 3.86Å; V280-Y294 WeakPolarHBondContact CA-O 3.46Å; Q281-Y294 PolarHBondContact N-O 3.06Å; Q281-Y294 PolarHBondContact O-N 2.77Å; Q281-Y294 PolarHBondContact OE1-O 3Å; P292-Y294 HydrophobicContact CG-CE2 4.12Å; P292-Y294 WeakPolarHBondContact O-CD2 3.35Å; P292-Y294 WeakPolarHBondContact O-CE2 3.49Å; Y294-T308 HydrophobicContact CD1-CG2 3.68Å; Y294-T308 HydrophobicContact CG-CG2 4.18Å; Y294-P310 HydrophobicContact CD1-CB 4.18Å; Y294-P310 HydrophobicContact CE1-CB 3.93Å
295I97.5Very high90.8Very high1 Ų170.2 Ų70.21%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-116.7132.2165.5-53.4165.7000106.6T279 V280 T308 S309 C311 L328 L330 L345T279-I295 WeakPolarHBondContact O-CA 3.5Å; V280-I295 HydrophobicContact CG2-CG1 4.34Å; I295-T308 WeakPolarHBondContact O-CA 3.25Å; I295-S309 PolarHBondContact N-O 3.13Å; I295-S309 PolarHBondContact O-N 3.35Å; I295-C311 HydrophobicContact CD1-CB 3.52Å; I295-C311 HydrophobicContact CG1-CB 3.73Å; I295-L328 HydrophobicContact CG2-CD1 4.17Å; I295-L330 HydrophobicContact CD1-CD1 3.4Å; I295-L330 VanDerWaalsContact CD1-CD1 3.4Å; I295-L330 HydrophobicContact CD1-CD2 4.46Å; I295-L330 HydrophobicContact CD1-CG 4.44Å; I295-L330 HydrophobicContact CG1-CD1 4.25Å; I295-L345 HydrophobicContact CB-CD1 4.45Å; I295-L345 HydrophobicContact CG2-CD1 4.28Å; I295-L345 HydrophobicContact CG2-CD2 3.95Å; I295-L345 WeakPolarHBondContact O-CD1 3.47Å
296T97.2Very high91Very high0 Ų067.5 Ų67.50%032%0.323CS..EExtended strand (participates in β ladder)trans-120.5130.9174.7-57.30000110.5W246 Y278 T279 Q281 W298 P305 L307 T308W246-T296 PolarHBondContact NE1-OG1 2.73Å; Y278-T296 WeakPolarHBondContact CA-O 3.47Å; T279-T296 PolarHBondContact N-O 3.42Å; T279-T296 PolarHBondContact O-N 3.36Å; Q281-T296 PolarHBondContact NE2-OG1 2.95Å; Q281-T296 PolarHBondContact OE1-OG1 3.32Å; T296-W298 HydrophobicContact CG2-CD2 4.04Å; T296-W298 VanDerWaalsContact CG2-CE2 3.43Å; T296-W298 HydrophobicContact CG2-CG 4.24Å; T296-W298 HydrophobicContact CG2-CZ2 3.81Å; T296-W298 VanDerWaalsContact CG2-NE1 3.31Å; T296-P305 HydrophobicContact CG2-CB 4.2Å; T296-L307 CarbonylContact C-O 3.57Å; T296-L307 VanDerWaalsContact CA-O 3.32Å; T296-L307 WeakPolarHBondContact CA-O 3.26Å; T296-T308 VanDerWaalsContact CG2-OG1 3.29Å; T296-T308 WeakPolarHBondContact CG2-OG1 3.32Å; T296-T308 PolarHBondContact OG1-OG1 2.9Å
297K96.1Very high91.7Very high9 Ų960.7 Ų60.74%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-94.1127.3167.5178.3-172.7179.9-172.10108.1Y278 M306 L307 F343 L345Y278-K297 HydrophobicContact CD1-CB 4.17Å; Y278-K297 HydrophobicContact CD1-CG 4.4Å; Y278-K297 HydrophobicContact CE1-CB 3.9Å; Y278-K297 HydrophobicContact CE1-CD 4.31Å; Y278-K297 HydrophobicContact CE1-CG 3.75Å; K297-M306 HydrophobicContact CD-SD 4.43Å; K297-M306 HydrophobicContact CG-CB 4.47Å; K297-M306 HydrophobicContact CG-SD 4.31Å; K297-M306 WeakPolarHBondContact O-CA 3.45Å; K297-M306 WeakPolarHBondContact O-CB 3.3Å; K297-M306 PolarHBondContact O-N 2.83Å; K297-L307 HydrophobicContact CB-CB 4.36Å; K297-L307 PolarHBondContact N-O 2.82Å; K297-L307 PolarHBondContact O-N 2.88Å; K297-L307 VanDerWaalsContact O-N 3.15Å; K297-F343 PolarHBondContact NZ-O 3.3Å; K297-L345 HydrophobicContact CB-CD1 4.16Å; K297-L345 HydrophobicContact CB-CD2 4.32Å; K297-L345 HydrophobicContact CB-CG 4.43Å
298W95.3Very high92.3Very high2 Ų257.6 Ų57.61%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-117.5155.1177.9-51.276.7000109.8L244 W246 Y260 R276 L277 T279 T296 G300 L304 P305L244-W298 HydrophobicContact CB-CH2 3.95Å; L244-W298 HydrophobicContact CB-CZ2 4.37Å; L244-W298 HydrophobicContact CB-CZ3 4.11Å; L244-W298 HydrophobicContact CD1-CD2 4.18Å; L244-W298 HydrophobicContact CD1-CE3 4.36Å; L244-W298 HydrophobicContact CD1-CZ2 4.35Å; L244-W298 HydrophobicContact CD2-CE3 4.47Å; W246-W298 HydrophobicContact CB-CH2 3.9Å; W246-W298 HydrophobicContact CB-CZ2 3.89Å; W246-W298 HydrophobicContact CG-CZ2 4.38Å; Y260-W298 HydrophobicContact CE1-CZ2 4.36Å; R276-W298 WeakPolarHBondContact CA-O 3.25Å; L277-W298 HydrophobicContact CB-CB 4.1Å; L277-W298 PolarHBondContact N-O 2.9Å; L277-W298 VanDerWaalsContact N-O 3.11Å; L277-W298 PolarHBondContact O-N 2.86Å; T279-W298 PolarHBondContact OG1-NE1 3.08Å; T296-W298 HydrophobicContact CG2-CD2 4.04Å; T296-W298 VanDerWaalsContact CG2-CE2 3.43Å; T296-W298 HydrophobicContact CG2-CG 4.24Å; T296-W298 HydrophobicContact CG2-CZ2 3.81Å; T296-W298 VanDerWaalsContact CG2-NE1 3.31Å; W298-G300 PolarHBondContact O-N 3.41Å; W298-L304 CarbonylContact C-O 3.52Å; W298-L304 WeakPolarHBondContact CA-O 3.47Å; W298-P305 HydrophobicContact CD2-CB 4.17Å; W298-P305 HydrophobicContact CE3-CB 3.69Å; W298-P305 HydrophobicContact CE3-CG 4.23Å; W298-P305 HydrophobicContact CH2-CB 4.13Å; W298-P305 HydrophobicContact CZ3-CB 3.67Å; W298-P305 HydrophobicContact CZ3-CG 3.89Å
299D92.9Very high93Very high28 Ų2848.5 Ų48.515%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-67.6126.6163.7-170.4-81.4000109.1R276 K301 I302 L303 L304 M306R276-D299 IonicContact CZ-OD2 2.9Å; R276-D299 IonicContact NH1-OD2 2.66Å; R276-D299 PolarHBondContact NH1-OD2 2.9Å; D299-K301 VanDerWaalsContact C-N 3.29Å; D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 PolarHBondContact OD1-N 3.5Å; D299-I302 HydrophobicContact CB-CB 4.27Å; D299-I302 PolarHBondContact OD1-N 3.44Å; D299-L303 WeakPolarHBondContact O-CA 3.4Å; D299-L303 PolarHBondContact O-N 2.77Å; D299-L304 PolarHBondContact N-O 3.43Å; D299-M306 HydrophobicContact CB-CG 4.4Å; D299-M306 HydrophobicContact CB-SD 4.29Å
300G89.8Confident93.6Very high0 Ų043.3 Ų43.30%024%0.237CC..THydrogen-bonded Turntrans-77.5-8.6-174.400000115.1I275 W298I275-G300 WeakPolarHBondContact O-CA 3.24Å; I275-G300 PolarHBondContact O-N 2.85Å; W298-G300 PolarHBondContact O-N 3.41Å
301K87.6Confident93.9Very high110 Ų11041.2 Ų41.248%0.47822%0.223SC..THydrogen-bonded Turntrans-107.3-48.1176.9-65.7178.9-175169.20111.1D273 D299D273-K301 WeakPolarHBondContact O-CE 3.42Å; D273-K301 PolarHBondContact O-NZ 3.42Å; D299-K301 VanDerWaalsContact C-N 3.29Å; D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 PolarHBondContact OD1-N 3.5Å
302I89.3Confident94Very high118 Ų11840.8 Ų40.861%0.60523%0.225SC*.THydrogen-bonded Turntrans-84.5-22-176.9-46.1175000111D299 L304D299-I302 HydrophobicContact CB-CB 4.27Å; D299-I302 PolarHBondContact OD1-N 3.44Å; I302-L304 HydrophobicContact CG2-CD1 3.72Å; I302-L304 HydrophobicContact CG2-CG 3.82Å; I302-L304 PolarHBondContact O-N 3.1Å
303L91.7Very high94Very high18 Ų1842.9 Ų42.99%0.09424%0.238CC..  trans64.223.7178.6-53168.1000113.6V234 T242 L244 L277 D299V234-L303 HydrophobicContact CB-CD1 4.04Å; V234-L303 HydrophobicContact CG1-CD1 3.81Å; V234-L303 HydrophobicContact CG1-CD2 4.49Å; V234-L303 HydrophobicContact CG2-CD1 3.93Å; V234-L303 HydrophobicContact CG2-CD2 4.33Å; T242-L303 HydrophobicContact CG2-CD1 3.5Å; T242-L303 VanDerWaalsContact CG2-CD1 3.5Å; L244-L303 HydrophobicContact CD2-CB 3.86Å; L244-L303 HydrophobicContact CD2-CD2 4.46Å; L277-L303 HydrophobicContact CD2-CD2 4.41Å; D299-L303 WeakPolarHBondContact O-CA 3.4Å; D299-L303 PolarHBondContact O-N 2.77Å
304L91.9Very high93.9Very high108 Ų10844 Ų4457%0.56524%0.243SC*.  trans-87.3141.4171.9-68175.9000111W298 D299 I302 M306W298-L304 CarbonylContact C-O 3.52Å; W298-L304 WeakPolarHBondContact CA-O 3.47Å; D299-L304 PolarHBondContact N-O 3.43Å; I302-L304 HydrophobicContact CG2-CD1 3.72Å; I302-L304 HydrophobicContact CG2-CG 3.82Å; I302-L304 PolarHBondContact O-N 3.1Å; L304-M306 PolarHBondContact O-N 3.03Å
305P93.3Very high93.9Very high45 Ų4543.9 Ų43.929%0.29225%0.246SC..EExtended strand (participates in β ladder)trans-71.2129.4177.427.9-30.5000110T249 T296 W298T249-P305 HydrophobicContact CG2-CB 3.47Å; T249-P305 VanDerWaalsContact CG2-CB 3.47Å; T249-P305 HydrophobicContact CG2-CG 3.18Å; T296-P305 HydrophobicContact CG2-CB 4.2Å; W298-P305 HydrophobicContact CD2-CB 4.17Å; W298-P305 HydrophobicContact CE3-CB 3.69Å; W298-P305 HydrophobicContact CE3-CG 4.23Å; W298-P305 HydrophobicContact CH2-CB 4.13Å; W298-P305 HydrophobicContact CZ3-CB 3.67Å; W298-P305 HydrophobicContact CZ3-CG 3.89Å
306M93.2Very high93.9Very high94 Ų9444.1 Ų44.146%0.46325%0.247SC..EExtended strand (participates in β ladder)trans-99.6-45.2-179.6-56.8179.478.600111.8K297 D299 L304K297-M306 HydrophobicContact CD-SD 4.43Å; K297-M306 HydrophobicContact CG-CB 4.47Å; K297-M306 HydrophobicContact CG-SD 4.31Å; K297-M306 WeakPolarHBondContact O-CA 3.45Å; K297-M306 WeakPolarHBondContact O-CB 3.3Å; K297-M306 PolarHBondContact O-N 2.83Å; D299-M306 HydrophobicContact CB-CG 4.4Å; D299-M306 HydrophobicContact CB-SD 4.29Å; L304-M306 PolarHBondContact O-N 3.03Å
307L94.2Very high93.9Very high70 Ų7045.7 Ų45.737%0.36626%0.258SS..EExtended strand (participates in β ladder)trans-152.3130.3-174.8-177.463.5000110.4T296 K297 S344 L345T296-L307 CarbonylContact C-O 3.57Å; T296-L307 VanDerWaalsContact CA-O 3.32Å; T296-L307 WeakPolarHBondContact CA-O 3.26Å; K297-L307 HydrophobicContact CB-CB 4.36Å; K297-L307 PolarHBondContact N-O 2.82Å; K297-L307 PolarHBondContact O-N 2.88Å; K297-L307 VanDerWaalsContact O-N 3.15Å; L307-S344 WeakPolarHBondContact CD2-O 3.48Å; L307-L345 HydrophobicContact CB-CD1 4.3Å; L307-L345 HydrophobicContact CD2-CB 4.25Å; L307-L345 HydrophobicContact CD2-CD1 4.1Å; L307-L345 HydrophobicContact CD2-CG 3.97Å; L307-L345 HydrophobicContact CG-CD1 3.97Å; L307-L345 HydrophobicContact CG-CG 4.39Å; L307-L345 WeakPolarHBondContact O-CD1 3.38Å
308T95.8Very high94Very high29 Ų2945.7 Ų45.718%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-117.8132171-65.50000109.2W246 M250 Y294 I295 T296W246-T308 HydrophobicContact CZ2-CG2 4.09Å; W246-T308 PolarHBondContact NE1-OG1 3.41Å; M250-T308 HydrophobicContact CE-CG2 3.58Å; Y294-T308 HydrophobicContact CD1-CG2 3.68Å; Y294-T308 HydrophobicContact CG-CG2 4.18Å; I295-T308 WeakPolarHBondContact O-CA 3.25Å; T296-T308 VanDerWaalsContact CG2-OG1 3.29Å; T296-T308 WeakPolarHBondContact CG2-OG1 3.32Å; T296-T308 PolarHBondContact OG1-OG1 2.9Å
309S95.4Very high94.1Very high33 Ų3345.9 Ų45.923%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-134.1136.6-179.7-176.50000111.2I295I295-S309 PolarHBondContact N-O 3.13Å; I295-S309 PolarHBondContact O-N 3.35Å
310P96Very high94.3Very high79 Ų7945.1 Ų45.151%0.51326%0.258SS..EExtended strand (participates in β ladder)trans-70.9133.317429.7-33.4000110.5P292 C293 Y294P292-P310 HydrophobicContact CB-CB 4.23Å; C293-P310 WeakPolarHBondContact O-CA 3.06Å; Y294-P310 HydrophobicContact CD1-CB 4.18Å; Y294-P310 HydrophobicContact CE1-CB 3.93Å
311C94.6Very high94.7Very high9 Ų946.4 Ų46.46%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-108.8-5.6-175.663.30000115C293 I295 L330 K347C293-C311 VanDerWaalsContact C-SG 3.58Å; C293-C311 VanDerWaalsContact CB-SG 3.58Å; C293-C311 PolarHBondContact O-N 3.01Å; C293-C311 PolarHBondContact O-SG 3.13Å; C293-C311 VanDerWaalsContact O-SG 3.37Å; I295-C311 HydrophobicContact CD1-CB 3.52Å; I295-C311 HydrophobicContact CG1-CB 3.73Å; C311-L330 HydrophobicContact CB-CD1 4.31Å; C311-K347 PolarHBondContact O-NZ 2.53Å
312G93.7Very high95Very high28 Ų2841.3 Ų41.329%0.28924%0.244SC..EExtended strand (participates in β ladder)trans135.6172.3176.200000111.7P292 C293P292-G312 CarbonylContact C-O 3.55Å; P292-G312 VanDerWaalsContact CA-O 3.27Å; P292-G312 WeakPolarHBondContact CA-O 3.26Å; C293-G312 PolarHBondContact N-O 2.76Å
313T94.6Very high94.9Very high82 Ų8240.3 Ų40.350%0.50324%0.24SC..SBendtrans-89.1-12.9178.353.40000113.4P290P290-T313 WeakPolarHBondContact O-CG2 3.3Å
314E95Very high94.7Very high24 Ų2441.1 Ų41.111%0.11225%0.247CC..SBendtrans-67.9131.6172.1-60.2-179.6109.600109.6C293 I316 T332 S336 Y350 H352C293-E314 PolarHBondContact SG-O 3.19Å; C293-E314 VanDerWaalsContact SG-O 3.42Å; E314-I316 PolarHBondContact O-N 2.86Å; E314-T332 HydrophobicContact CB-CG2 3.95Å; E314-S336 VanDerWaalsContact CD-OG 3.28Å; E314-S336 PolarHBondContact OE1-OG 2.72Å; E314-S336 VanDerWaalsContact OE2-CB 3.27Å; E314-S336 WeakPolarHBondContact OE2-CB 3.49Å; E314-S336 PolarHBondContact OE2-OG 2.74Å; E314-S336 VanDerWaalsContact OE2-OG 3.13Å; E314-Y350 PolarHBondContact OE2-OH 3.49Å; E314-H352 IonicContact OE1-CE1 3.75Å; E314-H352 PolarHBondContact OE1-CE1 2.9Å; E314-H352 IonicContact OE1-ND1 2.69Å; E314-H352 PolarHBondContact OE1-ND1 2.96Å
315V96.4Very high94.7Very high34 Ų3436.1 Ų36.121%0.20622%0.222CC..PPolyproline II helixtrans-66.7122.6179-178.90000109.2I282 T332 V333I282-V315 HydrophobicContact CB-CG1 4.4Å; I282-V315 HydrophobicContact CD1-CG1 3.88Å; I282-V315 HydrophobicContact CG2-CG1 4.39Å; V315-T332 CarbonylContact O-C 3.57Å; V315-T332 VanDerWaalsContact O-CA 3.3Å; V315-T332 WeakPolarHBondContact O-CA 3.44Å; V315-T332 WeakPolarHBondContact O-CB 3.36Å; V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CB-CG2 3.95Å; V315-V333 HydrophobicContact CG1-CG2 3.93Å; V315-V333 PolarHBondContact O-N 3.23Å
316I97.7Very high94.6Very high7 Ų738 Ų384%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-71.9137.8176.1-49.8-55000109.2M261 V280 I282 C293 E314 L330 G331 T332M261-I316 HydrophobicContact CE-CB 3.79Å; M261-I316 HydrophobicContact CE-CG2 3.44Å; M261-I316 VanDerWaalsContact CE-CG2 3.44Å; V280-I316 HydrophobicContact CG1-CB 3.8Å; V280-I316 HydrophobicContact CG1-CG1 3.94Å; V280-I316 HydrophobicContact CG1-CG2 3.99Å; I282-I316 HydrophobicContact CG2-CB 4.33Å; C293-I316 HydrophobicContact CB-CG1 3.89Å; E314-I316 PolarHBondContact O-N 2.86Å; I316-L330 HydrophobicContact CD1-CD1 4.49Å; I316-L330 HydrophobicContact CG2-CB 4.4Å; I316-L330 HydrophobicContact CG2-CD2 4.11Å; I316-G331 WeakPolarHBondContact CA-O 3.35Å; I316-G331 WeakPolarHBondContact CG2-O 3.32Å; I316-T332 HydrophobicContact CD1-CG2 3.96Å
317S97.6Very high94.7Very high32 Ų3234.1 Ų34.122%0.22420%0.203CC..EExtended strand (participates in β ladder)trans-110.8-28.7-179.251.10000113.8G331 T332 V359S317-G331 PolarHBondContact N-O 2.95Å; S317-G331 PolarHBondContact OG-O 2.84Å; S317-G331 VanDerWaalsContact OG-O 3.13Å; S317-T332 VanDerWaalsContact OG-C 3.28Å; S317-T332 PolarHBondContact OG-N 2.83Å; S317-T332 PolarHBondContact OG-O 2.67Å; S317-V359 VanDerWaalsContact CB-O 3.26Å; S317-V359 WeakPolarHBondContact CB-O 3.38Å; S317-V359 PolarHBondContact OG-O 2.76Å
318C97.6Very high94.8Very high10 Ų1030.8 Ų30.87%0.06819%0.186CC..EExtended strand (participates in β ladder)trans-151.9153.3-178.658.20000112L330 G331C318-L330 WeakPolarHBondContact O-CA 3.17Å; C318-G331 PolarHBondContact O-N 2.77Å
319L98.3Very high95Very high5 Ų529.4 Ų29.43%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-132.9134.4179.4172.670.1000110A262 R264 V280 L328 G329 L330A262-L319 HydrophobicContact CB-CB 3.68Å; A262-L319 HydrophobicContact CB-CD2 4.11Å; R264-L319 HydrophobicContact CB-CD2 4Å; R264-L319 HydrophobicContact CB-CG 4.44Å; R264-L319 HydrophobicContact CG-CB 4.5Å; R264-L319 HydrophobicContact CG-CD2 3.74Å; R264-L319 HydrophobicContact CG-CG 3.86Å; R264-L319 PolarHBondContact NE-O 3.34Å; V280-L319 HydrophobicContact CG2-CB 4.38Å; V280-L319 HydrophobicContact CG2-CD1 4.28Å; V280-L319 HydrophobicContact CG2-CD2 4.08Å; V280-L319 HydrophobicContact CG2-CG 4.48Å; L319-L328 HydrophobicContact CD1-CB 4.46Å; L319-G329 WeakPolarHBondContact CA-O 3.32Å; L319-L330 HydrophobicContact CB-CD2 4.4Å; L319-L330 HydrophobicContact CD1-CD2 3.47Å; L319-L330 VanDerWaalsContact CD1-CD2 3.47Å
320A97.7Very high95.1Very high12 Ų1228 Ų2810%0.09917%0.167CC..EExtended strand (participates in β ladder)trans-132.6150168.800000111.9L328 G329 V362 F364A320-L328 CarbonylContact O-C 3.53Å; A320-L328 WeakPolarHBondContact O-CA 3.38Å; A320-G329 PolarHBondContact N-O 2.95Å; A320-G329 PolarHBondContact O-N 3.24Å; A320-V362 HydrophobicContact CB-CG2 3.86Å; A320-V362 VanDerWaalsContact CB-O 3.27Å; A320-V362 WeakPolarHBondContact CB-O 3.43Å; A320-F364 HydrophobicContact CB-CD2 4.44Å
321V96.5Very high95.2Very high28 Ų2824.2 Ų24.217%0.1714%0.143CC..EExtended strand (participates in β ladder)trans-112.1137.1173.1-176.40000107.5R264 Y278 L328R264-V321 HydrophobicContact CB-CG2 3.42Å; R264-V321 VanDerWaalsContact CB-CG2 3.42Å; R264-V321 HydrophobicContact CG-CG2 4.18Å; Y278-V321 HydrophobicContact CD2-CG2 4Å; V321-L328 HydrophobicContact CB-CD2 4.4Å; V321-L328 HydrophobicContact CG1-CD2 4.32Å; V321-L328 HydrophobicContact CG2-CD2 3.73Å
322S94.1Very high95.4Very high3 Ų324 Ų242%0.02114%0.141CC..  trans-67.9150173.765.90000110.7S324 G325 R326 F327 F364S322-S324 PolarHBondContact O-N 2.91Å; S322-G325 WeakPolarHBondContact O-CA 3.45Å; S322-G325 PolarHBondContact O-N 3.35Å; S322-G325 PolarHBondContact OG-N 3.31Å; S322-R326 PolarHBondContact OG-N 3.39Å; S322-R326 VanDerWaalsContact OG-N 3.14Å; S322-F327 PolarHBondContact N-O 2.93Å; S322-F327 PolarHBondContact OG-N 3.34Å; S322-F327 VanDerWaalsContact OG-N 3.09Å; S322-F327 PolarHBondContact OG-O 3.3Å; S322-F364 VanDerWaalsContact CA-CD2 3.49Å; S322-F364 VanDerWaalsContact N-CD2 3.34Å
323D88.7Confident95.5Very high97 Ų9724.9 Ų24.952%0.51914%0.141SC..THydrogen-bonded Turntrans-56-30.7178.5-39.1-35.3000113.8G325 P366D323-G325 PolarHBondContact O-N 2.88Å; D323-P366 WeakPolarHBondContact OD2-CA 3.35Å; D323-P366 WeakPolarHBondContact OD2-CB 3.04Å
324S87Confident95.5Very high35 Ų3524.8 Ų24.825%0.24514%0.137CC..THydrogen-bonded Turntrans-76.7-4.2175.671.80000113.7S322 R326S322-S324 PolarHBondContact O-N 2.91Å; S324-R326 PolarHBondContact O-N 2.98Å; S324-R326 WeakPolarHBondContact OG-CG 3.39Å; S324-R326 PolarHBondContact OG-NE 2.94Å; S324-R326 VanDerWaalsContact OG-NE 3.12Å
325G90.4Very high95.6Very high3 Ų323.7 Ų23.73%0.03113%0.132CC..SBendtrans67.69.4-175.800000116N267 S322 D323 A342N267-G325 WeakPolarHBondContact O-CA 3.05Å; S322-G325 WeakPolarHBondContact O-CA 3.45Å; S322-G325 PolarHBondContact O-N 3.35Å; S322-G325 PolarHBondContact OG-N 3.31Å; D323-G325 PolarHBondContact O-N 2.88Å; G325-A342 WeakPolarHBondContact O-CB 3.27Å
326R91.6Very high95.6Very high84 Ų8422 Ų2232%0.31712%0.122SC..  trans-91.1-24.6-171.8-64.9-171.5-64.3175.3-1.4114.1E269 S322 S324 A342E269-R326 HydrophobicContact CB-CG 4.49Å; E269-R326 HydrophobicContact CG-CG 4.26Å; E269-R326 WeakPolarHBondContact OE1-CD 3.43Å; E269-R326 WeakPolarHBondContact OE2-CG 3.13Å; S322-R326 PolarHBondContact OG-N 3.39Å; S322-R326 VanDerWaalsContact OG-N 3.14Å; S324-R326 PolarHBondContact O-N 2.98Å; S324-R326 WeakPolarHBondContact OG-CG 3.39Å; S324-R326 PolarHBondContact OG-NE 2.94Å; S324-R326 VanDerWaalsContact OG-NE 3.12Å; R326-A342 VanDerWaalsContact C-CB 3.5Å; R326-A342 WeakPolarHBondContact O-CB 3.41Å; R326-A342 PolarHBondContact O-N 2.62Å
327F95.4Very high95.6Very high13 Ų1321.7 Ų21.76%0.05712%0.12CC..EExtended strand (participates in β ladder)trans-128.2144.6-174-56.5-71.9000111.8S322 V339 H340 L348 F364 K379 A380S322-F327 PolarHBondContact N-O 2.93Å; S322-F327 PolarHBondContact OG-N 3.34Å; S322-F327 VanDerWaalsContact OG-N 3.09Å; S322-F327 PolarHBondContact OG-O 3.3Å; F327-V339 HydrophobicContact CB-CG1 4.07Å; F327-V339 HydrophobicContact CD1-CG1 4.2Å; F327-V339 HydrophobicContact CG-CG1 4.42Å; F327-H340 VanDerWaalsContact CA-O 3.32Å; F327-H340 WeakPolarHBondContact CA-O 3.48Å; F327-L348 HydrophobicContact CD1-CD1 4.01Å; F327-L348 HydrophobicContact CE1-CD1 3.68Å; F327-F364 HydrophobicContact CB-CE1 3.77Å; F327-F364 HydrophobicContact CB-CE2 4.25Å; F327-F364 HydrophobicContact CB-CZ 3.52Å; F327-K379 WeakPolarHBondContact CE2-O 3.35Å; F327-K379 HydrophobicContact CZ-CB 3.98Å; F327-A380 HydrophobicContact CD2-CB 3.73Å; F327-A380 HydrophobicContact CE2-CB 3.91Å; F327-A380 HydrophobicContact CG-CB 4.09Å; F327-A380 HydrophobicContact CZ-CB 4.42Å
328L97.8Very high95.6Very high0 Ų020.5 Ų20.50%011%0.113CC..EExtended strand (participates in β ladder)trans-112.6130.3170.7-53.6176.1000108.9Y278 I295 L319 A320 V321 V339 H340 A342 L345Y278-L328 HydrophobicContact CD1-CD1 3.6Å; Y278-L328 HydrophobicContact CD1-CD2 3.94Å; Y278-L328 HydrophobicContact CD1-CG 4.38Å; Y278-L328 HydrophobicContact CD2-CD2 3.82Å; Y278-L328 HydrophobicContact CE1-CD1 3.89Å; Y278-L328 HydrophobicContact CE1-CD2 4.16Å; Y278-L328 HydrophobicContact CE1-CG 4.49Å; Y278-L328 HydrophobicContact CE2-CD2 4.05Å; Y278-L328 HydrophobicContact CG-CD1 4.17Å; Y278-L328 HydrophobicContact CG-CD2 3.75Å; I295-L328 HydrophobicContact CG2-CD1 4.17Å; L319-L328 HydrophobicContact CD1-CB 4.46Å; A320-L328 CarbonylContact O-C 3.53Å; A320-L328 WeakPolarHBondContact O-CA 3.38Å; V321-L328 HydrophobicContact CB-CD2 4.4Å; V321-L328 HydrophobicContact CG1-CD2 4.32Å; V321-L328 HydrophobicContact CG2-CD2 3.73Å; L328-V339 CarbonylContact O-C 3.59Å; L328-V339 VanDerWaalsContact O-CA 3.29Å; L328-V339 WeakPolarHBondContact O-CA 3.45Å; L328-H340 HydrophobicContact CB-CB 4.35Å; L328-H340 PolarHBondContact N-O 3.03Å; L328-H340 PolarHBondContact O-N 3.47Å; L328-A342 HydrophobicContact CD1-CB 4.4Å; L328-A342 HydrophobicContact CD2-CB 3.91Å; L328-A342 HydrophobicContact CG-CB 3.79Å; L328-L345 HydrophobicContact CD1-CD2 3.6Å
329G98.1Very high95.6Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-104.9134.1174.600000109.6L319 A320 F364L319-G329 WeakPolarHBondContact CA-O 3.32Å; A320-G329 PolarHBondContact N-O 2.95Å; A320-G329 PolarHBondContact O-N 3.24Å; G329-F364 VanDerWaalsContact N-CE2 3.35Å
330L98.4Very high95.6Very high2 Ų220 Ų201%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-127.5137.6177.6-55.9171.1000109.9V280 I295 C311 I316 C318 L319 V337 A338 H340V280-L330 HydrophobicContact CG2-CD2 4.16Å; I295-L330 HydrophobicContact CD1-CD1 3.4Å; I295-L330 VanDerWaalsContact CD1-CD1 3.4Å; I295-L330 HydrophobicContact CD1-CD2 4.46Å; I295-L330 HydrophobicContact CD1-CG 4.44Å; I295-L330 HydrophobicContact CG1-CD1 4.25Å; C311-L330 HydrophobicContact CB-CD1 4.31Å; I316-L330 HydrophobicContact CD1-CD1 4.49Å; I316-L330 HydrophobicContact CG2-CB 4.4Å; I316-L330 HydrophobicContact CG2-CD2 4.11Å; C318-L330 WeakPolarHBondContact O-CA 3.17Å; L319-L330 HydrophobicContact CB-CD2 4.4Å; L319-L330 HydrophobicContact CD1-CD2 3.47Å; L319-L330 VanDerWaalsContact CD1-CD2 3.47Å; L330-V337 WeakPolarHBondContact O-CA 3.48Å; L330-A338 HydrophobicContact CB-CB 4.38Å; L330-A338 PolarHBondContact N-O 3.22Å; L330-A338 PolarHBondContact O-N 2.66Å; L330-H340 VanDerWaalsContact CD1-CE1 3.45Å; L330-H340 WeakPolarHBondContact CD1-CE1 3.2Å
331G98.1Very high95.4Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-110.715416400000110.5I316 S317 C318I316-G331 WeakPolarHBondContact CA-O 3.35Å; I316-G331 WeakPolarHBondContact CG2-O 3.32Å; S317-G331 PolarHBondContact N-O 2.95Å; S317-G331 PolarHBondContact OG-O 2.84Å; S317-G331 VanDerWaalsContact OG-O 3.13Å; C318-G331 PolarHBondContact O-N 2.77Å
332T98Very high95.3Very high6 Ų620.1 Ų20.14%0.03711%0.106CC..EExtended strand (participates in β ladder)trans-118.2160.4176.779.70000112.2E314 V315 I316 S317 N334 G335 S336 V359E314-T332 HydrophobicContact CB-CG2 3.95Å; V315-T332 CarbonylContact O-C 3.57Å; V315-T332 VanDerWaalsContact O-CA 3.3Å; V315-T332 WeakPolarHBondContact O-CA 3.44Å; V315-T332 WeakPolarHBondContact O-CB 3.36Å; I316-T332 HydrophobicContact CD1-CG2 3.96Å; S317-T332 VanDerWaalsContact OG-C 3.28Å; S317-T332 PolarHBondContact OG-N 2.83Å; S317-T332 PolarHBondContact OG-O 2.67Å; T332-N334 PolarHBondContact O-N 3.32Å; T332-N334 PolarHBondContact OG1-N 2.76Å; T332-G335 PolarHBondContact O-N 3.24Å; T332-G335 PolarHBondContact OG1-N 2.79Å; T332-S336 PolarHBondContact N-O 3.4Å; T332-S336 WeakPolarHBondContact OG1-CB 3.26Å; T332-S336 PolarHBondContact OG1-N 2.76Å; T332-V359 PolarHBondContact O-N 2.87Å
333V96.3Very high95.3Very high46 Ų4624.6 Ų24.628%0.27913%0.126SC..THydrogen-bonded Turntrans-60.1-26.6173177.30000112.3V315 G335 V358V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CB-CG2 3.95Å; V315-V333 HydrophobicContact CG1-CG2 3.93Å; V315-V333 PolarHBondContact O-N 3.23Å; V333-G335 VanDerWaalsContact C-N 3.33Å; V333-V358 HydrophobicContact CG2-CG2 4.41Å; V333-V358 WeakPolarHBondContact O-CA 3.49Å; V333-V358 PolarHBondContact O-N 2.87Å
334N95.1Very high95.5Very high80 Ų8022 Ų2243%0.42812%0.115SC..THydrogen-bonded Turntrans-88.20.6178.7-65.84.2000113.1T332T332-N334 PolarHBondContact O-N 3.32Å; T332-N334 PolarHBondContact OG1-N 2.76Å
335G96.4Very high96Very high0 Ų020.5 Ų20.50%010%0.104CC..SBendtrans90.37.1179.100000115.1T332 V333 S354 H355 I357T332-G335 PolarHBondContact O-N 3.24Å; T332-G335 PolarHBondContact OG1-N 2.79Å; V333-G335 VanDerWaalsContact C-N 3.33Å; G335-S354 PolarHBondContact O-N 3.11Å; G335-H355 WeakPolarHBondContact CA-O 3.48Å; G335-H355 PolarHBondContact O-N 2.97Å; G335-I357 WeakPolarHBondContact CA-O 3.13Å; G335-I357 PolarHBondContact N-O 3.14Å
336S97.5Very high96.1Very high0 Ų026 Ų260%013%0.13CC..  trans-77.9147.2175.6-58.80000110.8E314 T332 V351 H352 E353E314-S336 VanDerWaalsContact CD-OG 3.28Å; E314-S336 PolarHBondContact OE1-OG 2.72Å; E314-S336 VanDerWaalsContact OE2-CB 3.27Å; E314-S336 WeakPolarHBondContact OE2-CB 3.49Å; E314-S336 PolarHBondContact OE2-OG 2.74Å; E314-S336 VanDerWaalsContact OE2-OG 3.13Å; T332-S336 PolarHBondContact N-O 3.4Å; T332-S336 WeakPolarHBondContact OG1-CB 3.26Å; T332-S336 PolarHBondContact OG1-N 2.76Å; S336-V351 WeakPolarHBondContact CA-O 3.41Å; S336-H352 WeakPolarHBondContact OG-CA 3.43Å; S336-H352 PolarHBondContact OG-ND1 3.37Å; S336-E353 PolarHBondContact OG-N 2.76Å
337V97.9Very high96.3Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-127.4133.5179.4179.60000109.6L330 Y350 V351 V359 L382L330-V337 WeakPolarHBondContact O-CA 3.48Å; V337-Y350 WeakPolarHBondContact O-CA 3.35Å; V337-V351 PolarHBondContact N-O 3.02Å; V337-V351 PolarHBondContact O-N 2.99Å; V337-V359 HydrophobicContact CG2-CG2 3.96Å; V337-L382 HydrophobicContact CG1-CD2 3.71Å
338A97.3Very high96.2Very high7 Ų728.5 Ų28.56%0.05815%0.145CC..EExtended strand (participates in β ladder)trans-132.4146.7-179.700000112.3L330 Y349 Y350L330-A338 HydrophobicContact CB-CB 4.38Å; L330-A338 PolarHBondContact N-O 3.22Å; L330-A338 PolarHBondContact O-N 2.66Å; A338-Y349 CarbonylContact C-O 3.54Å; A338-Y349 VanDerWaalsContact CA-O 3.24Å; A338-Y349 WeakPolarHBondContact CA-O 3.11Å; A338-Y350 HydrophobicContact CB-CD2 4.05Å
339V97.4Very high96Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-120.1130168.4-173.90000108.9F327 L328 L348 Y349 F364 L382 V396F327-V339 HydrophobicContact CB-CG1 4.07Å; F327-V339 HydrophobicContact CD1-CG1 4.2Å; F327-V339 HydrophobicContact CG-CG1 4.42Å; L328-V339 CarbonylContact O-C 3.59Å; L328-V339 VanDerWaalsContact O-CA 3.29Å; L328-V339 WeakPolarHBondContact O-CA 3.45Å; V339-L348 PolarHBondContact O-N 3.4Å; V339-Y349 HydrophobicContact CG2-CD1 4.21Å; V339-Y349 HydrophobicContact CG2-CG 4.44Å; V339-Y349 PolarHBondContact N-O 2.87Å; V339-Y349 PolarHBondContact O-N 2.93Å; V339-Y349 VanDerWaalsContact O-N 3.08Å; V339-F364 HydrophobicContact CG1-CE1 4.11Å; V339-F364 HydrophobicContact CG1-CZ 4.06Å; V339-L382 HydrophobicContact CG2-CB 4.3Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; V339-V396 HydrophobicContact CB-CG2 4.11Å; V339-V396 HydrophobicContact CG1-CG2 4.17Å; V339-V396 HydrophobicContact CG2-CG2 4.03Å
340H96.8Very high95.9Very high4 Ų433.9 Ų33.92%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-117154.5176.7-62.170.2000110.8F327 L328 L330 L345 Q346 K347F327-H340 VanDerWaalsContact CA-O 3.32Å; F327-H340 WeakPolarHBondContact CA-O 3.48Å; L328-H340 HydrophobicContact CB-CB 4.35Å; L328-H340 PolarHBondContact N-O 3.03Å; L328-H340 PolarHBondContact O-N 3.47Å; L330-H340 VanDerWaalsContact CD1-CE1 3.45Å; L330-H340 WeakPolarHBondContact CD1-CE1 3.2Å; H340-L345 PolarHBondContact CD2-O 2.66Å; H340-Q346 CarbonylContact C-O 3.49Å; H340-Q346 WeakPolarHBondContact CA-O 3.47Å; H340-Q346 WeakPolarHBondContact CB-O 3.46Å; H340-K347 WeakPolarHBondContact CD2-CA 3.32Å; H340-K347 PolarHBondContact CD2-N 2.97Å; H340-K347 WeakPolarHBondContact NE2-CB 3.32Å; H340-K347 VanDerWaalsContact NE2-CE 3.3Å; H340-K347 WeakPolarHBondContact NE2-CE 3.38Å
341I95.1Very high95.8Very high42 Ų4234.3 Ų34.322%0.21517%0.169CC..EExtended strand (participates in β ladder)trans-71.7127.4164.3-61.7172.9000107.7F343 L345 Q346 L348I341-F343 VanDerWaalsContact C-N 3.34Å; I341-F343 HydrophobicContact CG2-CB 4Å; I341-F343 PolarHBondContact O-N 2.77Å; I341-L345 WeakPolarHBondContact O-CA 3.37Å; I341-L345 PolarHBondContact O-N 3.12Å; I341-Q346 PolarHBondContact N-O 2.85Å; I341-L348 HydrophobicContact CD1-CD1 4Å; I341-L348 HydrophobicContact CD1-CD2 3.88Å; I341-L348 HydrophobicContact CD1-CG 4.02Å; I341-L348 HydrophobicContact CG1-CD1 3.29Å; I341-L348 HydrophobicContact CG1-CD2 4.01Å; I341-L348 HydrophobicContact CG1-CG 3.56Å
342A94.8Very high95.7Very high0 Ų039.1 Ų39.10%019%0.191CC..THydrogen-bonded Turntrans-70.7-30.3-178.600000112.9Y278 G325 R326 L328Y278-A342 HydrophobicContact CE1-CB 4.23Å; Y278-A342 VanDerWaalsContact CE1-O 3.26Å; Y278-A342 WeakPolarHBondContact CE1-O 3.4Å; Y278-A342 HydrophobicContact CE2-CB 4.44Å; Y278-A342 WeakPolarHBondContact OH-CB 3.42Å; Y278-A342 PolarHBondContact OH-O 3.26Å; G325-A342 WeakPolarHBondContact O-CB 3.27Å; R326-A342 VanDerWaalsContact C-CB 3.5Å; R326-A342 WeakPolarHBondContact O-CB 3.41Å; R326-A342 PolarHBondContact O-N 2.62Å; L328-A342 HydrophobicContact CD1-CB 4.4Å; L328-A342 HydrophobicContact CD2-CB 3.91Å; L328-A342 HydrophobicContact CG-CB 3.79Å
343F92.9Very high95.5Very high98 Ų9843.6 Ų43.643%0.4321%0.211SC..THydrogen-bonded Turntrans-65.6-52.8176.6174.2-104.5000113D270 K297 I341D270-F343 VanDerWaalsContact CG-CE2 3.48Å; D270-F343 VanDerWaalsContact OD1-CD2 3.28Å; D270-F343 WeakPolarHBondContact OD1-CD2 3.37Å; D270-F343 WeakPolarHBondContact OD1-CE2 3.38Å; D270-F343 WeakPolarHBondContact OD2-CD2 3.46Å; D270-F343 WeakPolarHBondContact OD2-CE2 3.31Å; K297-F343 PolarHBondContact NZ-O 3.3Å; I341-F343 VanDerWaalsContact C-N 3.34Å; I341-F343 HydrophobicContact CG2-CB 4Å; I341-F343 PolarHBondContact O-N 2.77Å
344S94.1Very high95.4Very high42 Ų4242 Ų4229%0.29420%0.202SC..THydrogen-bonded Turntrans-104.2-4.2-171.861.60000114.7L307 Q346L307-S344 WeakPolarHBondContact CD2-O 3.48Å; S344-Q346 PolarHBondContact O-N 3.43Å; S344-Q346 VanDerWaalsContact O-N 3.08Å; S344-Q346 WeakPolarHBondContact OG-CB 3.21Å; S344-Q346 PolarHBondContact OG-N 3.01Å
345L95.6Very high95.5Very high3 Ų338.2 Ų38.22%0.01618%0.182CC..  trans55.520.6-172.1-53.7-176.5000114Y278 I295 K297 L307 L328 H340 I341Y278-L345 HydrophobicContact CD1-CD2 4.26Å; Y278-L345 HydrophobicContact CE1-CD2 4.13Å; I295-L345 HydrophobicContact CB-CD1 4.45Å; I295-L345 HydrophobicContact CG2-CD1 4.28Å; I295-L345 HydrophobicContact CG2-CD2 3.95Å; I295-L345 WeakPolarHBondContact O-CD1 3.47Å; K297-L345 HydrophobicContact CB-CD1 4.16Å; K297-L345 HydrophobicContact CB-CD2 4.32Å; K297-L345 HydrophobicContact CB-CG 4.43Å; L307-L345 HydrophobicContact CB-CD1 4.3Å; L307-L345 HydrophobicContact CD2-CB 4.25Å; L307-L345 HydrophobicContact CD2-CD1 4.1Å; L307-L345 HydrophobicContact CD2-CG 3.97Å; L307-L345 HydrophobicContact CG-CD1 3.97Å; L307-L345 HydrophobicContact CG-CG 4.39Å; L307-L345 WeakPolarHBondContact O-CD1 3.38Å; L328-L345 HydrophobicContact CD1-CD2 3.6Å; H340-L345 PolarHBondContact CD2-O 2.66Å; I341-L345 WeakPolarHBondContact O-CA 3.37Å; I341-L345 PolarHBondContact O-N 3.12Å
346Q94.4Very high95.4Very high120 Ų12041.5 Ų41.556%0.56122%0.216SC*.  trans-77.9132.3178.5-173.9179.9-0.200110.9H340 I341 S344 L348H340-Q346 CarbonylContact C-O 3.49Å; H340-Q346 WeakPolarHBondContact CA-O 3.47Å; H340-Q346 WeakPolarHBondContact CB-O 3.46Å; I341-Q346 PolarHBondContact N-O 2.85Å; S344-Q346 PolarHBondContact O-N 3.43Å; S344-Q346 VanDerWaalsContact O-N 3.08Å; S344-Q346 WeakPolarHBondContact OG-CB 3.21Å; S344-Q346 PolarHBondContact OG-N 3.01Å; Q346-L348 PolarHBondContact O-N 2.83Å
347K94.7Very high95.3Very high87 Ų8745.1 Ų45.138%0.37824%0.235SC..EExtended strand (participates in β ladder)trans-69117175.2-169.1174.9-67.6-173.50110.5C311 H340 Y350C311-K347 PolarHBondContact O-NZ 2.53Å; H340-K347 WeakPolarHBondContact CD2-CA 3.32Å; H340-K347 PolarHBondContact CD2-N 2.97Å; H340-K347 WeakPolarHBondContact NE2-CB 3.32Å; H340-K347 VanDerWaalsContact NE2-CE 3.3Å; H340-K347 WeakPolarHBondContact NE2-CE 3.38Å; K347-Y350 HydrophobicContact CD-CG 4.4Å
348L93.4Very high95.3Very high61 Ų6146.9 Ų46.932%0.31925%0.246SC..EExtended strand (participates in β ladder)trans-97.8-33.9177.8-76.5179.1000113.4F327 V339 I341 Q346F327-L348 HydrophobicContact CD1-CD1 4.01Å; F327-L348 HydrophobicContact CE1-CD1 3.68Å; V339-L348 PolarHBondContact O-N 3.4Å; I341-L348 HydrophobicContact CD1-CD1 4Å; I341-L348 HydrophobicContact CD1-CD2 3.88Å; I341-L348 HydrophobicContact CD1-CG 4.02Å; I341-L348 HydrophobicContact CG1-CD1 3.29Å; I341-L348 HydrophobicContact CG1-CD2 4.01Å; I341-L348 HydrophobicContact CG1-CG 3.56Å; Q346-L348 PolarHBondContact O-N 2.83Å
349Y94.6Very high95.3Very high19 Ų1946.6 Ų46.68%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-141138.9-175.1178.5-83.7000108.6A338 V339 V351 H394 V396A338-Y349 CarbonylContact C-O 3.54Å; A338-Y349 VanDerWaalsContact CA-O 3.24Å; A338-Y349 WeakPolarHBondContact CA-O 3.11Å; V339-Y349 HydrophobicContact CG2-CD1 4.21Å; V339-Y349 HydrophobicContact CG2-CG 4.44Å; V339-Y349 PolarHBondContact N-O 2.87Å; V339-Y349 PolarHBondContact O-N 2.93Å; V339-Y349 VanDerWaalsContact O-N 3.08Å; Y349-V351 HydrophobicContact CE1-CB 4.29Å; Y349-V351 HydrophobicContact CE1-CG2 3.6Å; Y349-V351 HydrophobicContact CE2-CG2 4.36Å; Y349-V351 VanDerWaalsContact CZ-CG2 3.47Å; Y349-V351 WeakPolarHBondContact OH-CG2 3.41Å; Y349-H394 HydrophobicContact CE1-CB 3.83Å; Y349-H394 AromaticContact CE1-CG 3.92Å; Y349-H394 AromaticContact CE1-ND1 3.38Å; Y349-H394 WeakPolarHBondContact CE1-ND1 3.33Å; Y349-H394 AromaticContact CZ-ND1 3.5Å; Y349-H394 PolarHBondContact OH-ND1 3.02Å; Y349-V396 HydrophobicContact CD2-CG2 4.42Å; Y349-V396 HydrophobicContact CG-CG2 4.36Å
350Y95.3Very high95.3Very high94 Ų9448.1 Ų48.137%0.36925%0.253SS..EExtended strand (participates in β ladder)trans-149.9132.4174.4179.5-108.7000109.6E314 V337 A338 K347 H352E314-Y350 PolarHBondContact OE2-OH 3.49Å; V337-Y350 WeakPolarHBondContact O-CA 3.35Å; A338-Y350 HydrophobicContact CB-CD2 4.05Å; K347-Y350 HydrophobicContact CD-CG 4.4Å; Y350-H352 HydrophobicContact CE1-CB 3.76Å; Y350-H352 PolarHBondContact OH-ND1 2.94Å
351V95.8Very high95.4Very high11 Ų1148.7 Ų48.77%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-127.9118.5166.71760000107.3K4 V6 S336 V337 Y349K4-V351 HydrophobicContact CD-CG2 4.19Å; V6-V351 HydrophobicContact CG2-CB 4.43Å; V6-V351 HydrophobicContact CG2-CG1 3.92Å; V6-V351 HydrophobicContact CG2-CG2 4.06Å; S336-V351 WeakPolarHBondContact CA-O 3.41Å; V337-V351 PolarHBondContact N-O 3.02Å; V337-V351 PolarHBondContact O-N 2.99Å; Y349-V351 HydrophobicContact CE1-CB 4.29Å; Y349-V351 HydrophobicContact CE1-CG2 3.6Å; Y349-V351 HydrophobicContact CE2-CG2 4.36Å; Y349-V351 VanDerWaalsContact CZ-CG2 3.47Å; Y349-V351 WeakPolarHBondContact OH-CG2 3.41Å
352H95.5Very high95.6Very high102 Ų10246.8 Ų46.847%0.47225%0.246SC..THydrogen-bonded Turntrans-74.2132.5175-172.255.6000110.1E314 S336 Y350 S354E314-H352 IonicContact OE1-CE1 3.75Å; E314-H352 PolarHBondContact OE1-CE1 2.9Å; E314-H352 IonicContact OE1-ND1 2.69Å; E314-H352 PolarHBondContact OE1-ND1 2.96Å; S336-H352 WeakPolarHBondContact OG-CA 3.43Å; S336-H352 PolarHBondContact OG-ND1 3.37Å; Y350-H352 HydrophobicContact CE1-CB 3.76Å; Y350-H352 PolarHBondContact OH-ND1 2.94Å; H352-S354 VanDerWaalsContact C-N 3.28Å; H352-S354 PolarHBondContact O-N 2.79Å
353E94.9Very high95.7Very high99 Ų9947.9 Ų47.946%0.46325%0.253SS..THydrogen-bonded Turntrans47.749176.9-62.3178.7167.500112.6S336 H355S336-E353 PolarHBondContact OG-N 2.76Å; E353-H355 CarbonylContact C-O 3.51Å; E353-H355 VanDerWaalsContact C-O 3.32Å; E353-H355 PolarHBondContact O-N 3.02Å
354S94.8Very high95.8Very high12 Ų1243.5 Ų43.58%0.08423%0.233CC..SBendtrans-62.8-40.2175.1-157.70000111V6 G335 H352 R390 Q392 H394V6-S354 WeakPolarHBondContact CG2-OG 3.41Å; G335-S354 PolarHBondContact O-N 3.11Å; H352-S354 VanDerWaalsContact C-N 3.28Å; H352-S354 PolarHBondContact O-N 2.79Å; S354-R390 PolarHBondContact O-NH2 2.79Å; S354-Q392 PolarHBondContact O-NE2 2.82Å; S354-Q392 VanDerWaalsContact O-NE2 3.1Å; S354-Q392 PolarHBondContact O-OE1 3.15Å; S354-Q392 PolarHBondContact OG-OE1 3.15Å; S354-H394 PolarHBondContact OG-CE1 2.95Å; S354-H394 VanDerWaalsContact OG-CE1 3.23Å
355H96.5Very high95.8Very high1 Ų141.5 Ų41.51%0.00522%0.219CC..SBendtrans-98.9153.6165.7-62.8-87.6000109.9G335 E353 I357 V359 S384 A386 D388 R390 Q392G335-H355 WeakPolarHBondContact CA-O 3.48Å; G335-H355 PolarHBondContact O-N 2.97Å; E353-H355 CarbonylContact C-O 3.51Å; E353-H355 VanDerWaalsContact C-O 3.32Å; E353-H355 PolarHBondContact O-N 3.02Å; H355-I357 WeakPolarHBondContact CB-O 3.41Å; H355-I357 PolarHBondContact O-N 2.94Å; H355-V359 HydrophobicContact CB-CG2 4.47Å; H355-S384 WeakPolarHBondContact NE2-CB 3.43Å; H355-S384 PolarHBondContact NE2-OG 2.91Å; H355-A386 HydrophobicContact CB-CB 3.71Å; H355-A386 VanDerWaalsContact CG-CB 3.49Å; H355-A386 VanDerWaalsContact ND1-CB 3.35Å; H355-A386 WeakPolarHBondContact ND1-CB 3.37Å; H355-D388 WeakPolarHBondContact CA-OD2 3.29Å; H355-D388 WeakPolarHBondContact CB-OD2 3.29Å; H355-D388 IonicContact CG-OD2 3.62Å; H355-D388 IonicContact ND1-OD1 3.45Å; H355-D388 PolarHBondContact ND1-OD1 2.88Å; H355-D388 IonicContact ND1-OD2 2.72Å; H355-D388 PolarHBondContact ND1-OD2 2.88Å; H355-R390 PolarHBondContact CE1-O 2.92Å; H355-Q392 PolarHBondContact NE2-OE1 2.93Å
356G93.5Very high95.5Very high70 Ų7041.7 Ų41.772%0.72222%0.221SC*.SBendtrans-81.4-1.7178.500000113.9D388G356-D388 PolarHBondContact N-OD2 3.48Å
357I95.7Very high94.8Very high75 Ų7539.2 Ų39.239%0.38521%0.212SC..SBendtrans-156.7179.4-173-162.1167000108.8G335 H355 V359 A386 V387 D388G335-I357 WeakPolarHBondContact CA-O 3.13Å; G335-I357 PolarHBondContact N-O 3.14Å; H355-I357 WeakPolarHBondContact CB-O 3.41Å; H355-I357 PolarHBondContact O-N 2.94Å; I357-V359 PolarHBondContact O-N 2.79Å; I357-A386 HydrophobicContact CG2-CB 4.49Å; I357-V387 HydrophobicContact CD1-CB 4.23Å; I357-V387 HydrophobicContact CD1-CG1 4.09Å; I357-V387 HydrophobicContact CG2-CB 3.74Å; I357-D388 HydrophobicContact CG2-CB 3.88Å
358V97.5Very high93.9Very high38 Ų3840.2 Ų40.223%0.2322%0.22CC..  trans-46.6125.2-178.960.90000113.6V333 T360 A386 V387V333-V358 HydrophobicContact CG2-CG2 4.41Å; V333-V358 WeakPolarHBondContact O-CA 3.49Å; V333-V358 PolarHBondContact O-N 2.87Å; V358-T360 HydrophobicContact CG1-CG2 4.34Å; V358-T360 PolarHBondContact O-N 3.13Å; V358-A386 WeakPolarHBondContact O-CA 3.48Å; V358-A386 WeakPolarHBondContact O-CB 3.42Å; V358-V387 HydrophobicContact CG1-CB 4.38Å; V358-V387 HydrophobicContact CG1-CG2 3.57Å; V358-V387 PolarHBondContact O-N 3.34Å
359V98.3Very high93Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-72.1118.3164.3-171.40000107.2S317 T332 V337 H355 I357 V362 V385S317-V359 VanDerWaalsContact CB-O 3.26Å; S317-V359 WeakPolarHBondContact CB-O 3.38Å; S317-V359 PolarHBondContact OG-O 2.76Å; T332-V359 PolarHBondContact O-N 2.87Å; V337-V359 HydrophobicContact CG2-CG2 3.96Å; H355-V359 HydrophobicContact CB-CG2 4.47Å; I357-V359 PolarHBondContact O-N 2.79Å; V359-V362 HydrophobicContact CG1-CG1 3.68Å; V359-V385 CarbonylContact C-O 3.54Å; V359-V385 WeakPolarHBondContact CA-O 3.09Å; V359-V385 WeakPolarHBondContact CG1-O 3.34Å
360T98Very high91.8Very high33 Ų3341.6 Ų41.620%0.20222%0.224CC..EExtended strand (participates in β ladder)trans-89.7-33.3-173.356.70000111.8L16 Y17 V358 V385 V387L16-T360 PolarHBondContact O-OG1 2.83Å; Y17-T360 VanDerWaalsContact C-OG1 3.27Å; Y17-T360 WeakPolarHBondContact CA-OG1 3.42Å; Y17-T360 HydrophobicContact CD1-CG2 4.11Å; Y17-T360 WeakPolarHBondContact O-CB 3.41Å; Y17-T360 PolarHBondContact O-OG1 3.02Å; V358-T360 HydrophobicContact CG1-CG2 4.34Å; V358-T360 PolarHBondContact O-N 3.13Å; T360-V385 PolarHBondContact N-O 2.82Å; T360-V385 PolarHBondContact OG1-O 2.94Å; T360-V387 HydrophobicContact CG2-CG2 3.57Å
361D98.4Very high90.3Very high16 Ų1640.1 Ų40.19%0.08624%0.238CC..EExtended strand (participates in β ladder)trans-154.4153179.9-161.74.9000110.6T18 V19 K20 V385T18-D361 WeakPolarHBondContact CA-OD2 3.5Å; T18-D361 PolarHBondContact OG1-OD2 2.82Å; V19-D361 HydrophobicContact CG1-CB 4.15Å; V19-D361 PolarHBondContact N-OD2 2.88Å; K20-D361 IonicContact NZ-OD1 3.25Å; K20-D361 PolarHBondContact NZ-OD1 2.98Å; K20-D361 IonicContact NZ-OD2 3.3Å; K20-D361 PolarHBondContact NZ-OD2 2.75Å; D361-V385 HydrophobicContact CB-CG2 3.83Å; D361-V385 PolarHBondContact O-N 3.3Å
362V98.2Very high89.1Confident2 Ų246.5 Ų46.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-138.2145.4176.7-66.30000109.2A320 V359 L382 L383A320-V362 HydrophobicContact CB-CG2 3.86Å; A320-V362 VanDerWaalsContact CB-O 3.27Å; A320-V362 WeakPolarHBondContact CB-O 3.43Å; V359-V362 HydrophobicContact CG1-CG1 3.68Å; V362-L382 HydrophobicContact CB-CD1 4.13Å; V362-L382 HydrophobicContact CB-CD2 4.31Å; V362-L382 HydrophobicContact CB-CG 4.35Å; V362-L382 HydrophobicContact CG1-CD2 4.43Å; V362-L383 CarbonylContact C-O 3.58Å; V362-L383 WeakPolarHBondContact CA-O 3.26Å
363V97.6Very high88.2Confident23 Ų2346 Ų4614%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-148.2139.617967.70000110.6V19 V21 L383V19-V363 HydrophobicContact CB-CG1 4.27Å; V19-V363 HydrophobicContact CG1-CB 4.22Å; V19-V363 HydrophobicContact CG1-CG1 3.64Å; V19-V363 HydrophobicContact CG2-CG1 3.81Å; V21-V363 HydrophobicContact CG2-CB 4.47Å; V21-V363 HydrophobicContact CG2-CG1 3.64Å; V21-V363 HydrophobicContact CG2-CG2 3.94Å; V363-L383 HydrophobicContact CG1-CB 3.91Å; V363-L383 HydrophobicContact CG1-CD1 4.11Å; V363-L383 HydrophobicContact CG1-CG 4.45Å; V363-L383 PolarHBondContact N-O 3.39Å; V363-L383 PolarHBondContact O-N 2.97Å
364F95.9Very high87.5Confident5 Ų541.9 Ų41.92%0.02225%0.249CC..EExtended strand (participates in β ladder)trans-79.1141.3173.8-74.8-81.5000110.2A320 S322 F327 G329 V339 A380 A381 L382A320-F364 HydrophobicContact CB-CD2 4.44Å; S322-F364 VanDerWaalsContact CA-CD2 3.49Å; S322-F364 VanDerWaalsContact N-CD2 3.34Å; F327-F364 HydrophobicContact CB-CE1 3.77Å; F327-F364 HydrophobicContact CB-CE2 4.25Å; F327-F364 HydrophobicContact CB-CZ 3.52Å; G329-F364 VanDerWaalsContact N-CE2 3.35Å; V339-F364 HydrophobicContact CG1-CE1 4.11Å; V339-F364 HydrophobicContact CG1-CZ 4.06Å; F364-A380 HydrophobicContact CD1-CB 4.23Å; F364-A380 HydrophobicContact CE1-CB 4.03Å; F364-A381 WeakPolarHBondContact CA-O 3.48Å; F364-L382 HydrophobicContact CD1-CB 4.11Å; F364-L382 HydrophobicContact CD1-CD1 3.8Å; F364-L382 HydrophobicContact CD2-CD1 3.77Å; F364-L382 HydrophobicContact CE1-CB 4.02Å; F364-L382 HydrophobicContact CE1-CD1 3.78Å; F364-L382 HydrophobicContact CE1-CG 4.46Å; F364-L382 HydrophobicContact CE2-CD1 3.77Å; F364-L382 HydrophobicContact CG-CD1 3.81Å; F364-L382 HydrophobicContact CZ-CD1 3.77Å
365L93Very high86.6Confident0 Ų041.8 Ų41.80%025%0.247CC..PPolyproline II helixtrans-67.1137162.1-68.7178.2000108.5V21 V28 Y58 I374 K375 A381 L383V21-L365 HydrophobicContact CG1-CD2 4.39Å; V21-L365 HydrophobicContact CG2-CD2 4.19Å; V28-L365 HydrophobicContact CG2-CD2 4.2Å; Y58-L365 HydrophobicContact CD1-CD1 4.29Å; Y58-L365 HydrophobicContact CE1-CD1 3.85Å; L365-I374 HydrophobicContact CB-CG2 4.17Å; L365-I374 HydrophobicContact CD1-CG2 4.42Å; L365-K375 WeakPolarHBondContact O-CE 3.07Å; L365-K375 PolarHBondContact O-NZ 3.24Å; L365-A381 HydrophobicContact CB-CB 4.25Å; L365-A381 HydrophobicContact CD1-CB 3.87Å; L365-A381 HydrophobicContact CG-CB 4.34Å; L365-A381 PolarHBondContact N-O 3.1Å; L365-L383 HydrophobicContact CD2-CD1 3.79Å; L365-L383 HydrophobicContact CD2-CG 4.18Å; L365-L383 HydrophobicContact CG-CD1 4.41Å; L365-L383 HydrophobicContact CG-CG 4.25Å
366P89Confident85.8Confident7 Ų742.6 Ų42.65%0.04526%0.256CS..PPolyproline II helixtrans-69.1162.1175.829.2-34000110.5V21 A23 D323 L368 M369 I374 K375V21-P366 HydrophobicContact CG1-CG 4.21Å; A23-P366 HydrophobicContact CB-CB 4.21Å; A23-P366 HydrophobicContact CB-CG 3.94Å; D323-P366 WeakPolarHBondContact OD2-CA 3.35Å; D323-P366 WeakPolarHBondContact OD2-CB 3.04Å; P366-L368 WeakPolarHBondContact CG-O 3.43Å; P366-L368 PolarHBondContact O-N 3.07Å; P366-M369 HydrophobicContact CG-CG 3.6Å; P366-M369 HydrophobicContact CG-SD 3.15Å; P366-M369 WeakPolarHBondContact CG-SD 3.39Å; P366-I374 WeakPolarHBondContact O-CG2 3.3Å; P366-K375 VanDerWaalsContact C-CE 3.45Å; P366-K375 VanDerWaalsContact O-CE 3.26Å; P366-K375 WeakPolarHBondContact O-CE 3.28Å
367N79.2Confident85.1Confident69 Ų6945.5 Ų45.537%0.36926%0.255SS..SBendtrans-62.6-37.4178.6-71.6-25.2000111.7K375N367-K375 WeakPolarHBondContact OD1-CD 3.32Å; N367-K375 WeakPolarHBondContact OD1-CE 3.34Å; N367-K375 PolarHBondContact OD1-NZ 3.23Å
368L77.1Confident84.6Confident108 Ų10842.5 Ų42.557%0.56524%0.24SC*.  trans-121.5128.3-179.5-67.2163.6000108P366 Q372P366-L368 WeakPolarHBondContact CG-O 3.43Å; P366-L368 PolarHBondContact O-N 3.07Å; L368-Q372 WeakPolarHBondContact CA-O 3.37Å
369M74.3Confident84.1Confident8 Ų844.5 Ų44.54%0.03925%0.245CC..BIsolated β-bridgetrans-124.2122.8170.4-74.6-71.8-92.200107.3V21 G26 P366 G371 Q372 I374V21-M369 HydrophobicContact CG1-CE 3.26Å; V21-M369 HydrophobicContact CG1-SD 3.6Å; G26-M369 WeakPolarHBondContact O-CE 3.23Å; P366-M369 HydrophobicContact CG-CG 3.6Å; P366-M369 HydrophobicContact CG-SD 3.15Å; P366-M369 WeakPolarHBondContact CG-SD 3.39Å; M369-G371 PolarHBondContact O-N 3.48Å; M369-G371 VanDerWaalsContact O-N 3.12Å; M369-Q372 PolarHBondContact N-O 2.88Å; M369-Q372 WeakPolarHBondContact O-CB 3.48Å; M369-Q372 PolarHBondContact O-N 3.48Å; M369-I374 HydrophobicContact CB-CB 4.19Å; M369-I374 HydrophobicContact CB-CD1 4.08Å; M369-I374 HydrophobicContact CB-CG2 4.24Å; M369-I374 HydrophobicContact CG-CB 4.1Å; M369-I374 HydrophobicContact CG-CD1 3.91Å; M369-I374 HydrophobicContact CG-CG2 3.65Å
370K70.1Confident83.7Confident100 Ų10044.5 Ų44.544%0.43525%0.246SC..THydrogen-bonded Turntrans51.432.2-171.7-59.5171-178.8169.90112.9T25 D49 Q372T25-K370 WeakPolarHBondContact O-CE 3.35Å; D49-K370 IonicContact OD1-NZ 2.8Å; D49-K370 PolarHBondContact OD1-NZ 3.35Å; K370-Q372 PolarHBondContact O-N 3.42Å
371G62.9Low83.5Confident64 Ų6443 Ų4366%0.6624%0.236SC*.THydrogen-bonded Turntrans71.93.4-174.400000115.6M369M369-G371 PolarHBondContact O-N 3.48Å; M369-G371 VanDerWaalsContact O-N 3.12Å
372Q70.1Confident83.4Confident144 Ų14442.2 Ų42.267%0.67323%0.232SC*.BIsolated β-bridgetrans-101.6145.5177.8-61.2-174.75.400111.8L368 M369 K370 I374L368-Q372 WeakPolarHBondContact CA-O 3.37Å; M369-Q372 PolarHBondContact N-O 2.88Å; M369-Q372 WeakPolarHBondContact O-CB 3.48Å; M369-Q372 PolarHBondContact O-N 3.48Å; K370-Q372 PolarHBondContact O-N 3.42Å; Q372-I374 PolarHBondContact O-N 3.38Å; Q372-I374 VanDerWaalsContact O-N 3.1Å
373N77Confident83.3Confident91 Ų9142.1 Ų42.149%0.48723%0.232SC..  trans-76.995.7175.4179.28.5000110.7K375 G376N373-K375 PolarHBondContact OD1-N 2.99Å; N373-K375 VanDerWaalsContact OD1-N 3.08Å; N373-G376 PolarHBondContact ND2-O 2.97Å; N373-G376 PolarHBondContact OD1-N 2.91Å; N373-G376 VanDerWaalsContact OD1-N 3.11Å
374I80.6Confident83.3Confident14 Ų1441 Ų417%0.07223%0.225CC..SBendtrans-79.1-18.1178.3-156.4160.6000113V50 Y58 L365 P366 M369 Q372 G376V50-I374 HydrophobicContact CG1-CD1 4.36Å; V50-I374 VanDerWaalsContact O-CD1 3.28Å; V50-I374 WeakPolarHBondContact O-CD1 3.29Å; Y58-I374 HydrophobicContact CE1-CG1 4.09Å; Y58-I374 WeakPolarHBondContact CE1-O 3.25Å; Y58-I374 PolarHBondContact OH-O 2.89Å; L365-I374 HydrophobicContact CB-CG2 4.17Å; L365-I374 HydrophobicContact CD1-CG2 4.42Å; P366-I374 WeakPolarHBondContact O-CG2 3.3Å; M369-I374 HydrophobicContact CB-CB 4.19Å; M369-I374 HydrophobicContact CB-CD1 4.08Å; M369-I374 HydrophobicContact CB-CG2 4.24Å; M369-I374 HydrophobicContact CG-CB 4.1Å; M369-I374 HydrophobicContact CG-CD1 3.91Å; M369-I374 HydrophobicContact CG-CG2 3.65Å; Q372-I374 PolarHBondContact O-N 3.38Å; Q372-I374 VanDerWaalsContact O-N 3.1Å; I374-G376 VanDerWaalsContact C-N 3.31Å
375K76.1Confident83.4Confident9 Ų940.8 Ų40.84%0.03922%0.224CC..SBendtrans-77-22.4177.8-67.5-176.7-175.6177.30112.1L365 P366 N367 N373 N377 N378L365-K375 WeakPolarHBondContact O-CE 3.07Å; L365-K375 PolarHBondContact O-NZ 3.24Å; P366-K375 VanDerWaalsContact C-CE 3.45Å; P366-K375 VanDerWaalsContact O-CE 3.26Å; P366-K375 WeakPolarHBondContact O-CE 3.28Å; N367-K375 WeakPolarHBondContact OD1-CD 3.32Å; N367-K375 WeakPolarHBondContact OD1-CE 3.34Å; N367-K375 PolarHBondContact OD1-NZ 3.23Å; N373-K375 PolarHBondContact OD1-N 2.99Å; N373-K375 VanDerWaalsContact OD1-N 3.08Å; K375-N377 PolarHBondContact O-N 3.1Å; K375-N378 WeakPolarHBondContact O-CB 3.26Å; K375-N378 PolarHBondContact O-N 3.46Å; K375-N378 PolarHBondContact O-ND2 3.42Å
376G78.3Confident83.7Confident19 Ų1940.8 Ų40.820%0.19622%0.224CC..THydrogen-bonded Turntrans56.5-119.5-172.300000110.6N373 I374N373-G376 PolarHBondContact ND2-O 2.97Å; N373-G376 PolarHBondContact OD1-N 2.91Å; N373-G376 VanDerWaalsContact OD1-N 3.11Å; I374-G376 VanDerWaalsContact C-N 3.31Å
377N80.3Confident84Confident130 Ų13042.3 Ų42.370%0.69523%0.233SC*.THydrogen-bonded Turntrans-94.34.6179.9-69.8-16.3000113.9K375K375-N377 PolarHBondContact O-N 3.1Å
378N84.6Confident84.8Confident12 Ų1240.6 Ų40.66%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-80.6143.4-180-60.3-57.5000111.2N56 K375 A380 V396N56-N378 PolarHBondContact ND2-OD1 3.5Å; N56-N378 VanDerWaalsContact ND2-OD1 3.17Å; N56-N378 VanDerWaalsContact OD1-CG 3.31Å; N56-N378 PolarHBondContact OD1-ND2 2.83Å; N56-N378 PolarHBondContact OD1-OD1 2.86Å; N56-N378 VanDerWaalsContact OD1-OD1 3.06Å; K375-N378 WeakPolarHBondContact O-CB 3.26Å; K375-N378 PolarHBondContact O-N 3.46Å; K375-N378 PolarHBondContact O-ND2 3.42Å; N378-A380 VanDerWaalsContact C-N 3.33Å; N378-V396 CarbonylContact C-O 3.57Å; N378-V396 WeakPolarHBondContact CA-O 3.33Å
379K86.4Confident85.7Confident80 Ų8036.4 Ų36.435%0.34820%0.203SC..EExtended strand (participates in β ladder)trans-64.3-41.7171-71.6-176.7174.71790110.7F327 V396 K398F327-K379 WeakPolarHBondContact CE2-O 3.35Å; F327-K379 HydrophobicContact CZ-CB 3.98Å; K379-V396 HydrophobicContact CB-CB 4.49Å; K379-V396 HydrophobicContact CB-CG1 4.28Å; K379-V396 PolarHBondContact N-O 3.46Å; K379-K398 HydrophobicContact CG-CB 4.35Å
380A90.9Very high86.7Confident1 Ų138.7 Ų38.71%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-151.1153.4178.100000110.5F327 F364 N378 V396F327-A380 HydrophobicContact CD2-CB 3.73Å; F327-A380 HydrophobicContact CE2-CB 3.91Å; F327-A380 HydrophobicContact CG-CB 4.09Å; F327-A380 HydrophobicContact CZ-CB 4.42Å; F364-A380 HydrophobicContact CD1-CB 4.23Å; F364-A380 HydrophobicContact CE1-CB 4.03Å; N378-A380 VanDerWaalsContact C-N 3.33Å; A380-V396 HydrophobicContact CB-CB 4.3Å; A380-V396 HydrophobicContact CB-CG2 4.3Å; A380-V396 PolarHBondContact O-N 3.38Å
381A93.1Very high88Confident0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-129.8122.7167.100000107.5F364 L365 H394F364-A381 WeakPolarHBondContact CA-O 3.48Å; L365-A381 HydrophobicContact CB-CB 4.25Å; L365-A381 HydrophobicContact CD1-CB 3.87Å; L365-A381 HydrophobicContact CG-CB 4.34Å; L365-A381 PolarHBondContact N-O 3.1Å; A381-H394 WeakPolarHBondContact CA-O 3.37Å
382L95.8Very high89.6Confident1 Ų131 Ų311%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-112129.6-180-177.677.8000108.6V337 V339 V362 F364 H394V337-L382 HydrophobicContact CG1-CD2 3.71Å; V339-L382 HydrophobicContact CG2-CB 4.3Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; V362-L382 HydrophobicContact CB-CD1 4.13Å; V362-L382 HydrophobicContact CB-CD2 4.31Å; V362-L382 HydrophobicContact CB-CG 4.35Å; V362-L382 HydrophobicContact CG1-CD2 4.43Å; F364-L382 HydrophobicContact CD1-CB 4.11Å; F364-L382 HydrophobicContact CD1-CD1 3.8Å; F364-L382 HydrophobicContact CD2-CD1 3.77Å; F364-L382 HydrophobicContact CE1-CB 4.02Å; F364-L382 HydrophobicContact CE1-CD1 3.78Å; F364-L382 HydrophobicContact CE1-CG 4.46Å; F364-L382 HydrophobicContact CE2-CD1 3.77Å; F364-L382 HydrophobicContact CG-CD1 3.81Å; F364-L382 HydrophobicContact CZ-CD1 3.77Å; L382-H394 HydrophobicContact CB-CB 4.25Å; L382-H394 PolarHBondContact N-O 2.8Å; L382-H394 PolarHBondContact O-N 2.95Å
383L97Very high90.7Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-90.4140.9167.7-60.6177.6000109.3L9 V19 V21 V28 V362 V363 L365 Q392 V393L9-L383 HydrophobicContact CD2-CD2 3.77Å; V19-L383 HydrophobicContact CG2-CD1 4.41Å; V21-L383 HydrophobicContact CG2-CD1 4.16Å; V28-L383 HydrophobicContact CB-CD1 4.43Å; V28-L383 HydrophobicContact CG1-CD1 3.62Å; V28-L383 HydrophobicContact CG2-CD1 3.89Å; V362-L383 CarbonylContact C-O 3.58Å; V362-L383 WeakPolarHBondContact CA-O 3.26Å; V363-L383 HydrophobicContact CG1-CB 3.91Å; V363-L383 HydrophobicContact CG1-CD1 4.11Å; V363-L383 HydrophobicContact CG1-CG 4.45Å; V363-L383 PolarHBondContact N-O 3.39Å; V363-L383 PolarHBondContact O-N 2.97Å; L365-L383 HydrophobicContact CD2-CD1 3.79Å; L365-L383 HydrophobicContact CD2-CG 4.18Å; L365-L383 HydrophobicContact CG-CD1 4.41Å; L365-L383 HydrophobicContact CG-CG 4.25Å; L383-Q392 VanDerWaalsContact CA-O 3.31Å; L383-Q392 WeakPolarHBondContact CA-O 3.12Å; L383-V393 HydrophobicContact CD2-CB 4.19Å; L383-V393 HydrophobicContact CD2-CG1 4.42Å; L383-V393 HydrophobicContact CD2-CG2 3.33Å
384S98.2Very high91.6Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-128.4140.7171.158.70000110.1H355 C391 Q392 H394H355-S384 WeakPolarHBondContact NE2-CB 3.43Å; H355-S384 PolarHBondContact NE2-OG 2.91Å; S384-C391 CarbonylContact O-C 3.55Å; S384-C391 VanDerWaalsContact O-CA 3.3Å; S384-C391 WeakPolarHBondContact O-CA 3.32Å; S384-Q392 PolarHBondContact N-O 2.8Å; S384-Q392 PolarHBondContact O-N 2.79Å; S384-H394 PolarHBondContact OG-CD2 3.16Å; S384-H394 PolarHBondContact OG-NE2 2.91Å
385V98.3Very high92.1Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-125.8151.5172.9-64.10000110.2L16 V19 T30 V359 T360 D361 R390 C391L16-V385 HydrophobicContact CB-CB 3.82Å; L16-V385 HydrophobicContact CB-CG1 4.4Å; L16-V385 HydrophobicContact CB-CG2 4.36Å; L16-V385 HydrophobicContact CD1-CB 3.99Å; L16-V385 HydrophobicContact CD1-CG1 3.75Å; V19-V385 HydrophobicContact CB-CB 4.49Å; V19-V385 HydrophobicContact CB-CG1 3.75Å; V19-V385 HydrophobicContact CB-CG2 3.88Å; V19-V385 HydrophobicContact CG1-CB 4.46Å; V19-V385 HydrophobicContact CG1-CG1 4.01Å; V19-V385 HydrophobicContact CG1-CG2 3.69Å; V19-V385 HydrophobicContact CG2-CG1 4.24Å; T30-V385 HydrophobicContact CG2-CG1 4.25Å; V359-V385 CarbonylContact C-O 3.54Å; V359-V385 WeakPolarHBondContact CA-O 3.09Å; V359-V385 WeakPolarHBondContact CG1-O 3.34Å; T360-V385 PolarHBondContact N-O 2.82Å; T360-V385 PolarHBondContact OG1-O 2.94Å; D361-V385 HydrophobicContact CB-CG2 3.83Å; D361-V385 PolarHBondContact O-N 3.3Å; V385-R390 WeakPolarHBondContact CA-O 3.49Å; V385-C391 HydrophobicContact CG1-CB 3.89Å
386A97.8Very high92.7Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-146.2169.3-177.100000112L16 H355 I357 V358 D388 S389 R390L16-A386 PolarHBondContact N-O 3.39Å; L16-A386 CarbonylContact O-C 3.53Å; H355-A386 HydrophobicContact CB-CB 3.71Å; H355-A386 VanDerWaalsContact CG-CB 3.49Å; H355-A386 VanDerWaalsContact ND1-CB 3.35Å; H355-A386 WeakPolarHBondContact ND1-CB 3.37Å; I357-A386 HydrophobicContact CG2-CB 4.49Å; V358-A386 WeakPolarHBondContact O-CA 3.48Å; V358-A386 WeakPolarHBondContact O-CB 3.42Å; A386-D388 WeakPolarHBondContact CB-OD1 3.37Å; A386-D388 PolarHBondContact O-N 2.82Å; A386-S389 PolarHBondContact O-N 3.18Å; A386-R390 PolarHBondContact N-O 3.3Å
387V96.2Very high93Very high39 Ų3924.4 Ų24.424%0.23613%0.131CC..THydrogen-bonded Turntrans-60.6-19.1176.2178.90000112P15 Y17 I357 V358 T360 S389P15-V387 HydrophobicContact CB-CG1 4.09Å; P15-V387 WeakPolarHBondContact CB-O 3.45Å; Y17-V387 HydrophobicContact CE1-CG2 4.23Å; I357-V387 HydrophobicContact CD1-CB 4.23Å; I357-V387 HydrophobicContact CD1-CG1 4.09Å; I357-V387 HydrophobicContact CG2-CB 3.74Å; V358-V387 HydrophobicContact CG1-CB 4.38Å; V358-V387 HydrophobicContact CG1-CG2 3.57Å; V358-V387 PolarHBondContact O-N 3.34Å; T360-V387 HydrophobicContact CG2-CG2 3.57Å; V387-S389 PolarHBondContact O-N 3.45Å
388D95.1Very high92.6Very high32 Ų3225.6 Ų25.617%0.17113%0.13CC..THydrogen-bonded Turntrans-71.46.7173.769.98.7000114.7H355 G356 I357 A386 R390H355-D388 WeakPolarHBondContact CA-OD2 3.29Å; H355-D388 WeakPolarHBondContact CB-OD2 3.29Å; H355-D388 IonicContact CG-OD2 3.62Å; H355-D388 IonicContact ND1-OD1 3.45Å; H355-D388 PolarHBondContact ND1-OD1 2.88Å; H355-D388 IonicContact ND1-OD2 2.72Å; H355-D388 PolarHBondContact ND1-OD2 2.88Å; G356-D388 PolarHBondContact N-OD2 3.48Å; I357-D388 HydrophobicContact CG2-CB 3.88Å; A386-D388 WeakPolarHBondContact CB-OD1 3.37Å; A386-D388 PolarHBondContact O-N 2.82Å; D388-R390 VanDerWaalsContact CG-NE 3.34Å; D388-R390 PolarHBondContact O-N 2.97Å; D388-R390 WeakPolarHBondContact OD1-CB 3.36Å; D388-R390 PolarHBondContact OD1-N 3.34Å; D388-R390 VanDerWaalsContact OD1-N 3.1Å; D388-R390 IonicContact OD1-NE 3.64Å; D388-R390 IonicContact OD2-CZ 3.65Å; D388-R390 IonicContact OD2-NE 2.9Å; D388-R390 PolarHBondContact OD2-NE 2.9Å; D388-R390 IonicContact OD2-NH2 2.66Å; D388-R390 PolarHBondContact OD2-NH2 2.92Å
389S95.8Very high91.7Very high20 Ų2032.3 Ų32.314%0.1416%0.161CC..SBendtrans6814.9176.9-410000114.1R11 A12 F14 A386 V387R11-S389 CarbonylContact C-O 3.58Å; R11-S389 WeakPolarHBondContact CA-O 3.31Å; A12-S389 PolarHBondContact N-O 2.81Å; A12-S389 WeakPolarHBondContact O-CB 3.39Å; F14-S389 WeakPolarHBondContact O-CB 3.44Å; F14-S389 PolarHBondContact O-OG 2.86Å; F14-S389 VanDerWaalsContact O-OG 3.1Å; A386-S389 PolarHBondContact O-N 3.18Å; V387-S389 PolarHBondContact O-N 3.45Å
390R96.6Very high90.3Very high56 Ų5639.5 Ų39.521%0.21119%0.185CC..EExtended strand (participates in β ladder)trans-106.2140-179.3-59.2-176.6-68.1162.4-0.4111.3D8 R11 S354 H355 V385 A386 D388D8-R390 IonicContact OD1-NH1 3.22Å; D8-R390 PolarHBondContact OD1-NH1 2.98Å; D8-R390 WeakPolarHBondContact OD2-CD 3.44Å; D8-R390 IonicContact OD2-NH1 2.76Å; R11-R390 HydrophobicContact CG-CG 4.37Å; S354-R390 PolarHBondContact O-NH2 2.79Å; H355-R390 PolarHBondContact CE1-O 2.92Å; V385-R390 WeakPolarHBondContact CA-O 3.49Å; A386-R390 PolarHBondContact N-O 3.3Å; D388-R390 VanDerWaalsContact CG-NE 3.34Å; D388-R390 PolarHBondContact O-N 2.97Å; D388-R390 WeakPolarHBondContact OD1-CB 3.36Å; D388-R390 PolarHBondContact OD1-N 3.34Å; D388-R390 VanDerWaalsContact OD1-N 3.1Å; D388-R390 IonicContact OD1-NE 3.64Å; D388-R390 IonicContact OD2-CZ 3.65Å; D388-R390 IonicContact OD2-NE 2.9Å; D388-R390 PolarHBondContact OD2-NE 2.9Å; D388-R390 IonicContact OD2-NH2 2.66Å; D388-R390 PolarHBondContact OD2-NH2 2.92Å
391C97.1Very high88.8Confident0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-107.3123.6165.6-176.70000108.1L9 Y10 L16 S384 V385L9-C391 WeakPolarHBondContact CB-O 3.4Å; L9-C391 PolarHBondContact N-O 2.88Å; Y10-C391 PolarHBondContact N-O 2.89Å; Y10-C391 PolarHBondContact O-N 2.95Å; L16-C391 HydrophobicContact CD1-CB 4.25Å; S384-C391 CarbonylContact O-C 3.55Å; S384-C391 VanDerWaalsContact O-CA 3.3Å; S384-C391 WeakPolarHBondContact O-CA 3.32Å; V385-C391 HydrophobicContact CG1-CB 3.89Å
392Q96.2Very high87.6Confident2 Ų251 Ų511%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-116.9152-178.3-74-179.8-7.400111.1V6 D8 S354 H355 L383 S384V6-Q392 HydrophobicContact CG1-CB 3.9Å; V6-Q392 HydrophobicContact CG1-CG 4.18Å; D8-Q392 VanDerWaalsContact OD1-CG 3.3Å; D8-Q392 WeakPolarHBondContact OD1-CG 3.39Å; D8-Q392 PolarHBondContact OD1-NE2 2.86Å; S354-Q392 PolarHBondContact O-NE2 2.82Å; S354-Q392 VanDerWaalsContact O-NE2 3.1Å; S354-Q392 PolarHBondContact O-OE1 3.15Å; S354-Q392 PolarHBondContact OG-OE1 3.15Å; H355-Q392 PolarHBondContact NE2-OE1 2.93Å; L383-Q392 VanDerWaalsContact CA-O 3.31Å; L383-Q392 WeakPolarHBondContact CA-O 3.12Å; S384-Q392 PolarHBondContact N-O 2.8Å; S384-Q392 PolarHBondContact O-N 2.79Å
393V94.4Very high86.6Confident19 Ų1953.5 Ų53.512%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-111.3127.9174.7-177.40000110.3L9 Y58 L383 T395L9-V393 HydrophobicContact CB-CG2 3.68Å; L9-V393 HydrophobicContact CD1-CG2 4.06Å; L9-V393 HydrophobicContact CD2-CG2 3.54Å; L9-V393 HydrophobicContact CG-CG2 3.93Å; Y58-V393 HydrophobicContact CD2-CB 4.34Å; Y58-V393 HydrophobicContact CD2-CG1 3.62Å; Y58-V393 HydrophobicContact CD2-CG2 4.49Å; Y58-V393 HydrophobicContact CE2-CG1 3.9Å; Y58-V393 HydrophobicContact CG-CG1 4.18Å; Y58-V393 HydrophobicContact CG-CG2 4.35Å; L383-V393 HydrophobicContact CD2-CB 4.19Å; L383-V393 HydrophobicContact CD2-CG1 4.42Å; L383-V393 HydrophobicContact CD2-CG2 3.33Å; V393-T395 HydrophobicContact CG1-CG2 4.1Å
394H94.1Very high85.7Confident0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-112.7103.6178.2-61.2-89.1000110.2Y349 S354 A381 L382 S384Y349-H394 HydrophobicContact CE1-CB 3.83Å; Y349-H394 AromaticContact CE1-CG 3.92Å; Y349-H394 AromaticContact CE1-ND1 3.38Å; Y349-H394 WeakPolarHBondContact CE1-ND1 3.33Å; Y349-H394 AromaticContact CZ-ND1 3.5Å; Y349-H394 PolarHBondContact OH-ND1 3.02Å; S354-H394 PolarHBondContact OG-CE1 2.95Å; S354-H394 VanDerWaalsContact OG-CE1 3.23Å; A381-H394 WeakPolarHBondContact CA-O 3.37Å; L382-H394 HydrophobicContact CB-CB 4.25Å; L382-H394 PolarHBondContact N-O 2.8Å; L382-H394 PolarHBondContact O-N 2.95Å; S384-H394 PolarHBondContact OG-CD2 3.16Å; S384-H394 PolarHBondContact OG-NE2 2.91Å
395T91.6Very high84.9Confident32 Ų3265.4 Ų65.420%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-92.2127.6178.358.70000111.8Y58 V393Y58-T395 HydrophobicContact CD2-CG2 4.22Å; Y58-T395 HydrophobicContact CE2-CG2 3.5Å; V393-T395 HydrophobicContact CG1-CG2 4.1Å
396V89.2Confident84Confident13 Ų1369.2 Ų69.28%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-95.3104169-175.20000108.1V339 Y349 N378 K379 A380V339-V396 HydrophobicContact CB-CG2 4.11Å; V339-V396 HydrophobicContact CG1-CG2 4.17Å; V339-V396 HydrophobicContact CG2-CG2 4.03Å; Y349-V396 HydrophobicContact CD2-CG2 4.42Å; Y349-V396 HydrophobicContact CG-CG2 4.36Å; N378-V396 CarbonylContact C-O 3.57Å; N378-V396 WeakPolarHBondContact CA-O 3.33Å; K379-V396 HydrophobicContact CB-CB 4.49Å; K379-V396 HydrophobicContact CB-CG1 4.28Å; K379-V396 PolarHBondContact N-O 3.46Å; A380-V396 HydrophobicContact CB-CB 4.3Å; A380-V396 HydrophobicContact CB-CG2 4.3Å; A380-V396 PolarHBondContact O-N 3.38Å
397T83.8Confident83.3Confident76 Ų7676 Ų7647%0.46638%0.375SS..EExtended strand (participates in β ladder)trans-72.7144.5-177.853.50000111.5N56 E399N56-T397 WeakPolarHBondContact ND2-CG2 3.28Å; T397-E399 PolarHBondContact O-N 3.38Å
398K72.6Confident82.7Confident155 Ų15580.2 Ų80.267%0.67439%0.391SS*.PPolyproline II helixtrans-63126.2165.3-161.6172.9-175.9178.30108K379 R400K379-K398 HydrophobicContact CG-CB 4.35Å; K398-R400 PolarHBondContact O-N 2.88Å
399E65.1Low82.4Confident153 Ų15381.2 Ų81.272%0.71540%0.4SS*.PPolyproline II helixtrans-54.9139.2173.4-73.1177.4-170.500108.9T397T397-E399 PolarHBondContact O-N 3.38Å
400R58.1Low82Confident230 Ų23081.9 Ų81.987%0.86841%0.409SS*.PPolyproline II helixtrans-60.9136.8169.6-70-176.6179.6-179.50.3106.8K398 I402K398-R400 PolarHBondContact O-N 2.88Å; R400-I402 PolarHBondContact O-N 2.87Å
401P59Low81.6Confident116 Ų11683.7 Ų83.775%0.75342%0.423SS*.PPolyproline II helixtrans-52.5134.5172.123.1-31.6000107.8P403P401-P403 WeakPolarHBondContact O-CD 3.36Å; P401-P403 VanDerWaalsContact O-N 3.1Å
402I67.6Low81.3Confident127 Ų12788.9 Ų88.965%0.65145%0.449SS*.PPolyproline II helixtrans-50.5123.5174.6-63.9171.6000106.1R400 L406R400-I402 PolarHBondContact O-N 2.87Å; I402-L406 HydrophobicContact CG2-CB 3.65Å; I402-L406 HydrophobicContact CG2-CD1 3.9Å; I402-L406 HydrophobicContact CG2-CG 4.43Å
403P75.6Confident81.1Confident53 Ų5393.8 Ų93.834%0.34447%0.474SS..PPolyproline II helixtrans-49.2132178.2-26.326.7000110.1P401 W405 L406P401-P403 WeakPolarHBondContact O-CD 3.36Å; P401-P403 VanDerWaalsContact O-N 3.1Å; P403-W405 HydrophobicContact CB-CD2 4.39Å; P403-W405 HydrophobicContact CB-CG 4.05Å; P403-W405 PolarHBondContact O-N 2.87Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 3.43Å
404P77.4Confident81Confident95 Ų9596.7 Ų96.762%0.61749%0.492SS*.Hα-helixtrans-56.5-27.2-174.716.7-28.5000112.4L406 F407 F408P404-L406 VanDerWaalsContact C-N 3.31Å; P404-L406 PolarHBondContact O-N 2.91Å; P404-F407 WeakPolarHBondContact O-CB 3.39Å; P404-F407 PolarHBondContact O-N 2.92Å; P404-F407 VanDerWaalsContact O-N 3.15Å; P404-F408 HydrophobicContact CB-CE2 4.41Å; P404-F408 WeakPolarHBondContact O-CD2 3.32Å; P404-F408 PolarHBondContact O-N 3.11Å; P404-F408 VanDerWaalsContact O-N 3.11Å
405W80.7Confident80.9Confident155 Ų15598.1 Ų98.159%0.58751%0.506SS*.Hα-helixtrans-61.4-31.6174.768.9-99.4000114.2P403 F407 F408 C409P403-W405 HydrophobicContact CB-CD2 4.39Å; P403-W405 HydrophobicContact CB-CG 4.05Å; P403-W405 PolarHBondContact O-N 2.87Å; W405-F407 VanDerWaalsContact C-N 3.32Å; W405-F408 CarbonylContact O-C 3.48Å; W405-F408 PolarHBondContact O-N 2.96Å; W405-C409 PolarHBondContact O-N 3.38Å; W405-C409 PolarHBondContact O-SG 2.99Å
406L80.6Confident80.8Confident80 Ų80102 Ų10242%0.41952%0.524SS..Hα-helixtrans-69.2-32.7175.7-82165.1000111.8I402 P403 P404 C409 G410I402-L406 HydrophobicContact CG2-CB 3.65Å; I402-L406 HydrophobicContact CG2-CD1 3.9Å; I402-L406 HydrophobicContact CG2-CG 4.43Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 3.43Å; P404-L406 VanDerWaalsContact C-N 3.31Å; P404-L406 PolarHBondContact O-N 2.91Å; L406-C409 PolarHBondContact O-N 3.39Å; L406-G410 PolarHBondContact O-N 2.9Å
407F82.3Confident80.8Confident144 Ų144106.7 Ų106.763%0.63255%0.548SS*.Hα-helixtrans-66.7-42.1171.2-175.7-98.5000111P404 W405 G410 L411P404-F407 WeakPolarHBondContact O-CB 3.39Å; P404-F407 PolarHBondContact O-N 2.92Å; P404-F407 VanDerWaalsContact O-N 3.15Å; W405-F407 VanDerWaalsContact C-N 3.32Å; F407-G410 PolarHBondContact O-N 2.66Å; F407-L411 HydrophobicContact CD1-CD1 3.8Å; F407-L411 HydrophobicContact CE1-CD1 3.45Å; F407-L411 VanDerWaalsContact CE1-CD1 3.45Å; F407-L411 HydrophobicContact CE1-CG 4.27Å; F407-L411 HydrophobicContact CZ-CD1 4.19Å; F407-L411 PolarHBondContact O-N 2.78Å
408F84.8Confident81Confident127 Ų127108.1 Ų108.156%0.55755%0.552SS**Hα-helixtrans-63.1-40.5172.6-72.7-70.5000112.6P404 W405 G410 L411 I412P404-F408 HydrophobicContact CB-CE2 4.41Å; P404-F408 WeakPolarHBondContact O-CD2 3.32Å; P404-F408 PolarHBondContact O-N 3.11Å; P404-F408 VanDerWaalsContact O-N 3.11Å; W405-F408 CarbonylContact O-C 3.48Å; W405-F408 PolarHBondContact O-N 2.96Å; F408-G410 VanDerWaalsContact C-N 3.34Å; F408-G410 PolarHBondContact O-N 3.12Å; F408-L411 PolarHBondContact O-N 2.93Å; F408-I412 VanDerWaalsContact O-CG1 3.26Å; F408-I412 WeakPolarHBondContact O-CG1 3.46Å; F408-I412 PolarHBondContact O-N 3.28Å
409C87.1Confident81.8Confident53 Ų53105.2 Ų105.236%0.35854%0.543SS..Hα-helixtrans-61.6-42173.5-70.20000111.7W405 L406 I412 I413W405-C409 PolarHBondContact O-N 3.38Å; W405-C409 PolarHBondContact O-SG 2.99Å; L406-C409 PolarHBondContact O-N 3.39Å; C409-I412 PolarHBondContact O-N 2.6Å; C409-I413 VanDerWaalsContact O-CG1 3.27Å; C409-I413 WeakPolarHBondContact O-CG1 3.49Å; C409-I413 PolarHBondContact O-N 3.45Å
410G87.3Confident82.7Confident33 Ų33102.9 Ų102.934%0.3454%0.535SS..Hα-helixtrans-60-45.3174.200000112.5L406 F407 F408 I412 I413 V414L406-G410 PolarHBondContact O-N 2.9Å; F407-G410 PolarHBondContact O-N 2.66Å; F408-G410 VanDerWaalsContact C-N 3.34Å; F408-G410 PolarHBondContact O-N 3.12Å; G410-I412 PolarHBondContact O-N 3.15Å; G410-I413 PolarHBondContact O-N 2.81Å; G410-V414 WeakPolarHBondContact O-CG2 3.23Å; G410-V414 PolarHBondContact O-N 2.65Å
411L89.1Confident83.9Confident95 Ų9597.3 Ų97.350%0.49752%0.519SS..Hα-helixtrans-62.1-40.5175.2-81.5166.8000112.7F407 F408 V414 G415F407-L411 HydrophobicContact CD1-CD1 3.8Å; F407-L411 HydrophobicContact CE1-CD1 3.45Å; F407-L411 VanDerWaalsContact CE1-CD1 3.45Å; F407-L411 HydrophobicContact CE1-CG 4.27Å; F407-L411 HydrophobicContact CZ-CD1 4.19Å; F407-L411 PolarHBondContact O-N 2.78Å; F408-L411 PolarHBondContact O-N 2.93Å; L411-V414 PolarHBondContact O-N 2.94Å; L411-G415 PolarHBondContact O-N 2.83Å
412I90.8Very high85Confident109 Ų109101.4 Ų101.456%0.55952%0.52SS*.Hα-helixtrans-64.3-42.3176.4-69.3164.7000110.8F408 C409 G410 G415 M416F408-I412 VanDerWaalsContact O-CG1 3.26Å; F408-I412 WeakPolarHBondContact O-CG1 3.46Å; F408-I412 PolarHBondContact O-N 3.28Å; C409-I412 PolarHBondContact O-N 2.6Å; G410-I412 PolarHBondContact O-N 3.15Å; I412-G415 PolarHBondContact O-N 3.02Å; I412-M416 HydrophobicContact CG2-CG 4.35Å; I412-M416 WeakPolarHBondContact O-CB 3.42Å; I412-M416 VanDerWaalsContact O-CG 3.25Å; I412-M416 WeakPolarHBondContact O-CG 3.34Å; I412-M416 PolarHBondContact O-N 3.01Å
413I91.6Very high85.7Confident104 Ų104100.5 Ų100.553%0.53352%0.517SS..Hα-helixtrans-63.5-45.7177.7-68.9164.3000110.6C409 G410 M416 L417C409-I413 VanDerWaalsContact O-CG1 3.27Å; C409-I413 WeakPolarHBondContact O-CG1 3.49Å; C409-I413 PolarHBondContact O-N 3.45Å; G410-I413 PolarHBondContact O-N 2.81Å; I413-M416 PolarHBondContact O-N 3.44Å; I413-L417 HydrophobicContact CG2-CD1 4.12Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 2.66Å
414V92.3Very high85.9Confident81 Ų81104.2 Ų104.249%0.49153%0.528SS..Hα-helixtrans-62.8-43.3176.5173.50000111G410 L411 M416 L417 L418G410-V414 WeakPolarHBondContact O-CG2 3.23Å; G410-V414 PolarHBondContact O-N 2.65Å; L411-V414 PolarHBondContact O-N 2.94Å; V414-M416 PolarHBondContact O-N 3.31Å; V414-L417 PolarHBondContact O-N 3.09Å; V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.22Å
415G91.6Very high85.5Confident29 Ų29104.7 Ų104.730%0.29953%0.53SS..Hα-helixtrans-60.9-43.7175.600000112.7L411 I412 L418 I419L411-G415 PolarHBondContact O-N 2.83Å; I412-G415 PolarHBondContact O-N 3.02Å; G415-L418 PolarHBondContact O-N 3.29Å; G415-I419 WeakPolarHBondContact O-CB 3.46Å; G415-I419 VanDerWaalsContact O-CG1 3.26Å; G415-I419 WeakPolarHBondContact O-CG1 3.48Å; G415-I419 PolarHBondContact O-N 3.44Å
416M90.1Very high84.5Confident115 Ų115103.8 Ų103.857%0.56754%0.542SS*.Hα-helixtrans-63.5-40.9176.2-75.9-80.4-91.600112I412 I413 V414 I419 L420I412-M416 HydrophobicContact CG2-CG 4.35Å; I412-M416 WeakPolarHBondContact O-CB 3.42Å; I412-M416 VanDerWaalsContact O-CG 3.25Å; I412-M416 WeakPolarHBondContact O-CG 3.34Å; I412-M416 PolarHBondContact O-N 3.01Å; I413-M416 PolarHBondContact O-N 3.44Å; V414-M416 PolarHBondContact O-N 3.31Å; M416-I419 PolarHBondContact O-N 2.95Å; M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 PolarHBondContact O-N 2.95Å
417L88.8Confident83.3Confident110 Ų110107.2 Ų107.258%0.57656%0.56SS**Hα-helixtrans-63.9-42.6175.8-74.2169.9000111.9I413 V414 L420 Q421I413-L417 HydrophobicContact CG2-CD1 4.12Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 2.66Å; V414-L417 PolarHBondContact O-N 3.09Å; L417-L420 PolarHBondContact O-N 2.81Å; L417-Q421 WeakPolarHBondContact O-CB 3.02Å; L417-Q421 PolarHBondContact O-N 3.36Å
418L89.4Confident81.8Confident107 Ų107110.2 Ų110.256%0.5658%0.58SS**Hα-helixtrans-65.2-39.4176.3-71170.7000112.2V414 G415 Q421 Y422V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.22Å; G415-L418 PolarHBondContact O-N 3.29Å; L418-Q421 PolarHBondContact O-N 2.74Å; L418-Y422 WeakPolarHBondContact O-CB 3.46Å; L418-Y422 PolarHBondContact O-N 2.83Å
419I88.5Confident81.7Confident94 Ų94109.4 Ų109.448%0.48258%0.581SS.*Hα-helixtrans-65.9-43.1175.1-70.7165.7000110.8G415 M416 Q421 Y422 L423G415-I419 WeakPolarHBondContact O-CB 3.46Å; G415-I419 VanDerWaalsContact O-CG1 3.26Å; G415-I419 WeakPolarHBondContact O-CG1 3.48Å; G415-I419 PolarHBondContact O-N 3.44Å; M416-I419 PolarHBondContact O-N 2.95Å; I419-Q421 VanDerWaalsContact C-N 3.32Å; I419-Q421 PolarHBondContact O-N 2.93Å; I419-Y422 PolarHBondContact O-N 3.03Å; I419-L423 HydrophobicContact CG2-CD1 3.57Å; I419-L423 HydrophobicContact CG2-CG 4.43Å; I419-L423 WeakPolarHBondContact O-CB 3.43Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 2.97Å
420L84.6Confident81.4Confident103 Ų103112.3 Ų112.354%0.53959%0.593SS.*Hα-helixtrans-62.1-42.1176-12399.7000111.4M416 L417 Y422 L423 F424M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 PolarHBondContact O-N 2.95Å; L417-L420 PolarHBondContact O-N 2.81Å; L420-Y422 VanDerWaalsContact C-N 3.31Å; L420-Y422 PolarHBondContact O-N 3.04Å; L420-L423 PolarHBondContact O-N 3.43Å; L420-F424 PolarHBondContact O-N 3.42Å
421Q82.3Confident81.1Confident114 Ų114116.7 Ų116.753%0.53361%0.607SS.*Hα-helixtrans-66.7-33.5178.6-167.7171.68.100112.2L417 L418 I419L417-Q421 WeakPolarHBondContact O-CB 3.02Å; L417-Q421 PolarHBondContact O-N 3.36Å; L418-Q421 PolarHBondContact O-N 2.74Å; I419-Q421 VanDerWaalsContact C-N 3.32Å; I419-Q421 PolarHBondContact O-N 2.93Å
422Y83Confident80.6Confident201 Ų201118 Ų11879%0.78861%0.614SS**Hα-helixtrans-72.1-40.1173.6-177-100.6000112.8L418 I419 L420L418-Y422 WeakPolarHBondContact O-CB 3.46Å; L418-Y422 PolarHBondContact O-N 2.83Å; I419-Y422 PolarHBondContact O-N 3.03Å; L420-Y422 VanDerWaalsContact C-N 3.31Å; L420-Y422 PolarHBondContact O-N 3.04Å
423L81.3Confident80Confident109 Ų109118.6 Ų118.657%0.57162%0.617SS**Hα-helixtrans-79.3-28.5-178-74.1164.6000113.5I419 L420I419-L423 HydrophobicContact CG2-CD1 3.57Å; I419-L423 HydrophobicContact CG2-CG 4.43Å; I419-L423 WeakPolarHBondContact O-CB 3.43Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 2.97Å; L420-L423 PolarHBondContact O-N 3.43Å
424F80.3Confident79.2Confident131 Ų131119.5 Ų119.558%0.57562%0.623SS**  trans-130.573.1-178.2-59.8-78.7000111.8L420 V426L420-F424 PolarHBondContact O-N 3.42Å; F424-V426 PolarHBondContact O-N 3.19Å
425P70Confident78.2Confident104 Ų104122.3 Ų122.368%0.67563%0.632SS**THydrogen-bonded Turntrans-70.4-1.7-176.224.8-31.8000115.1
426V59Low77.2Confident137 Ų137129.5 Ų129.583%0.8366%0.658SS**THydrogen-bonded Turntrans-111.19.2-170.4-171.80000113.2F424F424-V426 PolarHBondContact O-N 3.19Å
427L55.8Low76.2Confident152 Ų152130.7 Ų130.780%0.79667%0.665SS**  trans-120.824.7-173.6-119.7138.3000115.6
428I50.9Low75Confident206 Ų206132.5 Ų132.5100%1.05667%0.673SS**  trans-125.20165.4-63.5175.9000109.1

Retrieved 428 of 428 residues in 239.8 ms (Link to these results)