A0A077Z2K5_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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
1M71.4Confident88.9Confident157 Ų15759.2 Ų59.277%0.77327%0.271SS*.  0135.50177.1-110.7-8200107.6Q3 L401M1-Q3 HydrophobicContact SD-CB 4.16Å; M1-L401 WeakPolarHBondContact CA-O 3.49Å
2I82.4Confident89.3Confident21 Ų2154.5 Ų54.511%0.10825%0.251CS..EExtended strand (participates in β ladder)trans-121.5129.8179.1-44.1157.9000106L43 P50 L52 Q400 L401I2-L43 HydrophobicContact CD1-CD1 4.24Å; I2-P50 HydrophobicContact CD1-CB 3.3Å; I2-P50 HydrophobicContact CD1-CG 3.23Å; I2-P50 HydrophobicContact CG1-CB 3.98Å; I2-P50 HydrophobicContact CG1-CG 3.36Å; I2-L52 HydrophobicContact CG2-CD1 3.43Å; I2-L52 VanDerWaalsContact CG2-CD1 3.43Å; I2-Q400 CarbonylContact O-C 3.57Å; I2-Q400 WeakPolarHBondContact O-CA 3.13Å; I2-L401 HydrophobicContact CB-CB 4.02Å; I2-L401 HydrophobicContact CB-CD1 4.14Å; I2-L401 HydrophobicContact CD1-CB 3.93Å; I2-L401 HydrophobicContact CD1-CD1 3.51Å; I2-L401 HydrophobicContact CD1-CG 4.34Å; I2-L401 HydrophobicContact CG1-CB 4.26Å; I2-L401 HydrophobicContact CG1-CD1 4.41Å; I2-L401 PolarHBondContact N-O 2.87Å; I2-L401 PolarHBondContact O-N 3.22Å
3Q86.7Confident89.8Confident91 Ų9150.3 Ų50.343%0.42523%0.232SC..EExtended strand (participates in β ladder)trans-131.2140.1-179.6179.1176.38.800109.5M1 C399 Q400M1-Q3 HydrophobicContact SD-CB 4.16Å; Q3-C399 WeakPolarHBondContact CA-O 3.43Å; Q3-Q400 HydrophobicContact CB-CG 4.14Å; Q3-Q400 HydrophobicContact CG-CG 3.9Å
4W89.6Confident90.1Very high30 Ų3049.4 Ų49.411%0.11423%0.227CC..EExtended strand (participates in β ladder)trans-140.4169.3167.167.2104.8000109.7I21 Y41 L52 V391 C399 L401W4-I21 HydrophobicContact CH2-CD1 4.02Å; W4-Y41 AromaticContact CD1-CE1 3.91Å; W4-Y41 AromaticContact CD1-CZ 3.91Å; W4-Y41 AromaticContact NE1-CD2 3.93Å; W4-Y41 AromaticContact NE1-CE1 3.85Å; W4-Y41 AromaticContact NE1-CE2 3.74Å; W4-Y41 AromaticContact NE1-CZ 3.7Å; W4-L52 HydrophobicContact CD2-CD1 4.23Å; W4-L52 HydrophobicContact CD2-CD2 3.89Å; W4-L52 HydrophobicContact CE3-CD1 3.61Å; W4-L52 HydrophobicContact CE3-CD2 3.82Å; W4-L52 HydrophobicContact CE3-CG 4.33Å; W4-L52 HydrophobicContact CH2-CD1 4.39Å; W4-L52 HydrophobicContact CH2-CD2 3.39Å; W4-L52 HydrophobicContact CZ2-CD2 3.42Å; W4-L52 VanDerWaalsContact CZ2-CD2 3.42Å; W4-L52 HydrophobicContact CZ3-CD1 3.73Å; W4-L52 HydrophobicContact CZ3-CD2 3.6Å; W4-L52 HydrophobicContact CZ3-CG 4.34Å; W4-V391 HydrophobicContact CH2-CG1 4.38Å; W4-C399 HydrophobicContact CD2-CB 3.84Å; W4-C399 VanDerWaalsContact CE2-CB 3.48Å; W4-C399 HydrophobicContact CE3-CB 4.26Å; W4-C399 HydrophobicContact CG-CB 4.41Å; W4-C399 HydrophobicContact CH2-CB 4.07Å; W4-C399 WeakPolarHBondContact CH2-SG 3.11Å; W4-C399 HydrophobicContact CZ2-CB 3.65Å; W4-C399 WeakPolarHBondContact CZ2-SG 3.47Å; W4-C399 HydrophobicContact CZ3-CB 4.35Å; W4-C399 PolarHBondContact N-O 2.72Å; W4-C399 PolarHBondContact O-N 3.05Å; W4-L401 HydrophobicContact CH2-CD1 3.98Å; W4-L401 HydrophobicContact CH2-CG 4.05Å; W4-L401 HydrophobicContact CZ3-CD1 3.69Å; W4-L401 HydrophobicContact CZ3-CG 3.81Å
5R91.4Very high90.2Very high176 Ų17646.7 Ų46.766%0.66422%0.216SC*.EExtended strand (participates in β ladder)trans-126.6146179.8-67.9-175.2176.2-137.7-0.2110.9N397R5-N397 CarbonylContact C-O 3.49Å; R5-N397 WeakPolarHBondContact CA-O 3.47Å; R5-N397 WeakPolarHBondContact CB-O 3.38Å
6T91.2Very high90Very high14 Ų1443.8 Ų43.89%0.08620%0.203CC..  trans-101.2168.9169.952.80000109.7F8 M10 V23 N397T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 HydrophobicContact CG2-CE1 4.01Å; T6-F8 HydrophobicContact CG2-CZ 4.07Å; T6-F8 PolarHBondContact OG1-O 2.98Å; T6-M10 HydrophobicContact CG2-CE 4.21Å; T6-M10 HydrophobicContact CG2-CG 4.3Å; T6-M10 HydrophobicContact CG2-SD 3.65Å; T6-M10 WeakPolarHBondContact OG1-CE 3.31Å; T6-V23 HydrophobicContact CG2-CG2 4.3Å; T6-N397 PolarHBondContact N-O 3.35Å; T6-N397 WeakPolarHBondContact O-CB 3.46Å; T6-N397 PolarHBondContact OG1-O 3.2Å
7N90.4Very high89.4Confident90 Ų9042.5 Ų42.548%0.48120%0.204SC..SBendtrans-94.811.9172.661.2-20.4000112.8
8F92.4Very high88.7Confident0 Ų042.6 Ų42.60%020%0.204CC..SBendtrans-142.6151.5177.962.8-87.4000110.6T6 M10 V23 V34 P35 C37 E39 N397T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 HydrophobicContact CG2-CE1 4.01Å; T6-F8 HydrophobicContact CG2-CZ 4.07Å; T6-F8 PolarHBondContact OG1-O 2.98Å; F8-M10 HydrophobicContact CD2-CG 4.36Å; F8-M10 HydrophobicContact CE2-CG 3.89Å; F8-V23 HydrophobicContact CZ-CG2 4.26Å; F8-V34 HydrophobicContact CB-CG1 3.85Å; F8-P35 HydrophobicContact CB-CG 4.29Å; F8-P35 WeakPolarHBondContact CB-O 3.36Å; F8-C37 WeakPolarHBondContact CD1-SG 3.26Å; F8-C37 WeakPolarHBondContact CE1-SG 3.48Å; F8-E39 HydrophobicContact CE1-CG 3.91Å; F8-E39 HydrophobicContact CZ-CG 4.11Å; F8-N397 PolarHBondContact O-OD1 2.88Å
9P93.2Very high88.1Confident18 Ų1841.9 Ų41.912%0.11720%0.201CC..  trans-69.7132177.329.8-35.3000110Y11 G25 G26 A395 N397P9-Y11 HydrophobicContact CB-CE1 4.29Å; P9-Y11 HydrophobicContact CG-CE2 4.5Å; P9-Y11 WeakPolarHBondContact CG-OH 3.49Å; P9-G25 CarbonylContact O-C 3.59Å; P9-G25 VanDerWaalsContact O-CA 3.27Å; P9-G25 WeakPolarHBondContact O-CA 3.48Å; P9-G26 VanDerWaalsContact CG-O 3.23Å; P9-G26 WeakPolarHBondContact CG-O 3.44Å; P9-G26 PolarHBondContact O-N 3.27Å; P9-A395 HydrophobicContact CB-CB 3.81Å; P9-N397 WeakPolarHBondContact CA-OD1 3Å; P9-N397 VanDerWaalsContact N-OD1 3.07Å
10M95Very high88.1Confident0 Ų041.7 Ų41.70%020%0.2CC..EExtended strand (participates in β ladder)trans-95.8131.8-177.1-68.4172.7-73.800110.5T6 F8 V23 T363 V393 S394 N397 S398 C399T6-M10 HydrophobicContact CG2-CE 4.21Å; T6-M10 HydrophobicContact CG2-CG 4.3Å; T6-M10 HydrophobicContact CG2-SD 3.65Å; T6-M10 WeakPolarHBondContact OG1-CE 3.31Å; F8-M10 HydrophobicContact CD2-CG 4.36Å; F8-M10 HydrophobicContact CE2-CG 3.89Å; M10-V23 HydrophobicContact CG-CB 4.26Å; M10-V23 HydrophobicContact SD-CB 3.8Å; M10-V23 HydrophobicContact SD-CG1 3.9Å; M10-V23 HydrophobicContact SD-CG2 4.04Å; M10-T363 WeakPolarHBondContact O-CB 3.39Å; M10-T363 WeakPolarHBondContact O-CG2 3.19Å; M10-T363 PolarHBondContact O-OG1 2.84Å; M10-V393 HydrophobicContact CB-CB 3.81Å; M10-V393 HydrophobicContact CB-CG1 4.24Å; M10-V393 HydrophobicContact CB-CG2 4.2Å; M10-V393 HydrophobicContact CE-CB 4.28Å; M10-V393 HydrophobicContact CE-CG1 4.13Å; M10-V393 HydrophobicContact SD-CB 4.19Å; M10-V393 HydrophobicContact SD-CG1 3.68Å; M10-S394 PolarHBondContact N-O 2.84Å; M10-S394 CarbonylContact O-C 3.6Å; M10-N397 VanDerWaalsContact CE-C 3.42Å; M10-S398 WeakPolarHBondContact CE-O 3.32Å; M10-C399 HydrophobicContact CE-CB 3.91Å; M10-C399 HydrophobicContact SD-CB 4.14Å
11Y94.1Very high88.2Confident54 Ų5439.7 Ų39.721%0.21219%0.19CC..EExtended strand (participates in β ladder)trans-113.2-20.3177.8-53.5-54.5000113P9 A24 G26 A64 T65 M66 T363 S364 A395P9-Y11 HydrophobicContact CB-CE1 4.29Å; P9-Y11 HydrophobicContact CG-CE2 4.5Å; P9-Y11 WeakPolarHBondContact CG-OH 3.49Å; Y11-A24 PolarHBondContact N-O 3.41Å; Y11-G26 WeakPolarHBondContact CE2-O 3.28Å; Y11-G26 PolarHBondContact OH-O 3.41Å; Y11-A64 HydrophobicContact CE2-CB 4.34Å; Y11-T65 WeakPolarHBondContact CD2-O 3.26Å; Y11-M66 HydrophobicContact CD1-CE 4.41Å; Y11-M66 HydrophobicContact CD2-CE 4.17Å; Y11-M66 HydrophobicContact CD2-SD 3.44Å; Y11-M66 WeakPolarHBondContact CD2-SD 3.26Å; Y11-M66 HydrophobicContact CE2-CE 4.35Å; Y11-M66 HydrophobicContact CE2-SD 3.63Å; Y11-M66 HydrophobicContact CG-CE 4.21Å; Y11-M66 HydrophobicContact CG-SD 4.02Å; Y11-T363 HydrophobicContact CD1-CG2 4.2Å; Y11-S364 WeakPolarHBondContact O-CB 3.4Å; Y11-A395 HydrophobicContact CE1-CB 4.05Å
12G93.3Very high89.3Confident3 Ų332.2 Ų32.23%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-134.5144.4177.400000112.4V23 A24 M68G12-V23 WeakPolarHBondContact O-CA 2.94Å; G12-A24 PolarHBondContact N-O 3.44Å; G12-A24 PolarHBondContact O-N 3.44Å; G12-M68 VanDerWaalsContact O-CE 3.24Å; G12-M68 WeakPolarHBondContact O-CE 2.97Å
13V96.1Very high89.9Confident0 Ų031.2 Ų31.20%015%0.148CC..EExtended strand (participates in β ladder)trans-135.3139.3164.865.90000110.2I21 I22 V23 M68 S364 D366 V391 V393V13-I21 HydrophobicContact CG2-CG2 3.61Å; V13-I22 WeakPolarHBondContact CA-O 3.15Å; V13-V23 HydrophobicContact CB-CG1 4.4Å; V13-V23 HydrophobicContact CG2-CG1 3.97Å; V13-M68 VanDerWaalsContact CA-CE 3.48Å; V13-M68 VanDerWaalsContact N-CE 3.32Å; V13-S364 PolarHBondContact N-OG 3.19Å; V13-D366 HydrophobicContact CG1-CB 4.38Å; V13-V391 HydrophobicContact CG2-CB 4.24Å; V13-V391 HydrophobicContact CG2-CG1 3.78Å; V13-V393 HydrophobicContact CB-CB 4.38Å; V13-V393 HydrophobicContact CB-CG1 3.75Å; V13-V393 HydrophobicContact CB-CG2 3.71Å; V13-V393 HydrophobicContact CG1-CG1 4.24Å; V13-V393 HydrophobicContact CG1-CG2 3.73Å; V13-V393 HydrophobicContact CG2-CG1 4.12Å
14K94.6Very high90.2Very high37 Ų3726.9 Ų26.916%0.16113%0.128CC..EExtended strand (participates in β ladder)trans-141.5143.4173-72.4-64.4-172.6-162.70111.8I22 M68 V70 D366K14-I22 HydrophobicContact CB-CG2 3.77Å; K14-I22 PolarHBondContact N-O 3.27Å; K14-I22 WeakPolarHBondContact O-CG2 3.33Å; K14-I22 PolarHBondContact O-N 3.47Å; K14-M68 HydrophobicContact CB-CE 4.32Å; K14-M68 HydrophobicContact CG-CE 4.17Å; K14-M68 HydrophobicContact CG-CG 4.11Å; K14-M68 HydrophobicContact CG-SD 4.26Å; K14-V70 HydrophobicContact CB-CG2 3.6Å; K14-V70 HydrophobicContact CG-CG2 3.83Å; K14-D366 VanDerWaalsContact CA-OD2 3.28Å; K14-D366 WeakPolarHBondContact CA-OD2 3.46Å; K14-D366 HydrophobicContact CD-CB 4.41Å; K14-D366 VanDerWaalsContact CD-OD2 3.29Å; K14-D366 WeakPolarHBondContact CD-OD2 3.43Å
15A91.1Very high90.4Very high9 Ų925.5 Ų25.57%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-82.4120.217100000110.3D366 F367 L368A15-D366 PolarHBondContact N-OD2 3.45Å; A15-F367 WeakPolarHBondContact CB-O 3.49Å; A15-L368 HydrophobicContact CB-CD2 3.92Å
16L86.4Confident90.3Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-94.5105.2173.5-60.1-173000108.8E18 H20 I22 V40 V70 F80 L82 V100L16-E18 PolarHBondContact O-N 3.25Å; L16-H20 HydrophobicContact CB-CB 3.72Å; L16-H20 PolarHBondContact N-O 3.4Å; L16-H20 WeakPolarHBondContact O-CB 3.31Å; L16-H20 PolarHBondContact O-N 2.97Å; L16-I22 HydrophobicContact CD1-CB 3.92Å; L16-I22 HydrophobicContact CD1-CG2 4.16Å; L16-I22 HydrophobicContact CD2-CG2 3.85Å; L16-I22 HydrophobicContact CG-CB 4.07Å; L16-I22 HydrophobicContact CG-CG2 3.85Å; L16-V40 HydrophobicContact CD1-CG1 4.33Å; L16-V40 HydrophobicContact CD1-CG2 4.12Å; L16-V70 HydrophobicContact CD2-CB 4.19Å; L16-V70 HydrophobicContact CD2-CG1 3.37Å; L16-V70 HydrophobicContact CD2-CG2 3.83Å; L16-F80 HydrophobicContact CB-CD2 4.25Å; L16-F80 HydrophobicContact CB-CE1 4.38Å; L16-F80 HydrophobicContact CB-CE2 4.09Å; L16-F80 HydrophobicContact CB-CG 4.47Å; L16-F80 HydrophobicContact CB-CZ 4.16Å; L16-F80 HydrophobicContact CD1-CD2 4.43Å; L16-F80 HydrophobicContact CD2-CB 4.3Å; L16-F80 HydrophobicContact CD2-CD1 4.28Å; L16-F80 HydrophobicContact CD2-CG 4.12Å; L16-L82 HydrophobicContact CD2-CD2 4.13Å; L16-V100 HydrophobicContact CD1-CG1 4.45Å
17G80.5Confident90.1Very high22 Ų2217.3 Ų17.323%0.22710%0.096CC..THydrogen-bonded Turntrans63.8-129.1-176.700000112K326 P369G17-K326 PolarHBondContact O-NZ 3.46Å; G17-P369 WeakPolarHBondContact O-CD 3.47Å; G17-P369 WeakPolarHBondContact O-CG 3.46Å
18E76.3Confident89.7Confident44 Ų4413.6 Ų13.621%0.2068%0.079CC..THydrogen-bonded Turntrans-104.9-36-173.9-67.1171.3-161.400113.5L16 P369 P372 P373 S376 L381L16-E18 PolarHBondContact O-N 3.25Å; E18-P369 HydrophobicContact CG-CG 4.22Å; E18-P372 HydrophobicContact CG-CB 3.86Å; E18-P372 WeakPolarHBondContact OE2-CB 3.24Å; E18-P373 WeakPolarHBondContact OE1-CD 3.14Å; E18-P373 WeakPolarHBondContact OE1-CG 3.48Å; E18-S376 VanDerWaalsContact OE2-CB 3.23Å; E18-S376 WeakPolarHBondContact OE2-CB 3.44Å; E18-S376 PolarHBondContact OE2-OG 2.9Å; E18-L381 VanDerWaalsContact O-CD1 3.26Å; E18-L381 WeakPolarHBondContact O-CD1 3.39Å
19H78.3Confident88.7Confident31 Ų3119.1 Ų19.114%0.14410%0.104CC..THydrogen-bonded Turntrans-118.6-2-168.5-60.7-86.8000114.4L43 L381H19-L43 PolarHBondContact O-N 2.84Å; H19-L381 HydrophobicContact CB-CD1 4.18Å; H19-L381 WeakPolarHBondContact ND1-CD1 3.5Å; H19-L381 WeakPolarHBondContact ND1-CD2 3.46Å; H19-L381 WeakPolarHBondContact ND1-CG 3.31Å
20H86.6Confident87.4Confident37 Ų3721.8 Ų21.817%0.17112%0.123CC..EExtended strand (participates in β ladder)trans-115.7140.2-173.8-55.6108.3000110.6L16 V40 Y41 L55L16-H20 HydrophobicContact CB-CB 3.72Å; L16-H20 PolarHBondContact N-O 3.4Å; L16-H20 WeakPolarHBondContact O-CB 3.31Å; L16-H20 PolarHBondContact O-N 2.97Å; H20-V40 HydrophobicContact CB-CG1 4.38Å; H20-Y41 CarbonylContact C-O 3.54Å; H20-Y41 WeakPolarHBondContact CA-O 3.12Å; H20-L55 WeakPolarHBondContact CD2-CD1 3.48Å
21I91.6Very high86Confident0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-124.4128.2176-61.8169.9000106.9W4 V13 V23 V40 Y41 L368 V391 L401W4-I21 HydrophobicContact CH2-CD1 4.02Å; V13-I21 HydrophobicContact CG2-CG2 3.61Å; I21-V23 HydrophobicContact CG2-CG1 4.27Å; I21-V40 WeakPolarHBondContact O-CA 3.36Å; I21-Y41 PolarHBondContact N-O 2.94Å; I21-Y41 PolarHBondContact O-N 3.09Å; I21-L368 HydrophobicContact CD1-CD1 4.48Å; I21-L368 HydrophobicContact CD1-CD2 4.36Å; I21-L368 HydrophobicContact CG1-CD2 4.04Å; I21-V391 HydrophobicContact CD1-CG1 4.15Å; I21-V391 HydrophobicContact CD1-CG2 4.07Å; I21-V391 HydrophobicContact CG2-CG1 4.22Å; I21-L401 HydrophobicContact CD1-CD1 4.14Å; I21-L401 HydrophobicContact CD1-CD2 3.93Å; I21-L401 HydrophobicContact CD1-CG 4.44Å
22I93.3Very high85.1Confident0 Ų032.5 Ų32.50%018%0.179CC..EExtended strand (participates in β ladder)trans-103.8133.7169.9-170.3166.5000109.8V13 K14 L16 L38 E39 V40 M68 V70 L82 F144V13-I22 WeakPolarHBondContact CA-O 3.15Å; K14-I22 HydrophobicContact CB-CG2 3.77Å; K14-I22 PolarHBondContact N-O 3.27Å; K14-I22 WeakPolarHBondContact O-CG2 3.33Å; K14-I22 PolarHBondContact O-N 3.47Å; L16-I22 HydrophobicContact CD1-CB 3.92Å; L16-I22 HydrophobicContact CD1-CG2 4.16Å; L16-I22 HydrophobicContact CD2-CG2 3.85Å; L16-I22 HydrophobicContact CG-CB 4.07Å; L16-I22 HydrophobicContact CG-CG2 3.85Å; I22-L38 HydrophobicContact CD1-CB 4.41Å; I22-L38 HydrophobicContact CD1-CD2 3.74Å; I22-L38 HydrophobicContact CG1-CD2 4.26Å; I22-E39 WeakPolarHBondContact CA-O 3.44Å; I22-V40 HydrophobicContact CB-CG2 4.03Å; I22-V40 HydrophobicContact CD1-CG2 3.86Å; I22-V40 HydrophobicContact CG1-CG2 3.83Å; I22-M68 HydrophobicContact CG2-CE 4.16Å; I22-M68 HydrophobicContact CG2-SD 4.13Å; I22-V70 HydrophobicContact CG2-CG2 4.49Å; I22-L82 HydrophobicContact CD1-CD1 3.39Å; I22-L82 HydrophobicContact CD1-CD2 4.15Å; I22-L82 HydrophobicContact CD1-CG 4.44Å; I22-F144 HydrophobicContact CD1-CE1 4.15Å
23V95.2Very high84.5Confident0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-119.9143.3171.9-62.60000109.2T6 F8 M10 G12 V13 I21 L38 E39 Y41 V393T6-V23 HydrophobicContact CG2-CG2 4.3Å; F8-V23 HydrophobicContact CZ-CG2 4.26Å; M10-V23 HydrophobicContact CG-CB 4.26Å; M10-V23 HydrophobicContact SD-CB 3.8Å; M10-V23 HydrophobicContact SD-CG1 3.9Å; M10-V23 HydrophobicContact SD-CG2 4.04Å; G12-V23 WeakPolarHBondContact O-CA 2.94Å; V13-V23 HydrophobicContact CB-CG1 4.4Å; V13-V23 HydrophobicContact CG2-CG1 3.97Å; I21-V23 HydrophobicContact CG2-CG1 4.27Å; V23-L38 WeakPolarHBondContact O-CA 3.41Å; V23-E39 HydrophobicContact CG2-CB 4Å; V23-E39 PolarHBondContact N-O 3.27Å; V23-E39 PolarHBondContact O-N 3.03Å; V23-Y41 HydrophobicContact CG2-CD2 4.09Å; V23-Y41 HydrophobicContact CG2-CE2 3.64Å; V23-V393 HydrophobicContact CG1-CG1 3.95Å
24A93.8Very high84Confident0 Ų038.4 Ų38.40%023%0.23CC..EExtended strand (participates in β ladder)trans-138.8144.2-177.400000110.6Y11 G12 L38 T65 M68Y11-A24 PolarHBondContact N-O 3.41Å; G12-A24 PolarHBondContact N-O 3.44Å; G12-A24 PolarHBondContact O-N 3.44Å; A24-L38 HydrophobicContact CB-CD2 3.73Å; A24-L38 HydrophobicContact CB-CG 3.74Å; A24-T65 HydrophobicContact CB-CG2 3.71Å; A24-M68 HydrophobicContact CB-CE 3.92Å; A24-M68 HydrophobicContact CB-SD 4.05Å
25G92.8Very high83.7Confident0 Ų038.2 Ų38.20%023%0.232CC..EExtended strand (participates in β ladder)trans172-156.9175.600000113.5P9 C37P9-G25 CarbonylContact O-C 3.59Å; P9-G25 VanDerWaalsContact O-CA 3.27Å; P9-G25 WeakPolarHBondContact O-CA 3.48Å; G25-C37 PolarHBondContact N-O 3.41Å; G25-C37 PolarHBondContact O-N 3.02Å
26G90.7Very high83.6Confident0 Ų038.3 Ų38.30%023%0.232CC..  trans154173.6179.100000116.4P9 Y11 G28 P35 N36P9-G26 VanDerWaalsContact CG-O 3.23Å; P9-G26 WeakPolarHBondContact CG-O 3.44Å; P9-G26 PolarHBondContact O-N 3.27Å; Y11-G26 WeakPolarHBondContact CE2-O 3.28Å; Y11-G26 PolarHBondContact OH-O 3.41Å; G26-G28 PolarHBondContact O-N 3.38Å; G26-P35 WeakPolarHBondContact CA-O 3.3Å; G26-N36 VanDerWaalsContact C-OD1 3.28Å; G26-N36 WeakPolarHBondContact CA-OD1 3.28Å
27G86.6Confident83.8Confident18 Ų1838.3 Ų38.319%0.18623%0.232CC..  trans-78-0.6178.500000115.2S30 N36G27-S30 PolarHBondContact O-OG 3.08Å; G27-N36 PolarHBondContact N-OD1 3.12Å
28G81.7Confident84.3Confident12 Ų1237.2 Ų37.212%0.12422%0.221CC..THydrogen-bonded Turntrans75.7-155.7-175.600000112.2G26 S30 N36G26-G28 PolarHBondContact O-N 3.38Å; G28-S30 PolarHBondContact O-N 3.42Å; G28-N36 PolarHBondContact N-OD1 3.34Å; G28-N36 PolarHBondContact O-ND2 3.31Å
29H70.8Confident85.1Confident117 Ų11735.1 Ų35.154%0.54221%0.211SC..THydrogen-bonded Turntrans-74.9-12.9177.1-165.678.1000113.3K31 N89H29-K31 PolarHBondContact O-N 2.89Å; H29-N89 PolarHBondContact CE1-OD1 2.74Å; H29-N89 PolarHBondContact ND1-OD1 3.18Å
30S66.6Low85.8Confident73 Ų7333.7 Ų33.751%0.5120%0.204SC..SBendtrans-60.4129.2179.272.80000109.6G27 G28 S32G27-S30 PolarHBondContact O-OG 3.08Å; G28-S30 PolarHBondContact O-N 3.42Å; S30-S32 PolarHBondContact O-N 2.82Å; S30-S32 PolarHBondContact O-OG 3Å; S30-S32 PolarHBondContact OG-OG 3.3Å
31K65.5Low85.9Confident213 Ų21332.6 Ų32.693%0.92620%0.199SC*.  trans-71.146.7173.6-66.7-177.3179.2177.50111.4H29 G33H29-K31 PolarHBondContact O-N 2.89Å; K31-G33 PolarHBondContact O-N 3.39Å
32S74.5Confident85.7Confident66 Ų6632.8 Ų32.846%0.46220%0.201SC..SBendtrans-75.8-11.1-17854.80000113.1S30 V34S30-S32 PolarHBondContact O-N 2.82Å; S30-S32 PolarHBondContact O-OG 3Å; S30-S32 PolarHBondContact OG-OG 3.3Å; S32-V34 PolarHBondContact O-N 3.26Å
33G81.4Confident85.1Confident77 Ų7733.2 Ų33.279%0.79420%0.203SC*.SBendtrans81.8-1.2-173.300000113.9K31K31-G33 PolarHBondContact O-N 3.39Å
34V86.2Confident84.1Confident50 Ų5037 Ų3730%0.30322%0.221SC..  trans-80.9125.3176.3-179.10000109.5F8 S32F8-V34 HydrophobicContact CB-CG1 3.85Å; S32-V34 PolarHBondContact O-N 3.26Å
35P87.4Confident82.7Confident33 Ų3340.6 Ų40.621%0.21424%0.235CC..  trans-70.5144.5-178.928.5-33.3000111.7F8 G26F8-P35 HydrophobicContact CB-CG 4.29Å; F8-P35 WeakPolarHBondContact CB-O 3.36Å; G26-P35 WeakPolarHBondContact CA-O 3.3Å
36N90.1Very high81.2Confident11 Ų1142.4 Ų42.46%0.05925%0.25CC..  trans-96.3116165.1-56.2-50.9000108G26 G27 G28 T60 G61G26-N36 VanDerWaalsContact C-OD1 3.28Å; G26-N36 WeakPolarHBondContact CA-OD1 3.28Å; G27-N36 PolarHBondContact N-OD1 3.12Å; G28-N36 PolarHBondContact N-OD1 3.34Å; G28-N36 PolarHBondContact O-ND2 3.31Å; N36-T60 VanDerWaalsContact C-OG1 3.28Å; N36-T60 VanDerWaalsContact CB-OG1 3.3Å; N36-T60 WeakPolarHBondContact CB-OG1 3.41Å; N36-T60 PolarHBondContact O-N 3.39Å; N36-T60 PolarHBondContact O-OG1 2.74Å; N36-G61 WeakPolarHBondContact CB-O 3.38Å; N36-G61 PolarHBondContact ND2-O 3.24Å
37C90.2Very high79.9Confident0 Ų049.8 Ų49.80%029%0.289CS..EExtended strand (participates in β ladder)trans-158.9168.7-17461.50000113.3F8 G25 R57 M58F8-C37 WeakPolarHBondContact CD1-SG 3.26Å; F8-C37 WeakPolarHBondContact CE1-SG 3.48Å; G25-C37 PolarHBondContact N-O 3.41Å; G25-C37 PolarHBondContact O-N 3.02Å; C37-R57 HydrophobicContact CB-CG 4.44Å; C37-M58 CarbonylContact C-O 3.6Å; C37-M58 WeakPolarHBondContact CA-O 3.49Å; C37-M58 VanDerWaalsContact CB-O 3.23Å; C37-M58 WeakPolarHBondContact CB-O 3.24Å
38L91.7Very high78.8Confident0 Ų058 Ų580%032%0.32CS..EExtended strand (participates in β ladder)trans-114.8142.4166.6-65.994.9000109I22 V23 A24 R57 M58 T60 L82 L84 F144I22-L38 HydrophobicContact CD1-CB 4.41Å; I22-L38 HydrophobicContact CD1-CD2 3.74Å; I22-L38 HydrophobicContact CG1-CD2 4.26Å; V23-L38 WeakPolarHBondContact O-CA 3.41Å; A24-L38 HydrophobicContact CB-CD2 3.73Å; A24-L38 HydrophobicContact CB-CG 3.74Å; L38-R57 CarbonylContact O-C 3.58Å; L38-R57 VanDerWaalsContact O-CA 3.26Å; L38-R57 WeakPolarHBondContact O-CA 3.36Å; L38-M58 HydrophobicContact CD1-CE 3.49Å; L38-M58 VanDerWaalsContact CD1-CE 3.49Å; L38-M58 HydrophobicContact CG-CE 4.44Å; L38-M58 PolarHBondContact N-O 2.87Å; L38-M58 PolarHBondContact O-N 2.82Å; L38-T60 HydrophobicContact CD1-CG2 3.22Å; L38-L82 HydrophobicContact CD2-CD1 4.39Å; L38-L84 HydrophobicContact CD1-CD1 3.59Å; L38-L84 HydrophobicContact CD2-CD1 3.64Å; L38-L84 HydrophobicContact CD2-CD2 3.54Å; L38-L84 HydrophobicContact CD2-CG 4.23Å; L38-L84 HydrophobicContact CG-CD1 4.29Å; L38-F144 HydrophobicContact CB-CE1 4.38Å
39E92.7Very high78Confident0 Ų066.8 Ų66.80%035%0.349CS..EExtended strand (participates in β ladder)trans-130.6134.7174.4-65.8-172.4146.800109.7F8 I22 V23 Y41 K54 G56 R57F8-E39 HydrophobicContact CE1-CG 3.91Å; F8-E39 HydrophobicContact CZ-CG 4.11Å; I22-E39 WeakPolarHBondContact CA-O 3.44Å; V23-E39 HydrophobicContact CG2-CB 4Å; V23-E39 PolarHBondContact N-O 3.27Å; V23-E39 PolarHBondContact O-N 3.03Å; E39-Y41 HydrophobicContact CB-CD2 4.29Å; E39-Y41 HydrophobicContact CB-CE2 3.57Å; E39-Y41 PolarHBondContact OE2-OH 3.31Å; E39-K54 WeakPolarHBondContact OE1-CE 3.39Å; E39-K54 IonicContact OE1-NZ 2.67Å; E39-K54 PolarHBondContact OE1-NZ 2.81Å; E39-K54 IonicContact OE2-NZ 3.1Å; E39-G56 WeakPolarHBondContact CA-O 3.47Å; E39-R57 HydrophobicContact CG-CB 4.34Å; E39-R57 HydrophobicContact CG-CG 4.12Å
40V91.5Very high78Confident0 Ų062.9 Ų62.90%033%0.334CS..EExtended strand (participates in β ladder)trans-106.5130.3174.1176.40000108.6L16 H20 I21 I22 L55 G56 M142 F144L16-V40 HydrophobicContact CD1-CG1 4.33Å; L16-V40 HydrophobicContact CD1-CG2 4.12Å; H20-V40 HydrophobicContact CB-CG1 4.38Å; I21-V40 WeakPolarHBondContact O-CA 3.36Å; I22-V40 HydrophobicContact CB-CG2 4.03Å; I22-V40 HydrophobicContact CD1-CG2 3.86Å; I22-V40 HydrophobicContact CG1-CG2 3.83Å; V40-L55 HydrophobicContact CG1-CB 4.43Å; V40-L55 PolarHBondContact O-N 2.9Å; V40-G56 PolarHBondContact N-O 2.84Å; V40-G56 PolarHBondContact O-N 3.46Å; V40-M142 HydrophobicContact CB-CB 4.43Å; V40-M142 HydrophobicContact CG1-CB 4.34Å; V40-M142 HydrophobicContact CG1-CG 3.93Å; V40-F144 HydrophobicContact CB-CZ 4.41Å; V40-F144 HydrophobicContact CG2-CE1 4.07Å; V40-F144 HydrophobicContact CG2-CZ 3.56Å
41Y90.1Very high78.5Confident15 Ų1566 Ų666%0.05934%0.335CS..EExtended strand (participates in β ladder)trans-115.2131.1178.6-67.6-92000109.6W4 H20 I21 V23 E39 L52 T53 K54W4-Y41 AromaticContact CD1-CE1 3.91Å; W4-Y41 AromaticContact CD1-CZ 3.91Å; W4-Y41 AromaticContact NE1-CD2 3.93Å; W4-Y41 AromaticContact NE1-CE1 3.85Å; W4-Y41 AromaticContact NE1-CE2 3.74Å; W4-Y41 AromaticContact NE1-CZ 3.7Å; H20-Y41 CarbonylContact C-O 3.54Å; H20-Y41 WeakPolarHBondContact CA-O 3.12Å; I21-Y41 PolarHBondContact N-O 2.94Å; I21-Y41 PolarHBondContact O-N 3.09Å; V23-Y41 HydrophobicContact CG2-CD2 4.09Å; V23-Y41 HydrophobicContact CG2-CE2 3.64Å; E39-Y41 HydrophobicContact CB-CD2 4.29Å; E39-Y41 HydrophobicContact CB-CE2 3.57Å; E39-Y41 PolarHBondContact OE2-OH 3.31Å; Y41-L52 HydrophobicContact CD1-CB 4.37Å; Y41-L52 HydrophobicContact CD1-CD2 4.43Å; Y41-L52 HydrophobicContact CG-CD2 4.34Å; Y41-T53 CarbonylContact C-O 3.57Å; Y41-T53 VanDerWaalsContact CA-O 3.26Å; Y41-T53 WeakPolarHBondContact CA-O 3.2Å; Y41-K54 HydrophobicContact CD1-CB 4.35Å; Y41-K54 HydrophobicContact CE1-CB 4.14Å; Y41-K54 HydrophobicContact CE1-CG 4.42Å
42G86.1Confident79.3Confident4 Ų457.6 Ų57.64%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-86.6135.2165.700000109.8L52 T53G42-L52 CarbonylContact O-C 3.58Å; G42-L52 VanDerWaalsContact O-CA 3.29Å; G42-L52 WeakPolarHBondContact O-CA 3.39Å; G42-T53 PolarHBondContact N-O 2.91Å; G42-T53 PolarHBondContact O-N 3.39Å; G42-T53 PolarHBondContact O-OG1 3.29Å
43L81.8Confident79.8Confident8 Ų855.5 Ų55.54%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-97.9108.2171.3-173.166.1000108.2I2 H19 P50 L52 L368 L381 L401I2-L43 HydrophobicContact CD1-CD1 4.24Å; H19-L43 PolarHBondContact O-N 2.84Å; L43-P50 HydrophobicContact CD1-CB 4.05Å; L43-L52 HydrophobicContact CD1-CD1 3.98Å; L43-L52 HydrophobicContact CD1-CG 3.89Å; L43-L368 HydrophobicContact CD2-CD1 4.01Å; L43-L381 HydrophobicContact CB-CD1 4.17Å; L43-L381 HydrophobicContact CB-CD2 4.37Å; L43-L381 HydrophobicContact CD2-CB 4.33Å; L43-L381 HydrophobicContact CD2-CD1 3.63Å; L43-L381 HydrophobicContact CD2-CD2 4.02Å; L43-L381 HydrophobicContact CD2-CG 4.19Å; L43-L381 HydrophobicContact CG-CD1 4.13Å; L43-L381 HydrophobicContact CG-CD2 3.9Å; L43-L381 WeakPolarHBondContact O-CD2 3.48Å; L43-L401 HydrophobicContact CD1-CD1 4.1Å; L43-L401 HydrophobicContact CD2-CD1 4.3Å
44E74.9Confident80.1Confident80 Ų8056.9 Ų56.937%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-103.8144.4175-69.4166.1-16500108.7P50 R51 T53E44-P50 CarbonylContact O-C 3.58Å; E44-P50 WeakPolarHBondContact O-CA 3.29Å; E44-R51 PolarHBondContact N-O 3.33Å; E44-R51 PolarHBondContact O-N 3.48Å; E44-R51 IonicContact OE2-CZ 3.72Å; E44-R51 IonicContact OE2-NE 3.63Å; E44-R51 IonicContact OE2-NH2 3.08Å; E44-R51 PolarHBondContact OE2-NH2 2.9Å; E44-R51 VanDerWaalsContact OE2-NH2 3.08Å; E44-T53 WeakPolarHBondContact OE1-CG2 3.37Å; E44-T53 PolarHBondContact OE1-OG1 2.87Å; E44-T53 VanDerWaalsContact OE2-CG2 3.31Å; E44-T53 WeakPolarHBondContact OE2-CG2 3.1Å
45Y62.6Low80.1Confident75 Ų7555 Ų5529%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-104.2113.3162.6-91.4-103.2000108.7P50 L381 F383Y45-P50 HydrophobicContact CD1-CB 4.36Å; Y45-P50 HydrophobicContact CD2-CB 4.22Å; Y45-P50 HydrophobicContact CE1-CB 3.92Å; Y45-P50 HydrophobicContact CE1-CG 4.15Å; Y45-P50 HydrophobicContact CE2-CB 3.81Å; Y45-L381 HydrophobicContact CD2-CB 4.35Å; Y45-L381 HydrophobicContact CD2-CD2 3.35Å; Y45-L381 HydrophobicContact CD2-CG 4.46Å; Y45-L381 HydrophobicContact CE2-CB 3.87Å; Y45-L381 HydrophobicContact CE2-CD2 3.65Å; Y45-L381 HydrophobicContact CE2-CG 4.39Å; Y45-L381 WeakPolarHBondContact CE2-O 3.1Å; Y45-L381 PolarHBondContact OH-O 3.24Å; Y45-F383 HydrophobicContact CE1-CD2 4.28Å; Y45-F383 AromaticContact CE1-CE2 3.55Å; Y45-F383 HydrophobicContact CE1-CE2 3.55Å; Y45-F383 AromaticContact CE1-CZ 3.76Å; Y45-F383 HydrophobicContact CE1-CZ 3.76Å; Y45-F383 AromaticContact CZ-CE2 3.9Å; Y45-F383 WeakPolarHBondContact OH-CE2 3.47Å
46A61.4Low80Confident38 Ų3853.7 Ų53.731%0.31425%0.25SC..EExtended strand (participates in β ladder)trans-120.2138.9170.200000108.1K48 R49A46-K48 VanDerWaalsContact C-N 3.35Å; A46-K48 PolarHBondContact O-N 3.47Å; A46-R49 PolarHBondContact N-O 2.91Å; A46-R49 CarbonylContact O-C 3.59Å; A46-R49 PolarHBondContact O-N 2.87Å
47D63.1Low79.9Confident156 Ų15655.7 Ų55.783%0.83426%0.256SS*.THydrogen-bonded Turntrans55.141.4172.9-51.9-38.4000115.2R49D47-R49 PolarHBondContact O-N 3.26Å
48K63.8Low79.8Confident189 Ų18957.3 Ų57.382%0.82226%0.264SS*.THydrogen-bonded Turntrans60.111.4-176.7-53.7178.2179.2177.90114.4A46A46-K48 VanDerWaalsContact C-N 3.35Å; A46-K48 PolarHBondContact O-N 3.47Å
49R65.3Low79.6Confident198 Ų19860.8 Ų60.875%0.74728%0.283SS*.EExtended strand (participates in β ladder)trans-120.5134.1175.4-66-173.9-179.8-164.91.1110A46 D47 R51A46-R49 PolarHBondContact N-O 2.91Å; A46-R49 CarbonylContact O-C 3.59Å; A46-R49 PolarHBondContact O-N 2.87Å; D47-R49 PolarHBondContact O-N 3.26Å; R49-R51 PolarHBondContact O-N 2.87Å
50P71.9Confident79.2Confident34 Ų3461.2 Ų61.222%0.22129%0.285CS..EExtended strand (participates in β ladder)trans-66.3130.4169.327.4-34.3000110I2 L43 E44 Y45I2-P50 HydrophobicContact CD1-CB 3.3Å; I2-P50 HydrophobicContact CD1-CG 3.23Å; I2-P50 HydrophobicContact CG1-CB 3.98Å; I2-P50 HydrophobicContact CG1-CG 3.36Å; L43-P50 HydrophobicContact CD1-CB 4.05Å; E44-P50 CarbonylContact O-C 3.58Å; E44-P50 WeakPolarHBondContact O-CA 3.29Å; Y45-P50 HydrophobicContact CD1-CB 4.36Å; Y45-P50 HydrophobicContact CD2-CB 4.22Å; Y45-P50 HydrophobicContact CE1-CB 3.92Å; Y45-P50 HydrophobicContact CE1-CG 4.15Å; Y45-P50 HydrophobicContact CE2-CB 3.81Å
51R75.4Confident78.7Confident140 Ų14063.8 Ų63.853%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-118.7136.3173.8-167.5178.588.7169.51.8108.7E44 R49 T53E44-R51 PolarHBondContact N-O 3.33Å; E44-R51 PolarHBondContact O-N 3.48Å; E44-R51 IonicContact OE2-CZ 3.72Å; E44-R51 IonicContact OE2-NE 3.63Å; E44-R51 IonicContact OE2-NH2 3.08Å; E44-R51 PolarHBondContact OE2-NH2 2.9Å; E44-R51 VanDerWaalsContact OE2-NH2 3.08Å; R49-R51 PolarHBondContact O-N 2.87Å; R51-T53 VanDerWaalsContact NH2-CG2 3.32Å
52L82.7Confident78.2Confident35 Ų3565 Ų6518%0.18333%0.329CS..EExtended strand (participates in β ladder)trans-98.1132.9168.8-72.7100.6000110.6I2 W4 Y41 G42 L43 L401I2-L52 HydrophobicContact CG2-CD1 3.43Å; I2-L52 VanDerWaalsContact CG2-CD1 3.43Å; W4-L52 HydrophobicContact CD2-CD1 4.23Å; W4-L52 HydrophobicContact CD2-CD2 3.89Å; W4-L52 HydrophobicContact CE3-CD1 3.61Å; W4-L52 HydrophobicContact CE3-CD2 3.82Å; W4-L52 HydrophobicContact CE3-CG 4.33Å; W4-L52 HydrophobicContact CH2-CD1 4.39Å; W4-L52 HydrophobicContact CH2-CD2 3.39Å; W4-L52 HydrophobicContact CZ2-CD2 3.42Å; W4-L52 VanDerWaalsContact CZ2-CD2 3.42Å; W4-L52 HydrophobicContact CZ3-CD1 3.73Å; W4-L52 HydrophobicContact CZ3-CD2 3.6Å; W4-L52 HydrophobicContact CZ3-CG 4.34Å; Y41-L52 HydrophobicContact CD1-CB 4.37Å; Y41-L52 HydrophobicContact CD1-CD2 4.43Å; Y41-L52 HydrophobicContact CG-CD2 4.34Å; G42-L52 CarbonylContact O-C 3.58Å; G42-L52 VanDerWaalsContact O-CA 3.29Å; G42-L52 WeakPolarHBondContact O-CA 3.39Å; L43-L52 HydrophobicContact CD1-CD1 3.98Å; L43-L52 HydrophobicContact CD1-CG 3.89Å; L52-L401 HydrophobicContact CD1-CD1 4.33Å
53T85.2Confident77.9Confident23 Ų2367.9 Ų67.914%0.14134%0.339CS..EExtended strand (participates in β ladder)trans-113.6131.6172.549.60000108.9Y41 G42 E44 R51 L55Y41-T53 CarbonylContact C-O 3.57Å; Y41-T53 VanDerWaalsContact CA-O 3.26Å; Y41-T53 WeakPolarHBondContact CA-O 3.2Å; G42-T53 PolarHBondContact N-O 2.91Å; G42-T53 PolarHBondContact O-N 3.39Å; G42-T53 PolarHBondContact O-OG1 3.29Å; E44-T53 WeakPolarHBondContact OE1-CG2 3.37Å; E44-T53 PolarHBondContact OE1-OG1 2.87Å; E44-T53 VanDerWaalsContact OE2-CG2 3.31Å; E44-T53 WeakPolarHBondContact OE2-CG2 3.1Å; R51-T53 VanDerWaalsContact NH2-CG2 3.32Å; T53-L55 PolarHBondContact O-N 2.92Å
54K87.5Confident78.1Confident105 Ų10567.6 Ų67.646%0.45734%0.337SS..EExtended strand (participates in β ladder)trans-75119172.6-172.7-179.2-61.5-169.50108E39 Y41E39-K54 WeakPolarHBondContact OE1-CE 3.39Å; E39-K54 IonicContact OE1-NZ 2.67Å; E39-K54 PolarHBondContact OE1-NZ 2.81Å; E39-K54 IonicContact OE2-NZ 3.1Å; Y41-K54 HydrophobicContact CD1-CB 4.35Å; Y41-K54 HydrophobicContact CE1-CB 4.14Å; Y41-K54 HydrophobicContact CE1-CG 4.42Å
55L86Confident78.8Confident10 Ų1063.8 Ų63.85%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-102.7-16.4-175.6-64.7-178000113.4H20 V40 T53 L105 G141 M142H20-L55 WeakPolarHBondContact CD2-CD1 3.48Å; V40-L55 HydrophobicContact CG1-CB 4.43Å; V40-L55 PolarHBondContact O-N 2.9Å; T53-L55 PolarHBondContact O-N 2.92Å; L55-L105 WeakPolarHBondContact O-CD1 3.43Å; L55-G141 CarbonylContact O-C 3.54Å; L55-G141 WeakPolarHBondContact O-CA 3.12Å; L55-M142 HydrophobicContact CB-CB 4.5Å; L55-M142 HydrophobicContact CB-CG 4.2Å; L55-M142 HydrophobicContact CD1-CG 4.38Å; L55-M142 PolarHBondContact O-N 2.58Å
56G85.5Confident80.1Confident7 Ų763.2 Ų63.27%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-175.7156.6-179.200000112E39 V40E39-G56 WeakPolarHBondContact CA-O 3.47Å; V40-G56 PolarHBondContact N-O 2.84Å; V40-G56 PolarHBondContact O-N 3.46Å
57R89.1Confident81.5Confident53 Ų5362.6 Ų62.620%0.231%0.312CS..EExtended strand (participates in β ladder)trans-141.9139.8174.4177.8177.2170.7174.92.9109.5C37 L38 E39 D59 E122C37-R57 HydrophobicContact CB-CG 4.44Å; L38-R57 CarbonylContact O-C 3.58Å; L38-R57 VanDerWaalsContact O-CA 3.26Å; L38-R57 WeakPolarHBondContact O-CA 3.36Å; E39-R57 HydrophobicContact CG-CB 4.34Å; E39-R57 HydrophobicContact CG-CG 4.12Å; R57-D59 IonicContact CZ-OD1 2.72Å; R57-D59 IonicContact NE-OD1 2.55Å; R57-D59 PolarHBondContact NE-OD1 3.34Å; R57-D59 IonicContact NH2-OD1 3.94Å; R57-D59 PolarHBondContact NH2-OD1 3.42Å; R57-E122 IonicContact NH1-OE2 2.72Å; R57-E122 PolarHBondContact NH1-OE2 3.03Å; R57-E122 VanDerWaalsContact NH1-OE2 3.12Å
58M87.9Confident83Confident34 Ų3455.6 Ų55.617%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-130.7124.4171.5-179.1-179.765.500109.4C37 L38 T60 L84 V98 F144C37-M58 CarbonylContact C-O 3.6Å; C37-M58 WeakPolarHBondContact CA-O 3.49Å; C37-M58 VanDerWaalsContact CB-O 3.23Å; C37-M58 WeakPolarHBondContact CB-O 3.24Å; L38-M58 HydrophobicContact CD1-CE 3.49Å; L38-M58 VanDerWaalsContact CD1-CE 3.49Å; L38-M58 HydrophobicContact CG-CE 4.44Å; L38-M58 PolarHBondContact N-O 2.87Å; L38-M58 PolarHBondContact O-N 2.82Å; M58-T60 HydrophobicContact CE-CG2 4.47Å; M58-L84 HydrophobicContact CE-CD1 3.88Å; M58-V98 HydrophobicContact CE-CB 4.4Å; M58-V98 HydrophobicContact CE-CG1 3.87Å; M58-V98 HydrophobicContact CE-CG2 4.02Å; M58-V98 HydrophobicContact SD-CG1 3.82Å; M58-V98 HydrophobicContact SD-CG2 4.42Å; M58-F144 HydrophobicContact CB-CB 4.05Å; M58-F144 HydrophobicContact CB-CD1 3.9Å; M58-F144 HydrophobicContact CB-CD2 3.73Å; M58-F144 HydrophobicContact CB-CE1 4.22Å; M58-F144 HydrophobicContact CB-CE2 4.07Å; M58-F144 HydrophobicContact CB-CG 3.63Å; M58-F144 HydrophobicContact CB-CZ 4.28Å; M58-F144 HydrophobicContact CE-CD1 3.93Å; M58-F144 HydrophobicContact CE-CG 4.47Å; M58-F144 HydrophobicContact CG-CB 4.13Å; M58-F144 HydrophobicContact CG-CG 4.23Å; M58-F144 HydrophobicContact SD-CB 3.47Å; M58-F144 WeakPolarHBondContact SD-CB 3.18Å; M58-F144 HydrophobicContact SD-CD1 3.92Å; M58-F144 HydrophobicContact SD-CG 3.87Å
59D87.5Confident84.4Confident72 Ų7247.5 Ų47.539%0.38524%0.24SC..EExtended strand (participates in β ladder)trans-80.8133.1173.8-67.3-35.5000110R57 G61R57-D59 IonicContact CZ-OD1 2.72Å; R57-D59 IonicContact NE-OD1 2.55Å; R57-D59 PolarHBondContact NE-OD1 3.34Å; R57-D59 IonicContact NH2-OD1 3.94Å; R57-D59 PolarHBondContact NH2-OD1 3.42Å; D59-G61 VanDerWaalsContact C-N 3.34Å
60T85Confident85.7Confident9 Ų939.5 Ų39.56%0.05521%0.213CC..  trans-97.615.817854.80000112.8N36 L38 M58 G62 R63N36-T60 VanDerWaalsContact C-OG1 3.28Å; N36-T60 VanDerWaalsContact CB-OG1 3.3Å; N36-T60 WeakPolarHBondContact CB-OG1 3.41Å; N36-T60 PolarHBondContact O-N 3.39Å; N36-T60 PolarHBondContact O-OG1 2.74Å; L38-T60 HydrophobicContact CD1-CG2 3.22Å; M58-T60 HydrophobicContact CE-CG2 4.47Å; T60-G62 PolarHBondContact O-N 2.79Å; T60-R63 WeakPolarHBondContact CB-O 3.35Å; T60-R63 PolarHBondContact O-N 3.41Å; T60-R63 PolarHBondContact OG1-O 3.28Å
61G81.1Confident86.6Confident54 Ų5440.1 Ų40.156%0.55721%0.212SC*.THydrogen-bonded Turntrans63.9-127.217900000112.6N36 D59 R63N36-G61 WeakPolarHBondContact CB-O 3.38Å; N36-G61 PolarHBondContact ND2-O 3.24Å; D59-G61 VanDerWaalsContact C-N 3.34Å; G61-R63 VanDerWaalsContact C-N 3.27Å; G61-R63 PolarHBondContact O-N 3.48Å
62G78.9Confident87.2Confident41 Ų4135.2 Ų35.242%0.42320%0.201SC..THydrogen-bonded Turntrans-81.92.5-178.900000115.1T60T60-G62 PolarHBondContact O-N 2.79Å
63R79.8Confident87.1Confident65 Ų6536.9 Ų36.925%0.24521%0.213CC..  trans-114.1111.5-166.6-62.6178.4-67.5162.3-3.5110.2T60 G61 Q86 D96T60-R63 WeakPolarHBondContact CB-O 3.35Å; T60-R63 PolarHBondContact O-N 3.41Å; T60-R63 PolarHBondContact OG1-O 3.28Å; G61-R63 VanDerWaalsContact C-N 3.27Å; G61-R63 PolarHBondContact O-N 3.48Å; R63-Q86 HydrophobicContact CB-CB 4.06Å; R63-Q86 HydrophobicContact CB-CG 4.2Å; R63-D96 IonicContact CZ-OD1 3.4Å; R63-D96 IonicContact CZ-OD2 3.19Å; R63-D96 VanDerWaalsContact CZ-OD2 3.27Å; R63-D96 IonicContact NH1-OD1 3.32Å; R63-D96 PolarHBondContact NH1-OD1 2.83Å; R63-D96 IonicContact NH1-OD2 3.39Å; R63-D96 PolarHBondContact NH1-OD2 3.5Å; R63-D96 IonicContact NH2-OD1 3.63Å; R63-D96 IonicContact NH2-OD2 2.92Å; R63-D96 PolarHBondContact NH2-OD2 3.45Å
64A86.3Confident86.5Confident1 Ų138.3 Ų38.31%0.00822%0.22CC..  trans-75.1135.6175.700000110.4Y11 M66 Q86 D87Y11-A64 HydrophobicContact CE2-CB 4.34Å; A64-M66 HydrophobicContact CB-SD 4.22Å; A64-M66 PolarHBondContact O-N 3.49Å; A64-Q86 WeakPolarHBondContact O-CA 3.3Å; A64-D87 PolarHBondContact O-N 2.83Å
65T89.6Confident85.5Confident0 Ų038.1 Ų38.10%023%0.229CC..EExtended strand (participates in β ladder)trans-82.3110.4175.2-59.50000109.2Y11 A24 N67 L84 G85Y11-T65 WeakPolarHBondContact CD2-O 3.26Å; A24-T65 HydrophobicContact CB-CG2 3.71Å; T65-N67 WeakPolarHBondContact CG2-O 3.47Å; T65-L84 HydrophobicContact CG2-CB 4.02Å; T65-L84 HydrophobicContact CG2-CD2 4.18Å; T65-G85 CarbonylContact C-O 3.58Å; T65-G85 WeakPolarHBondContact CA-O 3.29Å
66M89.8Confident84.6Confident63 Ų6343.8 Ų43.831%0.3126%0.264SS..EExtended strand (participates in β ladder)trans-95.7-24.8-173.6-62.6-56-66.100113.3Y11 A64 G85 D87Y11-M66 HydrophobicContact CD1-CE 4.41Å; Y11-M66 HydrophobicContact CD2-CE 4.17Å; Y11-M66 HydrophobicContact CD2-SD 3.44Å; Y11-M66 WeakPolarHBondContact CD2-SD 3.26Å; Y11-M66 HydrophobicContact CE2-CE 4.35Å; Y11-M66 HydrophobicContact CE2-SD 3.63Å; Y11-M66 HydrophobicContact CG-CE 4.21Å; Y11-M66 HydrophobicContact CG-SD 4.02Å; A64-M66 HydrophobicContact CB-SD 4.22Å; A64-M66 PolarHBondContact O-N 3.49Å; M66-G85 PolarHBondContact N-O 2.9Å; M66-D87 HydrophobicContact CG-CB 3.99Å
67N91.4Very high83.7Confident25 Ų2547.4 Ų47.413%0.13428%0.282CS..EExtended strand (participates in β ladder)trans-149.6159.8173.16183.1000109.3T65 G85 Q165 K166T65-N67 WeakPolarHBondContact CG2-O 3.47Å; N67-G85 PolarHBondContact N-O 3.03Å; N67-G85 PolarHBondContact O-N 2.82Å; N67-Q165 VanDerWaalsContact CG-NE2 3.28Å; N67-Q165 PolarHBondContact ND2-NE2 3.26Å; N67-Q165 PolarHBondContact ND2-O 2.75Å; N67-Q165 PolarHBondContact OD1-NE2 3.31Å; N67-K166 PolarHBondContact ND2-O 2.69Å
68M93.2Very high83Confident9 Ų945.3 Ų45.34%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-153.4160.6173.460.7173.3158.900111.7G12 V13 K14 I22 A24 A83 L84G12-M68 VanDerWaalsContact O-CE 3.24Å; G12-M68 WeakPolarHBondContact O-CE 2.97Å; V13-M68 VanDerWaalsContact CA-CE 3.48Å; V13-M68 VanDerWaalsContact N-CE 3.32Å; K14-M68 HydrophobicContact CB-CE 4.32Å; K14-M68 HydrophobicContact CG-CE 4.17Å; K14-M68 HydrophobicContact CG-CG 4.11Å; K14-M68 HydrophobicContact CG-SD 4.26Å; I22-M68 HydrophobicContact CG2-CE 4.16Å; I22-M68 HydrophobicContact CG2-SD 4.13Å; A24-M68 HydrophobicContact CB-CE 3.92Å; A24-M68 HydrophobicContact CB-SD 4.05Å; M68-A83 WeakPolarHBondContact CA-O 3.16Å; M68-A83 WeakPolarHBondContact CB-O 3.41Å; M68-L84 HydrophobicContact CB-CD2 3.8Å; M68-L84 HydrophobicContact SD-CD2 4.38Å
69D94.1Very high82.8Confident20 Ų2046.5 Ų46.511%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-136159.7164.1-162.634000110.8L82 A83 V168 R169 F170D69-L82 WeakPolarHBondContact O-CA 3.4Å; D69-A83 PolarHBondContact N-O 2.9Å; D69-A83 VanDerWaalsContact N-O 3.08Å; D69-A83 PolarHBondContact O-N 3.08Å; D69-V168 HydrophobicContact CB-CG1 3.89Å; D69-R169 VanDerWaalsContact OD2-CA 3.27Å; D69-R169 WeakPolarHBondContact OD2-CA 3.38Å; D69-F170 HydrophobicContact CB-CD2 4.11Å; D69-F170 HydrophobicContact CB-CE2 4.41Å; D69-F170 PolarHBondContact OD2-N 3.35Å
70V92.7Very high82.9Confident30 Ų3043.5 Ų43.518%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-131.2134.6-174.8-179.10000110.1K14 L16 I22 F80 L81 L82K14-V70 HydrophobicContact CB-CG2 3.6Å; K14-V70 HydrophobicContact CG-CG2 3.83Å; L16-V70 HydrophobicContact CD2-CB 4.19Å; L16-V70 HydrophobicContact CD2-CG1 3.37Å; L16-V70 HydrophobicContact CD2-CG2 3.83Å; I22-V70 HydrophobicContact CG2-CG2 4.49Å; V70-F80 HydrophobicContact CG1-CB 4.16Å; V70-F80 HydrophobicContact CG1-CD1 4.08Å; V70-F80 HydrophobicContact CG1-CG 4.47Å; V70-L81 CarbonylContact C-O 3.53Å; V70-L81 WeakPolarHBondContact CA-O 3.39Å; V70-L82 HydrophobicContact CB-CD2 4.23Å; V70-L82 HydrophobicContact CG1-CD2 4.05Å; V70-L82 HydrophobicContact CG2-CD2 3.47Å; V70-L82 VanDerWaalsContact CG2-CD2 3.47Å
71F91Very high83.1Confident46 Ų4643.1 Ų43.120%0.20227%0.265CS..EExtended strand (participates in β ladder)trans-122131.6169.3-177-99.8000110.7V73 F80 L81 F170F71-V73 HydrophobicContact CD1-CG2 4.25Å; F71-V73 PolarHBondContact O-N 2.73Å; F71-F80 CarbonylContact O-C 3.45Å; F71-F80 WeakPolarHBondContact O-CA 3.36Å; F71-L81 HydrophobicContact CB-CB 4.35Å; F71-L81 PolarHBondContact N-O 3.28Å; F71-L81 PolarHBondContact O-N 3.29Å; F71-F170 HydrophobicContact CB-CB 3.8Å; F71-F170 HydrophobicContact CB-CD1 4.05Å; F71-F170 HydrophobicContact CB-CD2 3.67Å; F71-F170 HydrophobicContact CB-CE2 4.21Å; F71-F170 HydrophobicContact CB-CG 3.57Å; F71-F170 HydrophobicContact CD2-CB 4.1Å; F71-F170 HydrophobicContact CG-CB 4.24Å; F71-F170 HydrophobicContact CG-CG 4.37Å
72A86.4Confident83.6Confident37 Ų3740.5 Ų40.531%0.30624%0.238SC..EExtended strand (participates in β ladder)trans-81.9107.6172.800000108.8P75 F80A72-P75 HydrophobicContact CB-CG 4.25Å; A72-F80 HydrophobicContact CB-CD1 3.94Å; A72-F80 HydrophobicContact CB-CE1 3.89Å
73V82.2Confident84.2Confident70 Ų7038.6 Ų38.642%0.42422%0.218SC..EExtended strand (participates in β ladder)trans-69.1-48.6180-178.70000109.8F71 N79 L81F71-V73 HydrophobicContact CD1-CG2 4.25Å; F71-V73 PolarHBondContact O-N 2.73Å; V73-N79 PolarHBondContact N-O 3.36Å; V73-L81 HydrophobicContact CG2-CB 3.78Å
74N72.5Confident84.7Confident54 Ų5435.5 Ų35.529%0.28921%0.207SC..EExtended strand (participates in β ladder)trans-136109.3168-171-8.5000108.7V76 D77 G78 N79N74-V76 PolarHBondContact O-N 3.05Å; N74-V76 WeakPolarHBondContact OD1-CB 3.26Å; N74-V76 PolarHBondContact OD1-N 2.83Å; N74-D77 HydrophobicContact CB-CB 4.18Å; N74-D77 PolarHBondContact ND2-OD1 2.94Å; N74-D77 PolarHBondContact ND2-OD2 3.46Å; N74-D77 PolarHBondContact O-N 2.78Å; N74-G78 PolarHBondContact O-N 2.97Å; N74-N79 PolarHBondContact N-O 2.89Å; N74-N79 PolarHBondContact O-N 2.79Å
75P66.2Low84.7Confident101 Ų10135.5 Ų35.566%0.65621%0.207SC*.THydrogen-bonded Turntrans-58.5-28.9177.7-22.632.2000113.4A72A72-P75 HydrophobicContact CB-CG 4.25Å
76V67Low84.3Confident129 Ų12935.6 Ų35.678%0.78221%0.207SC*.THydrogen-bonded Turntrans-74.8-41.5-176.7-175.70000111.3N74 G78N74-V76 PolarHBondContact O-N 3.05Å; N74-V76 WeakPolarHBondContact OD1-CB 3.26Å; N74-V76 PolarHBondContact OD1-N 2.83Å; V76-G78 VanDerWaalsContact C-N 3.29Å; V76-G78 PolarHBondContact O-N 2.85Å
77D67.1Low83.5Confident82 Ų8235.6 Ų35.644%0.43921%0.209SC..THydrogen-bonded Turntrans-79.9-13.5-177.2-60.2-21.9000112.9N74 N79 N102N74-D77 HydrophobicContact CB-CB 4.18Å; N74-D77 PolarHBondContact ND2-OD1 2.94Å; N74-D77 PolarHBondContact ND2-OD2 3.46Å; N74-D77 PolarHBondContact O-N 2.78Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 HydrophobicContact CB-CB 4.46Å; D77-N102 PolarHBondContact O-ND2 2.74Å
78G72.9Confident81.8Confident10 Ų1035.2 Ų35.210%0.10321%0.211CC..THydrogen-bonded Turntrans7226.7-171.900000113.3N74 V76 F80N74-G78 PolarHBondContact O-N 2.97Å; V76-G78 VanDerWaalsContact C-N 3.29Å; V76-G78 PolarHBondContact O-N 2.85Å; G78-F80 VanDerWaalsContact O-CD2 3.26Å; G78-F80 WeakPolarHBondContact O-CD2 3.48Å; G78-F80 WeakPolarHBondContact O-CE2 3.47Å
79N84.2Confident79.7Confident58 Ų5839 Ų3931%0.3123%0.231SC..EExtended strand (participates in β ladder)trans-93.9118178.9-71.6-24.5000110.6V73 N74 D77 V100 S101V73-N79 PolarHBondContact N-O 3.36Å; N74-N79 PolarHBondContact N-O 2.89Å; N74-N79 PolarHBondContact O-N 2.79Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 HydrophobicContact CB-CB 4.46Å; N79-V100 WeakPolarHBondContact CA-O 3.33Å; N79-S101 WeakPolarHBondContact OD1-CA 3.36Å; N79-S101 WeakPolarHBondContact OD1-CB 3.36Å
80F89Confident77.5Confident10 Ų1045.4 Ų45.44%0.04426%0.258CS..EExtended strand (participates in β ladder)trans-117143-179.5-57.3-82.8000110.8L16 V70 F71 A72 G78 T99 V100L16-F80 HydrophobicContact CB-CD2 4.25Å; L16-F80 HydrophobicContact CB-CE1 4.38Å; L16-F80 HydrophobicContact CB-CE2 4.09Å; L16-F80 HydrophobicContact CB-CG 4.47Å; L16-F80 HydrophobicContact CB-CZ 4.16Å; L16-F80 HydrophobicContact CD1-CD2 4.43Å; L16-F80 HydrophobicContact CD2-CB 4.3Å; L16-F80 HydrophobicContact CD2-CD1 4.28Å; L16-F80 HydrophobicContact CD2-CG 4.12Å; V70-F80 HydrophobicContact CG1-CB 4.16Å; V70-F80 HydrophobicContact CG1-CD1 4.08Å; V70-F80 HydrophobicContact CG1-CG 4.47Å; F71-F80 CarbonylContact O-C 3.45Å; F71-F80 WeakPolarHBondContact O-CA 3.36Å; A72-F80 HydrophobicContact CB-CD1 3.94Å; A72-F80 HydrophobicContact CB-CE1 3.89Å; G78-F80 VanDerWaalsContact O-CD2 3.26Å; G78-F80 WeakPolarHBondContact O-CD2 3.48Å; G78-F80 WeakPolarHBondContact O-CE2 3.47Å; F80-T99 CarbonylContact O-C 3.56Å; F80-T99 VanDerWaalsContact O-CA 3.29Å; F80-T99 WeakPolarHBondContact O-CA 3.3Å; F80-V100 HydrophobicContact CB-CB 4.44Å; F80-V100 PolarHBondContact N-O 3.19Å; F80-V100 PolarHBondContact O-N 2.84Å
81L90.1Very high75.3Confident0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-102.3127.6169.9-171.267000108.3V70 F71 V73 V97 T99 I147 F170 Y191V70-L81 CarbonylContact C-O 3.53Å; V70-L81 WeakPolarHBondContact CA-O 3.39Å; F71-L81 HydrophobicContact CB-CB 4.35Å; F71-L81 PolarHBondContact N-O 3.28Å; F71-L81 PolarHBondContact O-N 3.29Å; V73-L81 HydrophobicContact CG2-CB 3.78Å; L81-V97 HydrophobicContact CD1-CG1 3.37Å; L81-V97 HydrophobicContact CD2-CG1 4.41Å; L81-V97 HydrophobicContact CG-CG1 3.96Å; L81-T99 HydrophobicContact CD1-CG2 4.23Å; L81-I147 HydrophobicContact CD1-CD1 3.36Å; L81-F170 HydrophobicContact CB-CZ 4.36Å; L81-F170 HydrophobicContact CD2-CD1 4.16Å; L81-F170 HydrophobicContact CD2-CE1 3.36Å; L81-F170 HydrophobicContact CD2-CZ 3.7Å; L81-F170 HydrophobicContact CG-CE1 3.93Å; L81-F170 HydrophobicContact CG-CZ 3.7Å; L81-Y191 HydrophobicContact CD1-CE2 4.11Å; L81-Y191 HydrophobicContact CD2-CD2 3.79Å; L81-Y191 HydrophobicContact CD2-CE1 4.31Å; L81-Y191 HydrophobicContact CD2-CE2 3.39Å; L81-Y191 HydrophobicContact CD2-CG 4.42Å; L81-Y191 HydrophobicContact CG-CE2 4.41Å
82L91.9Very high73.5Confident0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-109.8134.5176.1-52.4178.4000108.8L16 I22 L38 D69 V70 L84 V97 V98 V100 F144L16-L82 HydrophobicContact CD2-CD2 4.13Å; I22-L82 HydrophobicContact CD1-CD1 3.39Å; I22-L82 HydrophobicContact CD1-CD2 4.15Å; I22-L82 HydrophobicContact CD1-CG 4.44Å; L38-L82 HydrophobicContact CD2-CD1 4.39Å; D69-L82 WeakPolarHBondContact O-CA 3.4Å; V70-L82 HydrophobicContact CB-CD2 4.23Å; V70-L82 HydrophobicContact CG1-CD2 4.05Å; V70-L82 HydrophobicContact CG2-CD2 3.47Å; V70-L82 VanDerWaalsContact CG2-CD2 3.47Å; L82-L84 HydrophobicContact CB-CD2 3.89Å; L82-L84 HydrophobicContact CB-CG 4.23Å; L82-L84 HydrophobicContact CD1-CD2 4.37Å; L82-V97 CarbonylContact O-C 3.5Å; L82-V97 VanDerWaalsContact O-CA 3.28Å; L82-V97 WeakPolarHBondContact O-CA 3.41Å; L82-V98 HydrophobicContact CB-CB 4.38Å; L82-V98 WeakPolarHBondContact CB-O 2.95Å; L82-V98 PolarHBondContact N-O 3.03Å; L82-V98 PolarHBondContact O-N 3.47Å; L82-V100 HydrophobicContact CD1-CG2 3.38Å; L82-V100 HydrophobicContact CG-CG2 3.91Å; L82-F144 HydrophobicContact CD1-CE1 4.45Å
83A91.5Very high72Confident0 Ų051.6 Ų51.60%028%0.283CS..EExtended strand (participates in β ladder)trans-108.1115.4162.700000107.9M68 D69 Y95 V168 F170M68-A83 WeakPolarHBondContact CA-O 3.16Å; M68-A83 WeakPolarHBondContact CB-O 3.41Å; D69-A83 PolarHBondContact N-O 2.9Å; D69-A83 VanDerWaalsContact N-O 3.08Å; D69-A83 PolarHBondContact O-N 3.08Å; A83-Y95 HydrophobicContact CB-CD1 4.08Å; A83-Y95 HydrophobicContact CB-CE1 4.5Å; A83-V168 HydrophobicContact CB-CB 4.33Å; A83-V168 HydrophobicContact CB-CG1 3.81Å; A83-V168 HydrophobicContact CB-CG2 3.74Å; A83-F170 HydrophobicContact CB-CE1 4.49Å; A83-F170 HydrophobicContact CB-CE2 3.65Å; A83-F170 HydrophobicContact CB-CZ 3.54Å
84L90.2Very high71.4Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-107.5106.7-173.3-54.8-177.3000110.1L38 M58 T65 M68 L82 Q86 Y95 D96 V98L38-L84 HydrophobicContact CD1-CD1 3.59Å; L38-L84 HydrophobicContact CD2-CD1 3.64Å; L38-L84 HydrophobicContact CD2-CD2 3.54Å; L38-L84 HydrophobicContact CD2-CG 4.23Å; L38-L84 HydrophobicContact CG-CD1 4.29Å; M58-L84 HydrophobicContact CE-CD1 3.88Å; T65-L84 HydrophobicContact CG2-CB 4.02Å; T65-L84 HydrophobicContact CG2-CD2 4.18Å; M68-L84 HydrophobicContact CB-CD2 3.8Å; M68-L84 HydrophobicContact SD-CD2 4.38Å; L82-L84 HydrophobicContact CB-CD2 3.89Å; L82-L84 HydrophobicContact CB-CG 4.23Å; L82-L84 HydrophobicContact CD1-CD2 4.37Å; L84-Q86 PolarHBondContact O-N 2.67Å; L84-Y95 VanDerWaalsContact C-CD1 3.45Å; L84-Y95 VanDerWaalsContact O-CA 3.31Å; L84-Y95 WeakPolarHBondContact O-CA 3.44Å; L84-Y95 WeakPolarHBondContact O-CD1 3.42Å; L84-D96 HydrophobicContact CB-CB 4.47Å; L84-D96 PolarHBondContact N-O 2.99Å; L84-D96 PolarHBondContact O-N 2.52Å; L84-V98 HydrophobicContact CD1-CB 4.47Å; L84-V98 HydrophobicContact CD1-CG2 3.94Å
85G86.6Confident71.3Confident1 Ų146.5 Ų46.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-78117.3176.900000110.5T65 M66 N67T65-G85 CarbonylContact C-O 3.58Å; T65-G85 WeakPolarHBondContact CA-O 3.29Å; M66-G85 PolarHBondContact N-O 2.9Å; N67-G85 PolarHBondContact N-O 3.03Å; N67-G85 PolarHBondContact O-N 2.82Å
86Q81.1Confident71.5Confident2 Ų242 Ų421%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-111144.2-170.2-73.1178.5-3.900113R63 A64 L84 G88 N94 D96R63-Q86 HydrophobicContact CB-CB 4.06Å; R63-Q86 HydrophobicContact CB-CG 4.2Å; A64-Q86 WeakPolarHBondContact O-CA 3.3Å; L84-Q86 PolarHBondContact O-N 2.67Å; Q86-G88 PolarHBondContact O-N 3.03Å; Q86-N94 PolarHBondContact N-O 2.86Å; Q86-D96 PolarHBondContact NE2-OD2 3.12Å; Q86-D96 PolarHBondContact OE1-OD2 2.94Å
87D72.1Confident71.9Confident64 Ų6435.8 Ų35.834%0.34219%0.186SC..PPolyproline II helixtrans-68121.7165.8-160.917.9000108.9A64 M66A64-D87 PolarHBondContact O-N 2.83Å; M66-D87 HydrophobicContact CG-CB 3.99Å
88G55.2Low72.1Confident17 Ų1732 Ų3218%0.17517%0.166CC..PPolyproline II helixtrans-85.3157.1-178.700000112.2Q86 Q92Q86-G88 PolarHBondContact O-N 3.03Å; G88-Q92 WeakPolarHBondContact CA-O 3.34Å
89N50.5Low72.1Confident89 Ų8933.4 Ų33.448%0.47617%0.173SC..PPolyproline II helixtrans-65.9150.4149.1-68.3-8.4000107.1H29 L91 Q92H29-N89 PolarHBondContact CE1-OD1 2.74Å; H29-N89 PolarHBondContact ND1-OD1 3.18Å; N89-L91 PolarHBondContact O-N 2.92Å; N89-Q92 PolarHBondContact O-N 2.85Å
90F47Very low71.6Confident153 Ų15330.6 Ų30.667%0.67116%0.158SC*.THydrogen-bonded Turntrans-34.3-14.1-178.3-66.7-85.3000118.6A157 G161F90-A157 VanDerWaalsContact O-CB 3.29Å; F90-A157 WeakPolarHBondContact O-CB 3.35Å; F90-G161 WeakPolarHBondContact CD1-O 3.39Å
91L47Very low70.8Confident135 Ų13532 Ų3271%0.70717%0.168SC*.THydrogen-bonded Turntrans-103.1-22.9-177.5-59.3173000114.9N89 A157N89-L91 PolarHBondContact O-N 2.92Å; L91-A157 HydrophobicContact CD2-CB 4.47Å
92Q52.3Low69.7Low109 Ų10935.8 Ų35.851%0.50919%0.189SC..  trans-153.9119.8-173.5-64.7-1791.100113.5G88 N89 N94G88-Q92 WeakPolarHBondContact CA-O 3.34Å; N89-Q92 PolarHBondContact O-N 2.85Å; Q92-N94 PolarHBondContact OE1-ND2 3.48Å
93S55.9Low68.1Low0 Ų036.8 Ų36.80%020%0.199CC..  trans-98.9124.116071.70000109.6D153 P163S93-D153 WeakPolarHBondContact OG-CB 3.46Å; S93-P163 WeakPolarHBondContact CB-O 3.27Å; S93-P163 WeakPolarHBondContact OG-CB 3.5Å
94N69.7Low66.2Low16 Ų1640.5 Ų40.59%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-121.1149.9-177-59.5-31.1000111.3Q86 Q92 T149 L150 Q151Q86-N94 PolarHBondContact N-O 2.86Å; Q92-N94 PolarHBondContact OE1-ND2 3.48Å; N94-T149 HydrophobicContact CB-CG2 3.4Å; N94-T149 VanDerWaalsContact CB-CG2 3.4Å; N94-T149 VanDerWaalsContact ND2-CG2 3.28Å; N94-T149 WeakPolarHBondContact ND2-CG2 3.13Å; N94-L150 CarbonylContact C-O 3.6Å; N94-L150 WeakPolarHBondContact CA-O 3.11Å; N94-Q151 WeakPolarHBondContact OD1-CA 3.39Å
95Y69.9Low64.3Low0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-88.6130.3153.3-76.3-79.4000109.6A83 L84 T149 L150 T152 Q165 V167 V168A83-Y95 HydrophobicContact CB-CD1 4.08Å; A83-Y95 HydrophobicContact CB-CE1 4.5Å; L84-Y95 VanDerWaalsContact C-CD1 3.45Å; L84-Y95 VanDerWaalsContact O-CA 3.31Å; L84-Y95 WeakPolarHBondContact O-CA 3.44Å; L84-Y95 WeakPolarHBondContact O-CD1 3.42Å; Y95-T149 CarbonylContact O-C 3.54Å; Y95-T149 VanDerWaalsContact O-CA 3.27Å; Y95-T149 WeakPolarHBondContact O-CA 3.27Å; Y95-L150 PolarHBondContact N-O 3.21Å; Y95-L150 PolarHBondContact O-N 2.86Å; Y95-T152 HydrophobicContact CD2-CG2 3.36Å; Y95-T152 WeakPolarHBondContact CD2-OG1 3.37Å; Y95-T152 HydrophobicContact CE2-CG2 3.79Å; Y95-T152 WeakPolarHBondContact CE2-OG1 3.24Å; Y95-Q165 HydrophobicContact CD2-CG 4.24Å; Y95-Q165 HydrophobicContact CE1-CG 4.32Å; Y95-Q165 VanDerWaalsContact CE1-NE2 3.29Å; Y95-Q165 HydrophobicContact CE2-CG 3.33Å; Y95-Q165 WeakPolarHBondContact OH-CG 3.03Å; Y95-Q165 PolarHBondContact OH-NE2 3.41Å; Y95-V167 PolarHBondContact OH-O 3.06Å; Y95-V168 HydrophobicContact CD1-CB 4.39Å; Y95-V168 HydrophobicContact CD1-CG1 4.1Å; Y95-V168 HydrophobicContact CE1-CB 3.46Å; Y95-V168 VanDerWaalsContact CE1-CB 3.46Å; Y95-V168 HydrophobicContact CE1-CG1 3.22Å; Y95-V168 HydrophobicContact CE1-CG2 4.31Å; Y95-V168 HydrophobicContact CE2-CB 4.27Å; Y95-V168 WeakPolarHBondContact OH-CA 3.1Å; Y95-V168 WeakPolarHBondContact OH-CB 3.16Å; Y95-V168 PolarHBondContact OH-N 3.14Å
96D70Confident62.3Low6 Ų644 Ų443%0.03224%0.241CC..EExtended strand (participates in β ladder)trans-89.6118.8158.2-66.80.2000107.2R63 L84 Q86 V98 T149R63-D96 IonicContact CZ-OD1 3.4Å; R63-D96 IonicContact CZ-OD2 3.19Å; R63-D96 VanDerWaalsContact CZ-OD2 3.27Å; R63-D96 IonicContact NH1-OD1 3.32Å; R63-D96 PolarHBondContact NH1-OD1 2.83Å; R63-D96 IonicContact NH1-OD2 3.39Å; R63-D96 PolarHBondContact NH1-OD2 3.5Å; R63-D96 IonicContact NH2-OD1 3.63Å; R63-D96 IonicContact NH2-OD2 2.92Å; R63-D96 PolarHBondContact NH2-OD2 3.45Å; L84-D96 HydrophobicContact CB-CB 4.47Å; L84-D96 PolarHBondContact N-O 2.99Å; L84-D96 PolarHBondContact O-N 2.52Å; Q86-D96 PolarHBondContact NE2-OD2 3.12Å; Q86-D96 PolarHBondContact OE1-OD2 2.94Å; D96-V98 HydrophobicContact CB-CG2 4.07Å; D96-T149 PolarHBondContact OD1-OG1 3.46Å
97V75.4Confident60.5Low0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-88.9118168.3-174.10000107.3L81 L82 I147 K148 L150 F194L81-V97 HydrophobicContact CD1-CG1 3.37Å; L81-V97 HydrophobicContact CD2-CG1 4.41Å; L81-V97 HydrophobicContact CG-CG1 3.96Å; L82-V97 CarbonylContact O-C 3.5Å; L82-V97 VanDerWaalsContact O-CA 3.28Å; L82-V97 WeakPolarHBondContact O-CA 3.41Å; V97-I147 HydrophobicContact CG1-CB 4.49Å; V97-I147 HydrophobicContact CG1-CD1 3.9Å; V97-I147 WeakPolarHBondContact O-CA 3.2Å; V97-I147 VanDerWaalsContact O-CB 3.31Å; V97-I147 WeakPolarHBondContact O-CB 3.45Å; V97-I147 PolarHBondContact O-N 2.85Å; V97-K148 PolarHBondContact N-O 3.39Å; V97-K148 PolarHBondContact O-N 2.72Å; V97-L150 HydrophobicContact CG2-CD1 4.23Å; V97-F194 HydrophobicContact CB-CE1 4Å; V97-F194 HydrophobicContact CB-CZ 4.24Å; V97-F194 HydrophobicContact CG1-CE1 3.79Å; V97-F194 HydrophobicContact CG1-CZ 3.91Å; V97-F194 HydrophobicContact CG2-CD1 4.3Å; V97-F194 HydrophobicContact CG2-CE1 3.74Å; V97-F194 HydrophobicContact CG2-CZ 4.46Å
98V72.1Confident59Low1 Ų147.7 Ų47.71%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-126.9134.4-172.4179.20000108.7M58 L82 L84 D96 F144 S145 E146M58-V98 HydrophobicContact CE-CB 4.4Å; M58-V98 HydrophobicContact CE-CG1 3.87Å; M58-V98 HydrophobicContact CE-CG2 4.02Å; M58-V98 HydrophobicContact SD-CG1 3.82Å; M58-V98 HydrophobicContact SD-CG2 4.42Å; L82-V98 HydrophobicContact CB-CB 4.38Å; L82-V98 WeakPolarHBondContact CB-O 2.95Å; L82-V98 PolarHBondContact N-O 3.03Å; L82-V98 PolarHBondContact O-N 3.47Å; L84-V98 HydrophobicContact CD1-CB 4.47Å; L84-V98 HydrophobicContact CD1-CG2 3.94Å; D96-V98 HydrophobicContact CB-CG2 4.07Å; V98-F144 HydrophobicContact CG1-CB 4.1Å; V98-F144 HydrophobicContact CG1-CD1 4.12Å; V98-S145 CarbonylContact C-O 3.6Å; V98-S145 WeakPolarHBondContact CA-O 3.46Å; V98-S145 WeakPolarHBondContact CG1-O 3.26Å; V98-E146 HydrophobicContact CG2-CG 4.46Å
99T72.2Confident58.2Low40 Ų4050.5 Ų50.525%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-87.3142.2165.654.20000110.7F80 L81 F144 S145 I147F80-T99 CarbonylContact O-C 3.56Å; F80-T99 VanDerWaalsContact O-CA 3.29Å; F80-T99 WeakPolarHBondContact O-CA 3.3Å; L81-T99 HydrophobicContact CD1-CG2 4.23Å; T99-F144 WeakPolarHBondContact O-CA 3.48Å; T99-S145 PolarHBondContact N-O 2.7Å; T99-S145 PolarHBondContact O-N 2.9Å; T99-S145 WeakPolarHBondContact OG1-CB 3.09Å; T99-S145 PolarHBondContact OG1-O 3.33Å; T99-I147 HydrophobicContact CG2-CD1 3.31Å; T99-I147 HydrophobicContact CG2-CG1 3.89Å
100V73.8Confident57.4Low0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-114.9123.4164.6-179.30000107.8L16 N79 F80 L82 M142 A143 F144L16-V100 HydrophobicContact CD1-CG1 4.45Å; N79-V100 WeakPolarHBondContact CA-O 3.33Å; F80-V100 HydrophobicContact CB-CB 4.44Å; F80-V100 PolarHBondContact N-O 3.19Å; F80-V100 PolarHBondContact O-N 2.84Å; L82-V100 HydrophobicContact CD1-CG2 3.38Å; L82-V100 HydrophobicContact CG-CG2 3.91Å; V100-M142 HydrophobicContact CG1-CB 3.97Å; V100-M142 HydrophobicContact CG1-CG 4.27Å; V100-M142 HydrophobicContact CG1-SD 3.8Å; V100-A143 WeakPolarHBondContact CA-O 3.24Å; V100-F144 HydrophobicContact CG2-CD1 3.51Å; V100-F144 HydrophobicContact CG2-CE1 3.6Å; V100-F144 HydrophobicContact CG2-CG 4.4Å
101S73.2Confident57Low38 Ų3848.5 Ų48.527%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-128.2155.2177.560.40000110.4N79 G103 A143N79-S101 WeakPolarHBondContact OD1-CA 3.36Å; N79-S101 WeakPolarHBondContact OD1-CB 3.36Å; S101-G103 PolarHBondContact O-N 2.98Å; S101-A143 PolarHBondContact N-O 3.21Å; S101-A143 PolarHBondContact O-N 2.8Å
102N66.3Low56.3Low81 Ų8148.2 Ų48.243%0.43326%0.259SS..EExtended strand (participates in β ladder)trans-55.7136.2169.1-71.2-35.7000110D77 M142D77-N102 PolarHBondContact O-ND2 2.74Å; N102-M142 VanDerWaalsContact OD1-CE 3.29Å; N102-M142 WeakPolarHBondContact OD1-CE 3.39Å
103G58.2Low55.3Low20 Ų2051.5 Ų51.521%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-147.4170.2179.900000111.9S101 G141S101-G103 PolarHBondContact O-N 2.98Å; G103-G141 CarbonylContact C-O 3.49Å; G103-G141 PolarHBondContact N-O 3.27Å; G103-G141 CarbonylContact O-C 3.57Å; G103-G141 PolarHBondContact O-N 2.91Å
104V51.3Low54.1Low78 Ų7855.4 Ų55.447%0.47330%0.298SS..EExtended strand (participates in β ladder)trans-103.2115.8172.8179.60000108V106 L126 R138V104-V106 HydrophobicContact CG1-CG2 4.47Å; V104-L126 WeakPolarHBondContact O-CD2 3.47Å; V104-R138 HydrophobicContact CG1-CB 3.84Å; V104-R138 HydrophobicContact CG1-CG 4.08Å
105L50.8Low52.4Low30 Ų3061.6 Ų61.616%0.15733%0.326CS..EExtended strand (participates in β ladder)trans-76.7129.1168.4-77.5172.5000109.4L55 L126 K139L55-L105 WeakPolarHBondContact O-CD1 3.43Å; L105-L126 HydrophobicContact CD2-CD2 4.41Å; L105-K139 PolarHBondContact N-O 2.93Å; L105-K139 PolarHBondContact O-N 3.4Å
106V45Very low50.5Low45 Ų4573.2 Ų73.227%0.27337%0.37SS..EExtended strand (participates in β ladder)trans-106.599.7176.1179.70000107.3V104 N108 F136V104-V106 HydrophobicContact CG1-CG2 4.47Å; V106-N108 PolarHBondContact O-N 2.9Å; V106-F136 HydrophobicContact CB-CD1 4.44Å; V106-F136 HydrophobicContact CG1-CB 4.07Å; V106-F136 HydrophobicContact CG1-CD1 3Å; V106-F136 HydrophobicContact CG1-CD2 4.32Å; V106-F136 HydrophobicContact CG1-CE1 3.22Å; V106-F136 HydrophobicContact CG1-CG 3.58Å; V106-F136 HydrophobicContact CG1-CZ 4.04Å
107E42Very low48.6Very low67 Ų6783.6 Ų83.631%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-77.6112.8173-85.2-178.4-16400109.6N109 K139E107-N109 PolarHBondContact O-N 2.85Å; E107-K139 IonicContact OE1-NZ 2.82Å; E107-K139 PolarHBondContact OE1-NZ 3.3Å; E107-K139 IonicContact OE2-NZ 2.89Å; E107-K139 PolarHBondContact OE2-NZ 3.23Å
108N40.7Very low46.3Very low76 Ų7687 Ų8741%0.40644%0.444SS..  trans-75102.6167.7-109.1-28.7000108.9V106 D110 L111 F136V106-N108 PolarHBondContact O-N 2.9Å; N108-D110 PolarHBondContact O-N 3.12Å; N108-L111 HydrophobicContact CB-CD1 3.71Å; N108-L111 HydrophobicContact CB-CG 4.16Å; N108-L111 PolarHBondContact O-N 2.87Å; N108-F136 WeakPolarHBondContact OD1-CE1 3.44Å; N108-F136 WeakPolarHBondContact OD1-CZ 3.25Å
109N38Very low44.1Very low76 Ų7692.5 Ų92.541%0.40648%0.483SS..G310 helixtrans-62.8-20.2177.1-87.7-29.7000113.1E107 L111 K112E107-N109 PolarHBondContact O-N 2.85Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 2.86Å; N109-K112 PolarHBondContact O-N 2.88Å
110D35.3Very low42Very low116 Ų11698 Ų9862%0.6250%0.504SS*.G310 helixtrans-74.2-19.7178.4-70.3-36000114.2N108 K112 K113N108-D110 PolarHBondContact O-N 3.12Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 PolarHBondContact O-N 2.83Å; D110-K113 PolarHBondContact O-N 3.35Å
111L37.2Very low39.7Very low84 Ų84108.7 Ų108.744%0.4454%0.544SS..G310 helixtrans-71.8-23176.1-77.3163000112.8N108 N109 K113 C114 F120N108-L111 HydrophobicContact CB-CD1 3.71Å; N108-L111 HydrophobicContact CB-CG 4.16Å; N108-L111 PolarHBondContact O-N 2.87Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 2.86Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.32Å; L111-C114 PolarHBondContact O-N 3.14Å; L111-F120 HydrophobicContact CD2-CE1 3.93Å; L111-F120 HydrophobicContact CD2-CZ 3.81Å
112K32.7Very low37.6Very low130 Ų130112.8 Ų112.857%0.56556%0.559SS**G310 helixtrans-70-21.9174-76.2-179.2179.8166.70112.9N109 D110N109-K112 PolarHBondContact O-N 2.88Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 PolarHBondContact O-N 2.83Å
113K31.3Very low35.8Very low177 Ų177113.5 Ų113.577%0.7757%0.566SS**THydrogen-bonded Turntrans-78.4-25.3173.8-80.7179.9178.6170.70113.2D110 L111D110-K113 PolarHBondContact O-N 3.35Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.32Å
114C30.5Very low34.8Very low83 Ų83115.9 Ų115.956%0.56158%0.58SS**G310 helixtrans-85.7-2.9178.3-71.60000114.4L111 R116 R117L111-C114 PolarHBondContact O-N 3.14Å; C114-R116 PolarHBondContact O-N 2.85Å; C114-R117 PolarHBondContact O-N 2.84Å
115Q33.6Very low33.6Very low146 Ų146118 Ų11868%0.68259%0.593SS**G310 helixtrans-64.2-1.8177.9-75.6-175.4-9.400115.3
116R31.6Very low32.9Very low244 Ų244120.7 Ų120.792%0.92161%0.607SS**G310 helixtrans-871.1173.1-77.5-172.8176.8176.1-0.3115C114C114-R116 PolarHBondContact O-N 2.85Å
117R28.6Very low32.1Very low223 Ų223121.9 Ų121.984%0.84262%0.618SS**SBendtrans-127.7126.5172.9-74.1-176.7173.5175.6-2.2110.5C114C114-R117 PolarHBondContact O-N 2.84Å
118G27.7Very low31.7Very low72 Ų72124.3 Ų124.374%0.74264%0.642SS**SBendtrans-61157.5-16400000115.9
119S26.1Very low31Very low117 Ų117125.5 Ų125.582%0.81865%0.652SS**  trans70.9106.6-179.382.30000114.7
120F28Very low30.7Very low155 Ų155130.6 Ų130.668%0.6867%0.671SS**  trans-139.4125.3166.2-129.5-94.5000110.4L111L111-F120 HydrophobicContact CD2-CE1 3.93Å; L111-F120 HydrophobicContact CD2-CZ 3.81Å
121R26.3Very low30.4Very low224 Ų224131.7 Ų131.785%0.84568%0.677SS**  trans-76114.1161.3-83.4177.1166.5174.2-5106.8T123R121-T123 PolarHBondContact O-N 3.28Å
122E29.4Very low30.3Very low125 Ų125136.5 Ų136.558%0.58470%0.697SS**  trans-71.380.9166.9-74.8-178158.700108.8R57R57-E122 IonicContact NH1-OE2 2.72Å; R57-E122 PolarHBondContact NH1-OE2 3.03Å; R57-E122 VanDerWaalsContact NH1-OE2 3.12Å
123T28.1Very low30.3Very low95 Ų95141.9 Ų141.958%0.58371%0.714SS**  trans-100.1100.9157.6-45.40000105.6R121 T125R121-T123 PolarHBondContact O-N 3.28Å; T123-T125 HydrophobicContact CG2-CG2 4.35Å; T123-T125 PolarHBondContact O-N 3.34Å
124S35.8Very low30.6Very low71 Ų71136.8 Ų136.850%0.49770%0.7SS.*  trans-62.491.616750.80000107.8L126S124-L126 PolarHBondContact O-N 2.97Å; S124-L126 VanDerWaalsContact O-N 3.14Å
125T27.4Very low30.9Very low123 Ų123140.5 Ų140.576%0.75572%0.715SS**  trans-73.5104175.647.30000108.3T123T123-T125 HydrophobicContact CG2-CG2 4.35Å; T123-T125 PolarHBondContact O-N 3.34Å
126L35.2Very low31.4Very low86 Ų86136.7 Ų136.745%0.4570%0.696SS.*  trans-72.8117.9175.2-72.3151.4000109.4V104 L105 S124 A143V104-L126 WeakPolarHBondContact O-CD2 3.47Å; L105-L126 HydrophobicContact CD2-CD2 4.41Å; S124-L126 PolarHBondContact O-N 2.97Å; S124-L126 VanDerWaalsContact O-N 3.14Å; L126-A143 HydrophobicContact CD1-CB 4.18Å
127S28.8Very low31.9Very low70 Ų70130.7 Ų130.749%0.4968%0.678SS.*  trans-92.9122.9171.561.50000110.2
128S34.3Very low32.6Very low118 Ų118128.8 Ų128.883%0.82567%0.671SS**  trans-80.90.6166.3550000113.2
129T26.3Very low34.2Very low100 Ų100129.5 Ų129.561%0.61365%0.654SS**  trans-86.3115.1179.325.70000111.8N131T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 3.44Å
130F30.3Very low36Very low183 Ų183129.9 Ų129.980%0.80365%0.646SS**  trans-67.179.7170.9-72.2-95.5000110.7
131N28.5Very low38.3Very low140 Ų140122.5 Ų122.575%0.74961%0.614SS**  trans-99.9105.3165.3-85.7-7.7000109.5T129 R133T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 3.44Å; N131-R133 PolarHBondContact O-N 2.88Å; N131-R133 VanDerWaalsContact O-N 3.12Å
132E35.8Very low40.8Very low185 Ų185112.1 Ų112.186%0.86458%0.575SS**  trans-67.297.8168.1-68.3-176.816000109.2
133R32.1Very low43.3Very low243 Ų243107.3 Ų107.392%0.91756%0.556SS**  trans165.578.5152.2-89.2154.3-168.7-150.94.6110.9N131N131-R133 PolarHBondContact O-N 2.88Å; N131-R133 VanDerWaalsContact O-N 3.12Å
134S38Very low45.9Very low70 Ų70104.7 Ų104.749%0.4954%0.537SS..SBendtrans-176.5146.215013.70000108.2F136S134-F136 VanDerWaalsContact O-CD2 3.26Å; S134-F136 WeakPolarHBondContact O-CD2 3.33Å; S134-F136 PolarHBondContact O-N 3.49Å; S134-F136 WeakPolarHBondContact OG-CE2 3.39Å
135D36.4Very low48Very low161 Ų161104.6 Ų104.686%0.86154%0.537SS*.  trans-67.968.7-179.1-78.1-31.2000112.2Q137D135-Q137 PolarHBondContact O-N 2.87Å
136F44Very low50.5Low66 Ų66103.8 Ų103.829%0.28952%0.524SS..  trans-77111.8172.6-70.4-70.5000109.7V106 N108 S134 R138V106-F136 HydrophobicContact CB-CD1 4.44Å; V106-F136 HydrophobicContact CG1-CB 4.07Å; V106-F136 HydrophobicContact CG1-CD1 3Å; V106-F136 HydrophobicContact CG1-CD2 4.32Å; V106-F136 HydrophobicContact CG1-CE1 3.22Å; V106-F136 HydrophobicContact CG1-CG 3.58Å; V106-F136 HydrophobicContact CG1-CZ 4.04Å; N108-F136 WeakPolarHBondContact OD1-CE1 3.44Å; N108-F136 WeakPolarHBondContact OD1-CZ 3.25Å; S134-F136 VanDerWaalsContact O-CD2 3.26Å; S134-F136 WeakPolarHBondContact O-CD2 3.33Å; S134-F136 PolarHBondContact O-N 3.49Å; S134-F136 WeakPolarHBondContact OG-CE2 3.39Å; F136-R138 PolarHBondContact O-N 2.83Å
137Q42.5Very low52.6Low118 Ų118103 Ų10355%0.55152%0.52SS*.EExtended strand (participates in β ladder)trans-69.3100161-76.5-170.7-1700108.1D135 K139D135-Q137 PolarHBondContact O-N 2.87Å; Q137-K139 PolarHBondContact O-N 2.99Å
138R44.9Very low55.2Low182 Ų182103.5 Ų103.569%0.68751%0.513SS*.EExtended strand (participates in β ladder)trans-68.1115.7171.7-65.4-179.5-177.2179.81.3108.3V104 F136V104-R138 HydrophobicContact CG1-CB 3.84Å; V104-R138 HydrophobicContact CG1-CG 4.08Å; F136-R138 PolarHBondContact O-N 2.83Å
139K60.3Low57.6Low88 Ų88100.3 Ų100.338%0.38349%0.489SS..EExtended strand (participates in β ladder)trans-108.7145.5172.4-70.3-179.9-173.8164.10109.5L105 E107 Q137 G141L105-K139 PolarHBondContact N-O 2.93Å; L105-K139 PolarHBondContact O-N 3.4Å; E107-K139 IonicContact OE1-NZ 2.82Å; E107-K139 PolarHBondContact OE1-NZ 3.3Å; E107-K139 IonicContact OE2-NZ 2.89Å; E107-K139 PolarHBondContact OE2-NZ 3.23Å; Q137-K139 PolarHBondContact O-N 2.99Å; K139-G141 PolarHBondContact O-N 3.29Å
140L64.5Low60.5Low124 Ų12496.3 Ų96.365%0.64946%0.464SS*.EExtended strand (participates in β ladder)trans-60.6137.3168.6-156.390000108.3
141G75.8Confident63.2Low1 Ų190.9 Ų90.91%0.0144%0.44CS..EExtended strand (participates in β ladder)trans-155-172.8176.100000112.8L55 G103 K139L55-G141 CarbonylContact O-C 3.54Å; L55-G141 WeakPolarHBondContact O-CA 3.12Å; G103-G141 CarbonylContact C-O 3.49Å; G103-G141 PolarHBondContact N-O 3.27Å; G103-G141 CarbonylContact O-C 3.57Å; G103-G141 PolarHBondContact O-N 2.91Å; K139-G141 PolarHBondContact O-N 3.29Å
142M79.4Confident66.2Low6 Ų684.2 Ų84.23%0.0341%0.405CS..EExtended strand (participates in β ladder)trans-122.8126.3-177.3-73-74.8-169.900108.9V40 L55 V100 N102V40-M142 HydrophobicContact CB-CB 4.43Å; V40-M142 HydrophobicContact CG1-CB 4.34Å; V40-M142 HydrophobicContact CG1-CG 3.93Å; L55-M142 HydrophobicContact CB-CB 4.5Å; L55-M142 HydrophobicContact CB-CG 4.2Å; L55-M142 HydrophobicContact CD1-CG 4.38Å; L55-M142 PolarHBondContact O-N 2.58Å; V100-M142 HydrophobicContact CG1-CB 3.97Å; V100-M142 HydrophobicContact CG1-CG 4.27Å; V100-M142 HydrophobicContact CG1-SD 3.8Å; N102-M142 VanDerWaalsContact OD1-CE 3.29Å; N102-M142 WeakPolarHBondContact OD1-CE 3.39Å
143A80.2Confident68.8Low23 Ų2375.4 Ų75.419%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-96.7141.5175.800000109.6V100 S101 L126V100-A143 WeakPolarHBondContact CA-O 3.24Å; S101-A143 PolarHBondContact N-O 3.21Å; S101-A143 PolarHBondContact O-N 2.8Å; L126-A143 HydrophobicContact CD1-CB 4.18Å
144F82.9Confident71.5Confident41 Ų4167.9 Ų67.918%0.1834%0.338CS..EExtended strand (participates in β ladder)trans-107.7137.8174.4-59.9-100.2000109.1I22 L38 V40 M58 L82 V98 T99 V100I22-F144 HydrophobicContact CD1-CE1 4.15Å; L38-F144 HydrophobicContact CB-CE1 4.38Å; V40-F144 HydrophobicContact CB-CZ 4.41Å; V40-F144 HydrophobicContact CG2-CE1 4.07Å; V40-F144 HydrophobicContact CG2-CZ 3.56Å; M58-F144 HydrophobicContact CB-CB 4.05Å; M58-F144 HydrophobicContact CB-CD1 3.9Å; M58-F144 HydrophobicContact CB-CD2 3.73Å; M58-F144 HydrophobicContact CB-CE1 4.22Å; M58-F144 HydrophobicContact CB-CE2 4.07Å; M58-F144 HydrophobicContact CB-CG 3.63Å; M58-F144 HydrophobicContact CB-CZ 4.28Å; M58-F144 HydrophobicContact CE-CD1 3.93Å; M58-F144 HydrophobicContact CE-CG 4.47Å; M58-F144 HydrophobicContact CG-CB 4.13Å; M58-F144 HydrophobicContact CG-CG 4.23Å; M58-F144 HydrophobicContact SD-CB 3.47Å; M58-F144 WeakPolarHBondContact SD-CB 3.18Å; M58-F144 HydrophobicContact SD-CD1 3.92Å; M58-F144 HydrophobicContact SD-CG 3.87Å; L82-F144 HydrophobicContact CD1-CE1 4.45Å; V98-F144 HydrophobicContact CG1-CB 4.1Å; V98-F144 HydrophobicContact CG1-CD1 4.12Å; T99-F144 WeakPolarHBondContact O-CA 3.48Å; V100-F144 HydrophobicContact CG2-CD1 3.51Å; V100-F144 HydrophobicContact CG2-CE1 3.6Å; V100-F144 HydrophobicContact CG2-CG 4.4Å
145S81.3Confident74Confident69 Ų6964.8 Ų64.848%0.48332%0.316SS..EExtended strand (participates in β ladder)trans-130.9121.2170.1-174.30000109.6V98 T99 I147V98-S145 CarbonylContact C-O 3.6Å; V98-S145 WeakPolarHBondContact CA-O 3.46Å; V98-S145 WeakPolarHBondContact CG1-O 3.26Å; T99-S145 PolarHBondContact N-O 2.7Å; T99-S145 PolarHBondContact O-N 2.9Å; T99-S145 WeakPolarHBondContact OG1-CB 3.09Å; T99-S145 PolarHBondContact OG1-O 3.33Å; S145-I147 PolarHBondContact O-N 3.22Å
146E79Confident76.3Confident106 Ų10660.6 Ų60.650%0.49530%0.297SS..EExtended strand (participates in β ladder)trans-72.2124.2174.1-168-174.315700109.5V98 T149V98-E146 HydrophobicContact CG2-CG 4.46Å; E146-T149 PolarHBondContact OE1-OG1 3.35Å
147I80.4Confident78.1Confident69 Ų6959.8 Ų59.835%0.35430%0.303SS..EExtended strand (participates in β ladder)trans-93.7-52.6-179.9-49.2175.4000109.9L81 V97 T99 S145 F194L81-I147 HydrophobicContact CD1-CD1 3.36Å; V97-I147 HydrophobicContact CG1-CB 4.49Å; V97-I147 HydrophobicContact CG1-CD1 3.9Å; V97-I147 WeakPolarHBondContact O-CA 3.2Å; V97-I147 VanDerWaalsContact O-CB 3.31Å; V97-I147 WeakPolarHBondContact O-CB 3.45Å; V97-I147 PolarHBondContact O-N 2.85Å; T99-I147 HydrophobicContact CG2-CD1 3.31Å; T99-I147 HydrophobicContact CG2-CG1 3.89Å; S145-I147 PolarHBondContact O-N 3.22Å; I147-F194 HydrophobicContact CG2-CE2 3.73Å; I147-F194 HydrophobicContact CG2-CZ 3.87Å
148K82.5Confident79.9Confident80 Ų8061.4 Ų61.435%0.34832%0.316SS..EExtended strand (participates in β ladder)trans-162.2134.7-172.2-161.4168.6-173.8175.30112.5V97 L150 F194V97-K148 PolarHBondContact N-O 3.39Å; V97-K148 PolarHBondContact O-N 2.72Å; K148-L150 HydrophobicContact CD-CD2 3.8Å; K148-L150 HydrophobicContact CD-CG 4.25Å; K148-L150 HydrophobicContact CG-CD2 4.09Å; K148-L150 HydrophobicContact CG-CG 4.16Å; K148-F194 HydrophobicContact CB-CD2 4.21Å; K148-F194 HydrophobicContact CB-CE2 4.16Å; K148-F194 HydrophobicContact CB-CZ 4.47Å; K148-F194 HydrophobicContact CD-CB 3.59Å; K148-F194 HydrophobicContact CD-CD1 4.47Å; K148-F194 HydrophobicContact CD-CD2 3.39Å; K148-F194 HydrophobicContact CD-CE2 4.16Å; K148-F194 HydrophobicContact CD-CG 3.58Å; K148-F194 HydrophobicContact CG-CD2 4.44Å
149T85.2Confident81.6Confident52 Ų5258 Ų5832%0.31930%0.303SS..EExtended strand (participates in β ladder)trans-91.3130.1165.2-66.10000109.6N94 Y95 D96 E146N94-T149 HydrophobicContact CB-CG2 3.4Å; N94-T149 VanDerWaalsContact CB-CG2 3.4Å; N94-T149 VanDerWaalsContact ND2-CG2 3.28Å; N94-T149 WeakPolarHBondContact ND2-CG2 3.13Å; Y95-T149 CarbonylContact O-C 3.54Å; Y95-T149 VanDerWaalsContact O-CA 3.27Å; Y95-T149 WeakPolarHBondContact O-CA 3.27Å; D96-T149 PolarHBondContact OD1-OG1 3.46Å; E146-T149 PolarHBondContact OE1-OG1 3.35Å
150L85.8Confident82.1Confident16 Ų1660 Ų608%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-130.7125.2-177.5-68169000112.3N94 Y95 V97 K148 T152 F177 F194N94-L150 CarbonylContact C-O 3.6Å; N94-L150 WeakPolarHBondContact CA-O 3.11Å; Y95-L150 PolarHBondContact N-O 3.21Å; Y95-L150 PolarHBondContact O-N 2.86Å; V97-L150 HydrophobicContact CG2-CD1 4.23Å; K148-L150 HydrophobicContact CD-CD2 3.8Å; K148-L150 HydrophobicContact CD-CG 4.25Å; K148-L150 HydrophobicContact CG-CD2 4.09Å; K148-L150 HydrophobicContact CG-CG 4.16Å; L150-T152 HydrophobicContact CB-CG2 4.25Å; L150-T152 PolarHBondContact O-N 3.24Å; L150-F177 HydrophobicContact CD1-CE2 4.42Å; L150-F177 HydrophobicContact CD1-CZ 3.68Å; L150-F194 HydrophobicContact CD1-CB 3.98Å; L150-F194 HydrophobicContact CD1-CD1 3.72Å; L150-F194 HydrophobicContact CD1-CG 4.16Å; L150-F194 HydrophobicContact CD2-CB 4.06Å
151Q88.6Confident82.8Confident68 Ų6856.5 Ų56.532%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-74.2122.2168.5-175.5174.62.300110.5N94 D153 F154 W189N94-Q151 WeakPolarHBondContact OD1-CA 3.39Å; Q151-D153 WeakPolarHBondContact CG-O 3.32Å; Q151-D153 PolarHBondContact NE2-O 2.86Å; Q151-D153 VanDerWaalsContact NE2-O 3.12Å; Q151-F154 HydrophobicContact CB-CE1 4.45Å; Q151-F154 HydrophobicContact CB-CZ 4.41Å; Q151-F154 HydrophobicContact CG-CD1 4.31Å; Q151-F154 HydrophobicContact CG-CE1 3.85Å; Q151-F154 HydrophobicContact CG-CZ 4.02Å; Q151-F154 WeakPolarHBondContact O-CZ 3.43Å; Q151-W189 WeakPolarHBondContact O-CH2 3.43Å
152T89.8Confident83.1Confident1 Ų156.5 Ų56.51%0.00631%0.307CS..  trans-123.4-12.5-173.454.20000115.3Y95 L150 Q165 R187 W189Y95-T152 HydrophobicContact CD2-CG2 3.36Å; Y95-T152 WeakPolarHBondContact CD2-OG1 3.37Å; Y95-T152 HydrophobicContact CE2-CG2 3.79Å; Y95-T152 WeakPolarHBondContact CE2-OG1 3.24Å; L150-T152 HydrophobicContact CB-CG2 4.25Å; L150-T152 PolarHBondContact O-N 3.24Å; T152-Q165 WeakPolarHBondContact OG1-CG 3.49Å; T152-R187 PolarHBondContact O-NH1 2.81Å; T152-W189 HydrophobicContact CG2-CH2 4.24Å; T152-W189 HydrophobicContact CG2-CZ2 3.52Å
153D90.4Very high83.5Confident0 Ų056.8 Ų56.80%031%0.31CS..  trans-121.4142.6169.5-173-85.9000109.4S93 Q151 T155 P163 F164 Q165 G181 S182 D183S93-D153 WeakPolarHBondContact OG-CB 3.46Å; Q151-D153 WeakPolarHBondContact CG-O 3.32Å; Q151-D153 PolarHBondContact NE2-O 2.86Å; Q151-D153 VanDerWaalsContact NE2-O 3.12Å; D153-T155 WeakPolarHBondContact OD1-CB 3.09Å; D153-T155 PolarHBondContact OD1-N 3.38Å; D153-T155 PolarHBondContact OD1-OG1 2.73Å; D153-P163 HydrophobicContact CB-CB 4.26Å; D153-P163 WeakPolarHBondContact OD1-CA 3.26Å; D153-F164 PolarHBondContact OD1-N 3.48Å; D153-F164 VanDerWaalsContact OD1-N 3.16Å; D153-Q165 HydrophobicContact CB-CB 4.15Å; D153-G181 VanDerWaalsContact OD2-C 3.26Å; D153-G181 VanDerWaalsContact OD2-CA 3.24Å; D153-G181 WeakPolarHBondContact OD2-CA 3.23Å; D153-S182 PolarHBondContact OD2-N 3.22Å; D153-D183 PolarHBondContact OD2-N 2.8Å
154F90.6Very high83.9Confident85 Ų8558.9 Ų58.937%0.37331%0.314SS..  trans-125.626.8-175.2-58.9-93.7000111.4Q151 D183Q151-F154 HydrophobicContact CB-CE1 4.45Å; Q151-F154 HydrophobicContact CB-CZ 4.41Å; Q151-F154 HydrophobicContact CG-CD1 4.31Å; Q151-F154 HydrophobicContact CG-CE1 3.85Å; Q151-F154 HydrophobicContact CG-CZ 4.02Å; Q151-F154 WeakPolarHBondContact O-CZ 3.43Å; F154-D183 PolarHBondContact N-OD2 3.28Å
155T89.2Confident84.1Confident4 Ų457 Ų573%0.02531%0.306CS..  trans-58.6129.9174.2-55.20000109.3D153 A157 R159 P163 S182 D183D153-T155 WeakPolarHBondContact OD1-CB 3.09Å; D153-T155 PolarHBondContact OD1-N 3.38Å; D153-T155 PolarHBondContact OD1-OG1 2.73Å; T155-A157 PolarHBondContact O-N 3.32Å; T155-R159 HydrophobicContact CG2-CB 4Å; T155-R159 HydrophobicContact CG2-CG 4.07Å; T155-R159 WeakPolarHBondContact CG2-O 3.16Å; T155-P163 VanDerWaalsContact O-CD 3.28Å; T155-P163 WeakPolarHBondContact O-CD 3.36Å; T155-P163 WeakPolarHBondContact O-CG 3.43Å; T155-S182 VanDerWaalsContact OG1-C 3.29Å; T155-D183 PolarHBondContact OG1-N 3.06Å
156P86Confident84.7Confident73 Ų7355 Ų5547%0.47429%0.289SS..  trans-55.1139.9176.5-29.237.3000112.3N158 R159P156-N158 WeakPolarHBondContact CB-OD1 3.08Å; P156-N158 PolarHBondContact O-N 2.97Å; P156-R159 HydrophobicContact CB-CB 4.45Å; P156-R159 PolarHBondContact O-N 3.41Å
157A81.1Confident85.4Confident50 Ų5050.2 Ų50.241%0.41327%0.267SS..THydrogen-bonded Turntrans-54.5-27.1-178.300000114.3F90 L91 T155F90-A157 VanDerWaalsContact O-CB 3.29Å; F90-A157 WeakPolarHBondContact O-CB 3.35Å; L91-A157 HydrophobicContact CD2-CB 4.47Å; T155-A157 PolarHBondContact O-N 3.32Å
158N81.2Confident86.1Confident151 Ų15146.9 Ų46.981%0.80725%0.25SC*.THydrogen-bonded Turntrans-82.8-7.9178.664-11.3000114.1P156P156-N158 WeakPolarHBondContact CB-OD1 3.08Å; P156-N158 PolarHBondContact O-N 2.97Å
159R79.2Confident86.7Confident112 Ų11244.6 Ų44.642%0.42324%0.239SC..SBendtrans-111.1127.5-177.5-179.1176.4179.2-168.7-4109.7T155 P156 G161 G162T155-R159 HydrophobicContact CG2-CB 4Å; T155-R159 HydrophobicContact CG2-CG 4.07Å; T155-R159 WeakPolarHBondContact CG2-O 3.16Å; P156-R159 HydrophobicContact CB-CB 4.45Å; P156-R159 PolarHBondContact O-N 3.41Å; R159-G161 PolarHBondContact O-N 2.84Å; R159-G162 PolarHBondContact O-N 2.86Å
160H72Confident87.2Confident128 Ų12843 Ų4359%0.59323%0.228SC*.THydrogen-bonded Turntrans53.425173.7-56.6-55.1000116.3
161G77.7Confident87.7Confident51 Ų5142.2 Ų42.253%0.52622%0.224SC..THydrogen-bonded Turntrans88.32.9-178.100000114.7F90 R159F90-G161 WeakPolarHBondContact CD1-O 3.39Å; R159-G161 PolarHBondContact O-N 2.84Å
162G83.2Confident88Confident1 Ų141.4 Ų41.41%0.0122%0.224CC..SBendtrans101.3-165.3-179.800000113.1R159 F164R159-G162 PolarHBondContact O-N 2.86Å; G162-F164 PolarHBondContact O-N 2.9Å
163P87.4Confident88.2Confident13 Ų1344.8 Ų44.88%0.08425%0.247CC..  trans-56.2128.5-179.3-24.633000111.6S93 D153 T155S93-P163 WeakPolarHBondContact CB-O 3.27Å; S93-P163 WeakPolarHBondContact OG-CB 3.5Å; D153-P163 HydrophobicContact CB-CB 4.26Å; D153-P163 WeakPolarHBondContact OD1-CA 3.26Å; T155-P163 VanDerWaalsContact O-CD 3.28Å; T155-P163 WeakPolarHBondContact O-CD 3.36Å; T155-P163 WeakPolarHBondContact O-CG 3.43Å
164F87.6Confident88.3Confident66 Ų6645.5 Ų45.529%0.28925%0.254SS..  trans-143.5108.9177-178.6-119.3000111.2D153 G162 K166 G181 S182D153-F164 PolarHBondContact OD1-N 3.48Å; D153-F164 VanDerWaalsContact OD1-N 3.16Å; G162-F164 PolarHBondContact O-N 2.9Å; F164-K166 HydrophobicContact CD1-CD 4.42Å; F164-K166 HydrophobicContact CD1-CG 3.8Å; F164-K166 HydrophobicContact CE1-CD 4.31Å; F164-K166 HydrophobicContact CE1-CG 3.64Å; F164-K166 HydrophobicContact CZ-CG 4.46Å; F164-G181 WeakPolarHBondContact O-CA 3.34Å; F164-S182 WeakPolarHBondContact CB-OG 3.46Å; F164-S182 WeakPolarHBondContact CD1-OG 3.44Å; F164-S182 WeakPolarHBondContact O-CB 3.26Å; F164-S182 PolarHBondContact O-N 3.42Å; F164-S182 PolarHBondContact O-OG 2.92Å
165Q89Confident88.4Confident2 Ų243.9 Ų43.91%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-92.8133.7-179.4164.4-98.4-70.400110.7N67 Y95 T152 D153N67-Q165 VanDerWaalsContact CG-NE2 3.28Å; N67-Q165 PolarHBondContact ND2-NE2 3.26Å; N67-Q165 PolarHBondContact ND2-O 2.75Å; N67-Q165 PolarHBondContact OD1-NE2 3.31Å; Y95-Q165 HydrophobicContact CD2-CG 4.24Å; Y95-Q165 HydrophobicContact CE1-CG 4.32Å; Y95-Q165 VanDerWaalsContact CE1-NE2 3.29Å; Y95-Q165 HydrophobicContact CE2-CG 3.33Å; Y95-Q165 WeakPolarHBondContact OH-CG 3.03Å; Y95-Q165 PolarHBondContact OH-NE2 3.41Å; T152-Q165 WeakPolarHBondContact OG1-CG 3.49Å; D153-Q165 HydrophobicContact CB-CB 4.15Å
166K92Very high88.7Confident28 Ų2844.9 Ų44.912%0.12226%0.261CS..EExtended strand (participates in β ladder)trans-111.8-29.4-165.5-71.3-174.5171.1-176.30114.9N67 F164 G180 D206 V207 D208N67-K166 PolarHBondContact ND2-O 2.69Å; F164-K166 HydrophobicContact CD1-CD 4.42Å; F164-K166 HydrophobicContact CD1-CG 3.8Å; F164-K166 HydrophobicContact CE1-CD 4.31Å; F164-K166 HydrophobicContact CE1-CG 3.64Å; F164-K166 HydrophobicContact CZ-CG 4.46Å; K166-G180 PolarHBondContact N-O 3.22Å; K166-D206 HydrophobicContact CD-CB 4.18Å; K166-D206 WeakPolarHBondContact CE-OD2 3.49Å; K166-D206 IonicContact NZ-OD2 3.62Å; K166-D206 PolarHBondContact NZ-OD2 3.35Å; K166-V207 WeakPolarHBondContact CD-O 3.47Å; K166-D208 IonicContact NZ-OD1 2.77Å; K166-D208 PolarHBondContact NZ-OD1 2.82Å
167V94.5Very high89.2Confident4 Ų441.4 Ų41.42%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-154.8134.6-17257.70000111.6Y95 S179 G180 V207 L210Y95-V167 PolarHBondContact OH-O 3.06Å; V167-S179 CarbonylContact O-C 3.54Å; V167-S179 VanDerWaalsContact O-CA 3.32Å; V167-S179 WeakPolarHBondContact O-CA 3.18Å; V167-G180 PolarHBondContact N-O 3.49Å; V167-G180 PolarHBondContact O-N 3.19Å; V167-V207 HydrophobicContact CG1-CG1 4.35Å; V167-L210 HydrophobicContact CB-CG 4.3Å; V167-L210 HydrophobicContact CG1-CB 4.35Å; V167-L210 HydrophobicContact CG1-CD2 3.62Å; V167-L210 HydrophobicContact CG1-CG 3.59Å; V167-L210 HydrophobicContact CG2-CD1 4.29Å; V167-L210 HydrophobicContact CG2-CG 3.8Å
168V94.7Very high89.9Confident0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-123.9145.7165.648.80000109.5D69 A83 Y95 F177 V178D69-V168 HydrophobicContact CB-CG1 3.89Å; A83-V168 HydrophobicContact CB-CB 4.33Å; A83-V168 HydrophobicContact CB-CG1 3.81Å; A83-V168 HydrophobicContact CB-CG2 3.74Å; Y95-V168 HydrophobicContact CD1-CB 4.39Å; Y95-V168 HydrophobicContact CD1-CG1 4.1Å; Y95-V168 HydrophobicContact CE1-CB 3.46Å; Y95-V168 VanDerWaalsContact CE1-CB 3.46Å; Y95-V168 HydrophobicContact CE1-CG1 3.22Å; Y95-V168 HydrophobicContact CE1-CG2 4.31Å; Y95-V168 HydrophobicContact CE2-CB 4.27Å; Y95-V168 WeakPolarHBondContact OH-CA 3.1Å; Y95-V168 WeakPolarHBondContact OH-CB 3.16Å; Y95-V168 PolarHBondContact OH-N 3.14Å; V168-F177 HydrophobicContact CG2-CB 4.34Å; V168-F177 HydrophobicContact CG2-CD2 3.94Å; V168-V178 CarbonylContact C-O 3.46Å; V168-V178 VanDerWaalsContact CA-O 3.23Å; V168-V178 WeakPolarHBondContact CA-O 3.42Å
169R96.2Very high90.6Very high32 Ų3231.9 Ų31.912%0.12118%0.18CC..EExtended strand (participates in β ladder)trans-134.9131.8163.2-65.4-67.5179.8-96.7-13.3111D69 F177 V178 D209 L210 D211 I212D69-R169 VanDerWaalsContact OD2-CA 3.27Å; D69-R169 WeakPolarHBondContact OD2-CA 3.38Å; R169-F177 CarbonylContact O-C 3.53Å; R169-F177 VanDerWaalsContact O-CA 3.26Å; R169-F177 WeakPolarHBondContact O-CA 3.27Å; R169-F177 VanDerWaalsContact O-CB 3.32Å; R169-F177 WeakPolarHBondContact O-CB 3.34Å; R169-V178 PolarHBondContact N-O 3.43Å; R169-V178 PolarHBondContact O-N 2.83Å; R169-D209 IonicContact NH2-OD1 3.19Å; R169-D209 PolarHBondContact NH2-OD1 2.99Å; R169-L210 HydrophobicContact CB-CD1 3.81Å; R169-L210 HydrophobicContact CG-CD1 3.63Å; R169-L210 WeakPolarHBondContact CG-O 3.48Å; R169-D211 IonicContact NE-OD1 2.7Å; R169-I212 HydrophobicContact CB-CD1 4.03Å; R169-I212 HydrophobicContact CB-CG1 4.33Å; R169-I212 WeakPolarHBondContact O-CD1 3.32Å
170F96.2Very high91.4Very high18 Ų1826.6 Ų26.68%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-71.2138.6164.3-71-75.9000110D69 F71 L81 A83 F177D69-F170 HydrophobicContact CB-CD2 4.11Å; D69-F170 HydrophobicContact CB-CE2 4.41Å; D69-F170 PolarHBondContact OD2-N 3.35Å; F71-F170 HydrophobicContact CB-CB 3.8Å; F71-F170 HydrophobicContact CB-CD1 4.05Å; F71-F170 HydrophobicContact CB-CD2 3.67Å; F71-F170 HydrophobicContact CB-CE2 4.21Å; F71-F170 HydrophobicContact CB-CG 3.57Å; F71-F170 HydrophobicContact CD2-CB 4.1Å; F71-F170 HydrophobicContact CG-CB 4.24Å; F71-F170 HydrophobicContact CG-CG 4.37Å; L81-F170 HydrophobicContact CB-CZ 4.36Å; L81-F170 HydrophobicContact CD2-CD1 4.16Å; L81-F170 HydrophobicContact CD2-CE1 3.36Å; L81-F170 HydrophobicContact CD2-CZ 3.7Å; L81-F170 HydrophobicContact CG-CE1 3.93Å; L81-F170 HydrophobicContact CG-CZ 3.7Å; A83-F170 HydrophobicContact CB-CE1 4.49Å; A83-F170 HydrophobicContact CB-CE2 3.65Å; A83-F170 HydrophobicContact CB-CZ 3.54Å; F170-F177 HydrophobicContact CD1-CB 3.66Å; F170-F177 HydrophobicContact CD1-CD1 4.35Å; F170-F177 HydrophobicContact CD1-CG 4.27Å; F170-F177 HydrophobicContact CE1-CB 4.07Å; F170-F177 HydrophobicContact CE1-CD1 4.09Å; F170-F177 HydrophobicContact CE1-CG 4.2Å; F170-F177 HydrophobicContact CG-CB 4.28Å
171A96.2Very high92.4Very high0 Ų020.5 Ų20.50%013%0.132CC..  trans-68.9139.4171.700000109.5C173 G174 F176 I212A171-C173 PolarHBondContact O-N 2.81Å; A171-C173 VanDerWaalsContact O-N 3.09Å; A171-G174 PolarHBondContact O-N 3.23Å; A171-F176 HydrophobicContact CB-CD1 4.02Å; A171-F176 HydrophobicContact CB-CD2 3.67Å; A171-F176 HydrophobicContact CB-CE1 3.84Å; A171-F176 HydrophobicContact CB-CE2 3.48Å; A171-F176 VanDerWaalsContact CB-CE2 3.48Å; A171-F176 HydrophobicContact CB-CG 3.94Å; A171-F176 HydrophobicContact CB-CZ 3.57Å; A171-F176 WeakPolarHBondContact CB-O 3.44Å; A171-F176 PolarHBondContact N-O 3.34Å; A171-I212 HydrophobicContact CB-CD1 4.04Å; A171-I212 HydrophobicContact CB-CG2 4.4Å
172P94Very high93.1Very high50 Ų5018.2 Ų18.233%0.32511%0.109SC..THydrogen-bonded Turntrans-56.4-26.9177.3-28.936.8000114.3G174 S216 F265P172-G174 PolarHBondContact O-N 2.94Å; P172-S216 WeakPolarHBondContact CD-OG 3.39Å; P172-F265 HydrophobicContact CG-CE2 4.11Å; P172-F265 HydrophobicContact CG-CZ 3.76Å
173C93.1Very high93.6Very high73 Ų7319.6 Ų19.649%0.49312%0.116SC..THydrogen-bonded Turntrans-72.8-11.6175.266.30000114.2A171 A175 S216A171-C173 PolarHBondContact O-N 2.81Å; A171-C173 VanDerWaalsContact O-N 3.09Å; C173-A175 PolarHBondContact O-N 2.92Å; C173-S216 WeakPolarHBondContact CB-OG 3.37Å; C173-S216 PolarHBondContact N-OG 3.35Å; C173-S216 PolarHBondContact SG-OG 2.88Å
174G92.4Very high93.9Very high14 Ų1419 Ų1914%0.14411%0.112CC..SBendtrans72.5-1.3-179.100000115.5A171 P172 Y191A171-G174 PolarHBondContact O-N 3.23Å; P172-G174 PolarHBondContact O-N 2.94Å; G174-Y191 VanDerWaalsContact O-CD1 3.31Å; G174-Y191 WeakPolarHBondContact O-CD1 3.16Å
175A94.1Very high94.3Very high52 Ų5217.9 Ų17.943%0.4311%0.107SC..SBendtrans-84-17.8-17500000114.1C173 Y191C173-A175 PolarHBondContact O-N 2.92Å; A175-Y191 PolarHBondContact O-N 2.88Å
176F95.8Very high94.7Very high25 Ų2517.8 Ų17.811%0.1111%0.107CC..EExtended strand (participates in β ladder)trans-158.3171.3-179.562.3-90.9000111.3A171 V178 V188 W189 I212 L233A171-F176 HydrophobicContact CB-CD1 4.02Å; A171-F176 HydrophobicContact CB-CD2 3.67Å; A171-F176 HydrophobicContact CB-CE1 3.84Å; A171-F176 HydrophobicContact CB-CE2 3.48Å; A171-F176 VanDerWaalsContact CB-CE2 3.48Å; A171-F176 HydrophobicContact CB-CG 3.94Å; A171-F176 HydrophobicContact CB-CZ 3.57Å; A171-F176 WeakPolarHBondContact CB-O 3.44Å; A171-F176 PolarHBondContact N-O 3.34Å; F176-V178 HydrophobicContact CD2-CG2 4.09Å; F176-V178 HydrophobicContact CE2-CG2 4.05Å; F176-V188 HydrophobicContact CB-CG1 4.08Å; F176-V188 HydrophobicContact CD2-CG1 3.54Å; F176-V188 HydrophobicContact CE2-CG1 4.16Å; F176-V188 HydrophobicContact CG-CG1 3.96Å; F176-W189 CarbonylContact C-O 3.53Å; F176-W189 WeakPolarHBondContact CA-O 3.23Å; F176-W189 WeakPolarHBondContact CB-O 3.41Å; F176-I212 HydrophobicContact CE2-CD1 4.27Å; F176-L233 HydrophobicContact CE2-CD1 3.93Å; F176-L233 HydrophobicContact CZ-CD1 3.86Å
177F95.8Very high94.9Very high0 Ų016.8 Ų16.80%010%0.102CC..EExtended strand (participates in β ladder)trans-137.7157.6168.360.1-84.7000110.1L150 V168 R169 F170 W189 F194L150-F177 HydrophobicContact CD1-CE2 4.42Å; L150-F177 HydrophobicContact CD1-CZ 3.68Å; V168-F177 HydrophobicContact CG2-CB 4.34Å; V168-F177 HydrophobicContact CG2-CD2 3.94Å; R169-F177 CarbonylContact O-C 3.53Å; R169-F177 VanDerWaalsContact O-CA 3.26Å; R169-F177 WeakPolarHBondContact O-CA 3.27Å; R169-F177 VanDerWaalsContact O-CB 3.32Å; R169-F177 WeakPolarHBondContact O-CB 3.34Å; F170-F177 HydrophobicContact CD1-CB 3.66Å; F170-F177 HydrophobicContact CD1-CD1 4.35Å; F170-F177 HydrophobicContact CD1-CG 4.27Å; F170-F177 HydrophobicContact CE1-CB 4.07Å; F170-F177 HydrophobicContact CE1-CD1 4.09Å; F170-F177 HydrophobicContact CE1-CG 4.2Å; F170-F177 HydrophobicContact CG-CB 4.28Å; F177-W189 HydrophobicContact CD1-CB 4.03Å; F177-W189 HydrophobicContact CD2-CB 4.04Å; F177-W189 AromaticContact CD2-CD1 3.75Å; F177-W189 HydrophobicContact CD2-CG 4.16Å; F177-W189 HydrophobicContact CE1-CB 3.58Å; F177-W189 HydrophobicContact CE1-CG 4.43Å; F177-W189 HydrophobicContact CE2-CB 3.6Å; F177-W189 AromaticContact CE2-CD1 3.43Å; F177-W189 VanDerWaalsContact CE2-CD1 3.43Å; F177-W189 HydrophobicContact CE2-CD2 4.5Å; F177-W189 AromaticContact CE2-CG 3.57Å; F177-W189 HydrophobicContact CE2-CG 3.57Å; F177-W189 HydrophobicContact CG-CB 4.25Å; F177-W189 HydrophobicContact CZ-CB 3.35Å; F177-W189 AromaticContact CZ-CG 3.73Å; F177-W189 HydrophobicContact CZ-CG 3.73Å; F177-W189 PolarHBondContact N-O 2.97Å; F177-W189 PolarHBondContact O-N 3.13Å; F177-F194 AromaticContact CE1-CD1 3.79Å; F177-F194 HydrophobicContact CE1-CD1 3.79Å; F177-F194 HydrophobicContact CE1-CE1 4.08Å; F177-F194 HydrophobicContact CZ-CD1 4.05Å
178V96.7Very high95Very high0 Ų016.7 Ų16.70%010%0.102CC..EExtended strand (participates in β ladder)trans-118.3134.2-178-174.20000109.6V168 R169 F176 F186 R187 V188 L210 I212 L219V168-V178 CarbonylContact C-O 3.46Å; V168-V178 VanDerWaalsContact CA-O 3.23Å; V168-V178 WeakPolarHBondContact CA-O 3.42Å; R169-V178 PolarHBondContact N-O 3.43Å; R169-V178 PolarHBondContact O-N 2.83Å; F176-V178 HydrophobicContact CD2-CG2 4.09Å; F176-V178 HydrophobicContact CE2-CG2 4.05Å; V178-F186 HydrophobicContact CG1-CB 4.16Å; V178-F186 HydrophobicContact CG1-CD2 4.11Å; V178-R187 CarbonylContact C-O 3.53Å; V178-R187 VanDerWaalsContact CA-O 3.24Å; V178-R187 WeakPolarHBondContact CA-O 3.08Å; V178-R187 WeakPolarHBondContact CG1-O 3.47Å; V178-V188 HydrophobicContact CG2-CG1 4.38Å; V178-V188 HydrophobicContact CG2-CG2 4Å; V178-L210 HydrophobicContact CB-CD1 4.17Å; V178-L210 HydrophobicContact CG1-CD1 4.23Å; V178-L210 HydrophobicContact CG1-CD2 3.94Å; V178-I212 HydrophobicContact CB-CD1 4.09Å; V178-I212 HydrophobicContact CG2-CD1 3.64Å; V178-I212 HydrophobicContact CG2-CG1 4.16Å; V178-L219 HydrophobicContact CB-CD1 4.27Å; V178-L219 HydrophobicContact CG1-CD1 3.9Å; V178-L219 HydrophobicContact CG1-CD2 4.04Å; V178-L219 HydrophobicContact CG2-CD1 4.34Å
179S95.3Very high95Very high0 Ų017.3 Ų17.30%010%0.104CC..EExtended strand (participates in β ladder)trans-116.2149.7174.562.80000111.5V167 F186 R187 W189V167-S179 CarbonylContact O-C 3.54Å; V167-S179 VanDerWaalsContact O-CA 3.32Å; V167-S179 WeakPolarHBondContact O-CA 3.18Å; S179-F186 CarbonylContact O-C 3.58Å; S179-F186 WeakPolarHBondContact O-CA 3.42Å; S179-R187 PolarHBondContact N-O 3.27Å; S179-R187 PolarHBondContact O-N 2.65Å; S179-W189 PolarHBondContact OG-NE1 3.44Å
180G94.9Very high95Very high1 Ų116.2 Ų16.21%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-136.9145.5170.800000111.8K166 V167 H185K166-G180 PolarHBondContact N-O 3.22Å; V167-G180 PolarHBondContact N-O 3.49Å; V167-G180 PolarHBondContact O-N 3.19Å; G180-H185 WeakPolarHBondContact CA-O 3.47Å
181G92.9Very high94.7Very high0 Ų018.1 Ų18.10%011%0.109CC..EExtended strand (participates in β ladder)trans-142.3-166.6-173.100000114.6D153 F164 D183 D206 V207D153-G181 VanDerWaalsContact OD2-C 3.26Å; D153-G181 VanDerWaalsContact OD2-CA 3.24Å; D153-G181 WeakPolarHBondContact OD2-CA 3.23Å; F164-G181 WeakPolarHBondContact O-CA 3.34Å; G181-D183 VanDerWaalsContact C-N 3.32Å; G181-D206 WeakPolarHBondContact O-CA 3.23Å; G181-V207 PolarHBondContact O-N 2.84Å
182S92.6Very high94.4Very high4 Ų422.7 Ų22.73%0.02814%0.139CC..THydrogen-bonded Turntrans-82.7-10-178.6-51.30000113D153 T155 F164 G184 D206D153-S182 PolarHBondContact OD2-N 3.22Å; T155-S182 VanDerWaalsContact OG1-C 3.29Å; F164-S182 WeakPolarHBondContact CB-OG 3.46Å; F164-S182 WeakPolarHBondContact CD1-OG 3.44Å; F164-S182 WeakPolarHBondContact O-CB 3.26Å; F164-S182 PolarHBondContact O-N 3.42Å; F164-S182 PolarHBondContact O-OG 2.92Å; S182-G184 PolarHBondContact O-N 3Å; S182-D206 WeakPolarHBondContact CA-OD1 3.18Å
183D93.3Very high94.3Very high30 Ų3023 Ų2316%0.1614%0.142CC..THydrogen-bonded Turntrans-75.6-7.3169.965.88.6000113.2D153 F154 T155 G181 H185 R187D153-D183 PolarHBondContact OD2-N 2.8Å; F154-D183 PolarHBondContact N-OD2 3.28Å; T155-D183 PolarHBondContact OG1-N 3.06Å; G181-D183 VanDerWaalsContact C-N 3.32Å; D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-CD2 3.26Å; D183-H185 PolarHBondContact O-N 3.12Å; D183-H185 WeakPolarHBondContact OD1-CB 3.33Å; D183-H185 PolarHBondContact OD1-N 3.02Å; D183-R187 IonicContact OD1-NH1 3.98Å; D183-R187 PolarHBondContact OD1-NH1 3.06Å; D183-R187 IonicContact OD2-CZ 3.63Å; D183-R187 IonicContact OD2-NH1 2.73Å; D183-R187 PolarHBondContact OD2-NH1 3.43Å; D183-R187 IonicContact OD2-NH2 2.92Å; D183-R187 PolarHBondContact OD2-NH2 2.96Å
184G94.9Very high94.2Very high0 Ų020.4 Ų20.40%012%0.123CC..SBendtrans82.41.8178.700000114.3S182 A202 H203 D205 V207S182-G184 PolarHBondContact O-N 3Å; G184-A202 PolarHBondContact O-N 3.06Å; G184-H203 WeakPolarHBondContact CA-O 3.23Å; G184-H203 PolarHBondContact O-N 2.96Å; G184-D205 VanDerWaalsContact CA-O 3.23Å; G184-D205 WeakPolarHBondContact CA-O 3.34Å; G184-V207 WeakPolarHBondContact O-CG2 3.34Å
185H96.6Very high94.3Very high43 Ų4326.9 Ų26.920%0.19915%0.147CC..EExtended strand (participates in β ladder)trans-90.2150178.3-72.5-129.1000111.7G180 D183 D199 H200 V207G180-H185 WeakPolarHBondContact CA-O 3.47Å; D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-CD2 3.26Å; D183-H185 PolarHBondContact O-N 3.12Å; D183-H185 WeakPolarHBondContact OD1-CB 3.33Å; D183-H185 PolarHBondContact OD1-N 3.02Å; H185-D199 IonicContact CE1-OD1 3.27Å; H185-D199 IonicContact CG-OD1 3.91Å; H185-D199 IonicContact ND1-OD1 2.78Å; H185-D199 PolarHBondContact ND1-OD1 2.99Å; H185-H200 CarbonylContact C-O 3.57Å; H185-H200 WeakPolarHBondContact CA-O 3.42Å; H185-H200 WeakPolarHBondContact CB-O 3.24Å; H185-V207 WeakPolarHBondContact O-CG2 3.3Å
186F96.9Very high94.3Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-104.6149152.374.9-96.1000109.8V178 S179 V188 H200 A202 L219 T221 W231V178-F186 HydrophobicContact CG1-CB 4.16Å; V178-F186 HydrophobicContact CG1-CD2 4.11Å; S179-F186 CarbonylContact O-C 3.58Å; S179-F186 WeakPolarHBondContact O-CA 3.42Å; F186-V188 HydrophobicContact CD2-CG2 4.22Å; F186-V188 HydrophobicContact CE2-CG2 4.13Å; F186-H200 HydrophobicContact CD1-CB 4.13Å; F186-H200 HydrophobicContact CD2-CB 4.45Å; F186-H200 HydrophobicContact CE1-CB 3.59Å; F186-H200 AromaticContact CE1-CD2 3.63Å; F186-H200 AromaticContact CE1-CG 3.82Å; F186-H200 HydrophobicContact CE2-CB 3.94Å; F186-H200 HydrophobicContact CZ-CB 3.48Å; F186-H200 VanDerWaalsContact CZ-CB 3.48Å; F186-H200 AromaticContact CZ-CG 3.85Å; F186-H200 PolarHBondContact N-O 2.81Å; F186-H200 PolarHBondContact O-N 2.77Å; F186-A202 HydrophobicContact CD1-CB 3.53Å; F186-A202 HydrophobicContact CE1-CB 3.9Å; F186-L219 HydrophobicContact CB-CD2 4.38Å; F186-L219 HydrophobicContact CD1-CD2 4Å; F186-L219 HydrophobicContact CD2-CD2 3.47Å; F186-L219 VanDerWaalsContact CD2-CD2 3.47Å; F186-L219 HydrophobicContact CE1-CD2 4.11Å; F186-L219 HydrophobicContact CE2-CD2 3.61Å; F186-L219 HydrophobicContact CG-CD2 3.69Å; F186-L219 HydrophobicContact CZ-CD2 3.93Å; F186-T221 HydrophobicContact CB-CG2 4.3Å; F186-T221 HydrophobicContact CD1-CG2 3.88Å; F186-T221 HydrophobicContact CG-CG2 4.28Å; F186-W231 AromaticContact CE1-CD2 3.76Å; F186-W231 HydrophobicContact CE1-CD2 3.76Å; F186-W231 AromaticContact CE1-CE2 3.81Å; F186-W231 HydrophobicContact CE1-CE3 4.15Å; F186-W231 HydrophobicContact CE1-CG 4.05Å; F186-W231 HydrophobicContact CE1-CZ2 4.27Å; F186-W231 HydrophobicContact CZ-CD2 4.18Å; F186-W231 HydrophobicContact CZ-CE3 4.39Å; F186-W231 HydrophobicContact CZ-CG 4.25Å
187R96.1Very high94.2Very high6 Ų632.1 Ų32.12%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-132.6135.5179.5-63.1-179.5175.681.712.5110.3T152 V178 S179 D183 W189 W198 D199T152-R187 PolarHBondContact O-NH1 2.81Å; V178-R187 CarbonylContact C-O 3.53Å; V178-R187 VanDerWaalsContact CA-O 3.24Å; V178-R187 WeakPolarHBondContact CA-O 3.08Å; V178-R187 WeakPolarHBondContact CG1-O 3.47Å; S179-R187 PolarHBondContact N-O 3.27Å; S179-R187 PolarHBondContact O-N 2.65Å; D183-R187 IonicContact OD1-NH1 3.98Å; D183-R187 PolarHBondContact OD1-NH1 3.06Å; D183-R187 IonicContact OD2-CZ 3.63Å; D183-R187 IonicContact OD2-NH1 2.73Å; D183-R187 PolarHBondContact OD2-NH1 3.43Å; D183-R187 IonicContact OD2-NH2 2.92Å; D183-R187 PolarHBondContact OD2-NH2 2.96Å; R187-W189 HydrophobicContact CB-CZ2 3.85Å; R187-W189 HydrophobicContact CG-CZ2 4.38Å; R187-W198 VanDerWaalsContact CA-O 3.25Å; R187-W198 WeakPolarHBondContact CA-O 3.41Å; R187-D199 HydrophobicContact CG-CB 4.47Å; R187-D199 IonicContact CZ-OD1 3.47Å; R187-D199 IonicContact CZ-OD2 2.75Å; R187-D199 IonicContact NE-OD1 2.93Å; R187-D199 PolarHBondContact NE-OD1 3.36Å; R187-D199 VanDerWaalsContact NE-OD1 3.1Å; R187-D199 IonicContact NE-OD2 3.04Å; R187-D199 PolarHBondContact NE-OD2 3.46Å; R187-D199 IonicContact NH2-OD1 3.35Å; R187-D199 PolarHBondContact NH2-OD1 3.06Å; R187-D199 VanDerWaalsContact NH2-OD1 3.13Å; R187-D199 IonicContact NH2-OD2 3.25Å
188V96.8Very high94.2Very high2 Ų237 Ų371%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-103.4127.5177.1-174.10000108.2F176 V178 F186 Q197 W198 L233F176-V188 HydrophobicContact CB-CG1 4.08Å; F176-V188 HydrophobicContact CD2-CG1 3.54Å; F176-V188 HydrophobicContact CE2-CG1 4.16Å; F176-V188 HydrophobicContact CG-CG1 3.96Å; V178-V188 HydrophobicContact CG2-CG1 4.38Å; V178-V188 HydrophobicContact CG2-CG2 4Å; F186-V188 HydrophobicContact CD2-CG2 4.22Å; F186-V188 HydrophobicContact CE2-CG2 4.13Å; V188-Q197 HydrophobicContact CB-CB 4.41Å; V188-Q197 HydrophobicContact CG1-CB 4.42Å; V188-Q197 PolarHBondContact O-N 2.68Å; V188-W198 HydrophobicContact CB-CB 3.94Å; V188-W198 HydrophobicContact CB-CG 4.27Å; V188-W198 HydrophobicContact CG2-CB 3.86Å; V188-W198 HydrophobicContact CG2-CG 4.24Å; V188-W198 PolarHBondContact N-O 3.22Å; V188-W198 PolarHBondContact O-N 3.21Å; V188-L233 HydrophobicContact CG2-CD2 4.02Å
189W95Very high94.2Very high13 Ų1340.1 Ų40.15%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-119.4120.4-175.7-54.390.2000109.7Q151 T152 F176 F177 S179 R187 K195 K196Q151-W189 WeakPolarHBondContact O-CH2 3.43Å; T152-W189 HydrophobicContact CG2-CH2 4.24Å; T152-W189 HydrophobicContact CG2-CZ2 3.52Å; F176-W189 CarbonylContact C-O 3.53Å; F176-W189 WeakPolarHBondContact CA-O 3.23Å; F176-W189 WeakPolarHBondContact CB-O 3.41Å; F177-W189 HydrophobicContact CD1-CB 4.03Å; F177-W189 HydrophobicContact CD2-CB 4.04Å; F177-W189 AromaticContact CD2-CD1 3.75Å; F177-W189 HydrophobicContact CD2-CG 4.16Å; F177-W189 HydrophobicContact CE1-CB 3.58Å; F177-W189 HydrophobicContact CE1-CG 4.43Å; F177-W189 HydrophobicContact CE2-CB 3.6Å; F177-W189 AromaticContact CE2-CD1 3.43Å; F177-W189 VanDerWaalsContact CE2-CD1 3.43Å; F177-W189 HydrophobicContact CE2-CD2 4.5Å; F177-W189 AromaticContact CE2-CG 3.57Å; F177-W189 HydrophobicContact CE2-CG 3.57Å; F177-W189 HydrophobicContact CG-CB 4.25Å; F177-W189 HydrophobicContact CZ-CB 3.35Å; F177-W189 AromaticContact CZ-CG 3.73Å; F177-W189 HydrophobicContact CZ-CG 3.73Å; F177-W189 PolarHBondContact N-O 2.97Å; F177-W189 PolarHBondContact O-N 3.13Å; S179-W189 PolarHBondContact OG-NE1 3.44Å; R187-W189 HydrophobicContact CB-CZ2 3.85Å; R187-W189 HydrophobicContact CG-CZ2 4.38Å; W189-K195 WeakPolarHBondContact CA-O 3.43Å; W189-K196 HydrophobicContact CE3-CB 3.91Å; W189-K196 HydrophobicContact CE3-CG 4.29Å; W189-K196 HydrophobicContact CH2-CB 4.26Å; W189-K196 HydrophobicContact CH2-CD 4.35Å; W189-K196 VanDerWaalsContact CH2-CE 3.49Å; W189-K196 HydrophobicContact CH2-CG 4.17Å; W189-K196 HydrophobicContact CZ2-CG 4.44Å; W189-K196 HydrophobicContact CZ3-CB 3.71Å; W189-K196 HydrophobicContact CZ3-CG 4.08Å
190A94.7Very high94.3Very high10 Ų1042.9 Ų42.98%0.08321%0.21CC..EExtended strand (participates in β ladder)trans-63.4140.3174.900000110.6S193 F194 K195 Q197A190-S193 WeakPolarHBondContact CB-OG 3.46Å; A190-F194 WeakPolarHBondContact O-CA 3.29Å; A190-F194 PolarHBondContact O-N 2.95Å; A190-K195 PolarHBondContact N-O 2.98Å; A190-Q197 HydrophobicContact CB-CG 3.95Å
191Y91.2Very high94.3Very high58 Ų5847.4 Ų47.423%0.22723%0.233CC..THydrogen-bonded Turntrans-117.7136.9170177.2-96000108.8L81 G174 A175 F194L81-Y191 HydrophobicContact CD1-CE2 4.11Å; L81-Y191 HydrophobicContact CD2-CD2 3.79Å; L81-Y191 HydrophobicContact CD2-CE1 4.31Å; L81-Y191 HydrophobicContact CD2-CE2 3.39Å; L81-Y191 HydrophobicContact CD2-CG 4.42Å; L81-Y191 HydrophobicContact CG-CE2 4.41Å; G174-Y191 VanDerWaalsContact O-CD1 3.31Å; G174-Y191 WeakPolarHBondContact O-CD1 3.16Å; A175-Y191 PolarHBondContact O-N 2.88Å; Y191-F194 AromaticContact CD2-CE1 3.8Å; Y191-F194 HydrophobicContact CD2-CE1 3.8Å; Y191-F194 AromaticContact CD2-CZ 3.85Å; Y191-F194 HydrophobicContact CD2-CZ 3.85Å; Y191-F194 HydrophobicContact CE2-CE1 4.26Å; Y191-F194 AromaticContact CE2-CZ 3.9Å; Y191-F194 HydrophobicContact CE2-CZ 3.9Å
192P89.5Confident94.4Very high95 Ų9547.8 Ų47.862%0.61724%0.237SC*.THydrogen-bonded Turncis-90.21.97.136.1-36.9000115.4F194P192-F194 VanDerWaalsContact C-N 3.29Å; P192-F194 WeakPolarHBondContact O-CD2 3.27Å; P192-F194 WeakPolarHBondContact O-CE2 3.33Å; P192-F194 PolarHBondContact O-N 2.96Å
193S91.9Very high94.5Very high58 Ų5847.8 Ų47.841%0.40624%0.236SC..THydrogen-bonded Turntrans-71.7-20.9-174.369.40000114.6A190 K195A190-S193 WeakPolarHBondContact CB-OG 3.46Å; S193-K195 PolarHBondContact O-N 2.87Å; S193-K195 PolarHBondContact OG-N 3.45Å
194F90.9Very high94.5Very high17 Ų1755.6 Ų55.68%0.07527%0.269CS..  trans55.326-173.5-53.8-76.1000114V97 I147 K148 L150 F177 A190 Y191 P192V97-F194 HydrophobicContact CB-CE1 4Å; V97-F194 HydrophobicContact CB-CZ 4.24Å; V97-F194 HydrophobicContact CG1-CE1 3.79Å; V97-F194 HydrophobicContact CG1-CZ 3.91Å; V97-F194 HydrophobicContact CG2-CD1 4.3Å; V97-F194 HydrophobicContact CG2-CE1 3.74Å; V97-F194 HydrophobicContact CG2-CZ 4.46Å; I147-F194 HydrophobicContact CG2-CE2 3.73Å; I147-F194 HydrophobicContact CG2-CZ 3.87Å; K148-F194 HydrophobicContact CB-CD2 4.21Å; K148-F194 HydrophobicContact CB-CE2 4.16Å; K148-F194 HydrophobicContact CB-CZ 4.47Å; K148-F194 HydrophobicContact CD-CB 3.59Å; K148-F194 HydrophobicContact CD-CD1 4.47Å; K148-F194 HydrophobicContact CD-CD2 3.39Å; K148-F194 HydrophobicContact CD-CE2 4.16Å; K148-F194 HydrophobicContact CD-CG 3.58Å; K148-F194 HydrophobicContact CG-CD2 4.44Å; L150-F194 HydrophobicContact CD1-CB 3.98Å; L150-F194 HydrophobicContact CD1-CD1 3.72Å; L150-F194 HydrophobicContact CD1-CG 4.16Å; L150-F194 HydrophobicContact CD2-CB 4.06Å; F177-F194 AromaticContact CE1-CD1 3.79Å; F177-F194 HydrophobicContact CE1-CD1 3.79Å; F177-F194 HydrophobicContact CE1-CE1 4.08Å; F177-F194 HydrophobicContact CZ-CD1 4.05Å; A190-F194 WeakPolarHBondContact O-CA 3.29Å; A190-F194 PolarHBondContact O-N 2.95Å; Y191-F194 AromaticContact CD2-CE1 3.8Å; Y191-F194 HydrophobicContact CD2-CE1 3.8Å; Y191-F194 AromaticContact CD2-CZ 3.85Å; Y191-F194 HydrophobicContact CD2-CZ 3.85Å; Y191-F194 HydrophobicContact CE2-CE1 4.26Å; Y191-F194 AromaticContact CE2-CZ 3.9Å; Y191-F194 HydrophobicContact CE2-CZ 3.9Å; P192-F194 VanDerWaalsContact C-N 3.29Å; P192-F194 WeakPolarHBondContact O-CD2 3.27Å; P192-F194 WeakPolarHBondContact O-CE2 3.33Å; P192-F194 PolarHBondContact O-N 2.96Å
195K93.6Very high94.3Very high150 Ų15057.9 Ų57.965%0.65228%0.281SS*.  trans-78.2135.8173.8-69.3-175.3178.4-177.50109.5W189 A190 S193 Q197W189-K195 WeakPolarHBondContact CA-O 3.43Å; A190-K195 PolarHBondContact N-O 2.98Å; S193-K195 PolarHBondContact O-N 2.87Å; S193-K195 PolarHBondContact OG-N 3.45Å; K195-Q197 PolarHBondContact O-N 2.96Å
196K94.3Very high94.1Very high85 Ų8556.1 Ų56.137%0.3727%0.273SS..EExtended strand (participates in β ladder)trans-67.3114.5171.9-164-171.8-59.6-178.40108.6W189 D199W189-K196 HydrophobicContact CE3-CB 3.91Å; W189-K196 HydrophobicContact CE3-CG 4.29Å; W189-K196 HydrophobicContact CH2-CB 4.26Å; W189-K196 HydrophobicContact CH2-CD 4.35Å; W189-K196 VanDerWaalsContact CH2-CE 3.49Å; W189-K196 HydrophobicContact CH2-CG 4.17Å; W189-K196 HydrophobicContact CZ2-CG 4.44Å; W189-K196 HydrophobicContact CZ3-CB 3.71Å; W189-K196 HydrophobicContact CZ3-CG 4.08Å; K196-D199 HydrophobicContact CD-CB 3.78Å; K196-D199 WeakPolarHBondContact CD-OD2 3.46Å; K196-D199 IonicContact NZ-OD2 3.22Å; K196-D199 PolarHBondContact NZ-OD2 2.84Å
197Q94.5Very high94.1Very high103 Ų10356.1 Ų56.148%0.48127%0.273SS..EExtended strand (participates in β ladder)trans-85.1-43.7175.1-71.7-178.6-2900110.8V188 A190 K195V188-Q197 HydrophobicContact CB-CB 4.41Å; V188-Q197 HydrophobicContact CG1-CB 4.42Å; V188-Q197 PolarHBondContact O-N 2.68Å; A190-Q197 HydrophobicContact CB-CG 3.95Å; K195-Q197 PolarHBondContact O-N 2.96Å
198W96.2Very high94.1Very high102 Ų10256.1 Ų56.139%0.38627%0.273SS..EExtended strand (participates in β ladder)trans-135.5143-176.5-59.3114.3000111.1R187 V188 C236R187-W198 VanDerWaalsContact CA-O 3.25Å; R187-W198 WeakPolarHBondContact CA-O 3.41Å; V188-W198 HydrophobicContact CB-CB 3.94Å; V188-W198 HydrophobicContact CB-CG 4.27Å; V188-W198 HydrophobicContact CG2-CB 3.86Å; V188-W198 HydrophobicContact CG2-CG 4.24Å; V188-W198 PolarHBondContact N-O 3.22Å; V188-W198 PolarHBondContact O-N 3.21Å; W198-C236 HydrophobicContact CD2-CB 4.21Å; W198-C236 HydrophobicContact CE3-CB 4.28Å
199D96.1Very high94.1Very high66 Ų6656.2 Ų56.235%0.35327%0.274SS..EExtended strand (participates in β ladder)trans-134.4100.9172.3-159.2-32000107.7H185 R187 K196H185-D199 IonicContact CE1-OD1 3.27Å; H185-D199 IonicContact CG-OD1 3.91Å; H185-D199 IonicContact ND1-OD1 2.78Å; H185-D199 PolarHBondContact ND1-OD1 2.99Å; R187-D199 HydrophobicContact CG-CB 4.47Å; R187-D199 IonicContact CZ-OD1 3.47Å; R187-D199 IonicContact CZ-OD2 2.75Å; R187-D199 IonicContact NE-OD1 2.93Å; R187-D199 PolarHBondContact NE-OD1 3.36Å; R187-D199 VanDerWaalsContact NE-OD1 3.1Å; R187-D199 IonicContact NE-OD2 3.04Å; R187-D199 PolarHBondContact NE-OD2 3.46Å; R187-D199 IonicContact NH2-OD1 3.35Å; R187-D199 PolarHBondContact NH2-OD1 3.06Å; R187-D199 VanDerWaalsContact NH2-OD1 3.13Å; R187-D199 IonicContact NH2-OD2 3.25Å; K196-D199 HydrophobicContact CD-CB 3.78Å; K196-D199 WeakPolarHBondContact CD-OD2 3.46Å; K196-D199 IonicContact NZ-OD2 3.22Å; K196-D199 PolarHBondContact NZ-OD2 2.84Å
200H96.5Very high94.2Very high58 Ų5855.6 Ų55.627%0.26927%0.272SS..EExtended strand (participates in β ladder)trans-122.7126.6-170.2-163.484.9000111.3H185 F186 A202 W231H185-H200 CarbonylContact C-O 3.57Å; H185-H200 WeakPolarHBondContact CA-O 3.42Å; H185-H200 WeakPolarHBondContact CB-O 3.24Å; F186-H200 HydrophobicContact CD1-CB 4.13Å; F186-H200 HydrophobicContact CD2-CB 4.45Å; F186-H200 HydrophobicContact CE1-CB 3.59Å; F186-H200 AromaticContact CE1-CD2 3.63Å; F186-H200 AromaticContact CE1-CG 3.82Å; F186-H200 HydrophobicContact CE2-CB 3.94Å; F186-H200 HydrophobicContact CZ-CB 3.48Å; F186-H200 VanDerWaalsContact CZ-CB 3.48Å; F186-H200 AromaticContact CZ-CG 3.85Å; F186-H200 PolarHBondContact N-O 2.81Å; F186-H200 PolarHBondContact O-N 2.77Å; H200-A202 PolarHBondContact O-N 2.93Å; H200-W231 AromaticContact CD2-CH2 3.58Å; H200-W231 AromaticContact CD2-CZ3 3.48Å; H200-W231 VanDerWaalsContact CD2-CZ3 3.48Å; H200-W231 WeakPolarHBondContact CD2-CZ3 3.44Å; H200-W231 AromaticContact CE1-CZ3 3.92Å; H200-W231 AromaticContact NE2-CH2 3.35Å; H200-W231 WeakPolarHBondContact NE2-CH2 3.47Å; H200-W231 AromaticContact NE2-CZ3 3.07Å; H200-W231 WeakPolarHBondContact NE2-CZ3 3.44Å
201N95.7Very high94.4Very high96 Ų9656 Ų5651%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-77.687.2175-171.9-3.9000110H203N201-H203 PolarHBondContact OD1-O 2.9Å; N201-H203 VanDerWaalsContact OD1-O 3.09Å
202A95.1Very high94.7Very high8 Ų853.4 Ų53.47%0.06626%0.262CS..  trans-80.4-33.7-17600000113.6G184 F186 H200 Y229 W231G184-A202 PolarHBondContact O-N 3.06Å; F186-A202 HydrophobicContact CD1-CB 3.53Å; F186-A202 HydrophobicContact CE1-CB 3.9Å; H200-A202 PolarHBondContact O-N 2.93Å; A202-Y229 VanDerWaalsContact O-CE2 3.29Å; A202-Y229 WeakPolarHBondContact O-CE2 3.43Å; A202-W231 HydrophobicContact CB-CH2 4.17Å; A202-W231 HydrophobicContact CB-CZ2 3.49Å; A202-W231 VanDerWaalsContact CB-CZ2 3.49Å
203H94.7Very high95Very high4 Ų448.9 Ų48.92%0.01923%0.233CC..  trans-137.1146.5-172.8-68.3-75.1000111G184 N201 D205 T221 G223 F227 Y229G184-H203 WeakPolarHBondContact CA-O 3.23Å; G184-H203 PolarHBondContact O-N 2.96Å; N201-H203 PolarHBondContact OD1-O 2.9Å; N201-H203 VanDerWaalsContact OD1-O 3.09Å; H203-D205 WeakPolarHBondContact CB-O 3.41Å; H203-D205 PolarHBondContact O-N 3.18Å; H203-T221 PolarHBondContact NE2-O 2.91Å; H203-T221 PolarHBondContact NE2-OG1 3.37Å; H203-G223 PolarHBondContact CE1-N 2.94Å; H203-G223 WeakPolarHBondContact ND1-CA 3.28Å; H203-G223 PolarHBondContact NE2-N 2.91Å; H203-F227 PolarHBondContact CE1-O 3.07Å; H203-F227 VanDerWaalsContact CE1-O 3.22Å; H203-Y229 AromaticContact CE1-CD2 3.19Å; H203-Y229 WeakPolarHBondContact CE1-CD2 3.12Å; H203-Y229 AromaticContact CE1-CE2 3.36Å; H203-Y229 WeakPolarHBondContact CE1-CE2 3.21Å; H203-Y229 AromaticContact ND1-CD2 3.79Å; H203-Y229 AromaticContact ND1-CE2 3.51Å; H203-Y229 AromaticContact NE2-CD2 3.68Å
204K92.5Very high95Very high194 Ų19449.8 Ų49.884%0.84323%0.227SC*.SBendtrans-70.7-12.6174.5-64.2-175.7178.6-179.60113.5
205D90.8Very high95.1Very high47 Ų4750.6 Ų50.625%0.25123%0.233SC..SBendtrans-138.3178.9-174.9-162.9-4.4000107.3G184 H203 R224 N225G184-D205 VanDerWaalsContact CA-O 3.23Å; G184-D205 WeakPolarHBondContact CA-O 3.34Å; H203-D205 WeakPolarHBondContact CB-O 3.41Å; H203-D205 PolarHBondContact O-N 3.18Å; D205-R224 HydrophobicContact CB-CB 4.27Å; D205-R224 WeakPolarHBondContact OD2-CG 3.46Å; D205-N225 HydrophobicContact CB-CB 4.23Å
206D93.9Very high95.2Very high6 Ų643.9 Ų43.93%0.03220%0.204CC..  trans-53.8142.5-171.1-45.8-18.8000113.9K166 G181 S182 D208 R224K166-D206 HydrophobicContact CD-CB 4.18Å; K166-D206 WeakPolarHBondContact CE-OD2 3.49Å; K166-D206 IonicContact NZ-OD2 3.62Å; K166-D206 PolarHBondContact NZ-OD2 3.35Å; G181-D206 WeakPolarHBondContact O-CA 3.23Å; S182-D206 WeakPolarHBondContact CA-OD1 3.18Å; D206-D208 PolarHBondContact O-N 2.92Å; D206-R224 HydrophobicContact CB-CB 4.17Å; D206-R224 PolarHBondContact O-N 3.29Å; D206-R224 IonicContact OD2-CZ 3.45Å; D206-R224 IonicContact OD2-NE 3.83Å; D206-R224 PolarHBondContact OD2-NE 2.82Å; D206-R224 IonicContact OD2-NH1 2.7Å; D206-R224 PolarHBondContact OD2-NH1 2.82Å; D206-R224 IonicContact OD2-NH2 2.79Å
207V96.7Very high95.2Very high0 Ų042.6 Ų42.60%020%0.201CC..EExtended strand (participates in β ladder)trans-79.297.9164.3-174.70000108.2K166 V167 G181 G184 H185 L210K166-V207 WeakPolarHBondContact CD-O 3.47Å; V167-V207 HydrophobicContact CG1-CG1 4.35Å; G181-V207 PolarHBondContact O-N 2.84Å; G184-V207 WeakPolarHBondContact O-CG2 3.34Å; H185-V207 WeakPolarHBondContact O-CG2 3.3Å; V207-L210 HydrophobicContact CG1-CD2 4.36Å
208D94.9Very high95.3Very high6 Ų637.9 Ų37.93%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-77.9-25.5-174.9-93.7-18.8000112.7K166 D206 V222 R224 R257 R259K166-D208 IonicContact NZ-OD1 2.77Å; K166-D208 PolarHBondContact NZ-OD1 2.82Å; D206-D208 PolarHBondContact O-N 2.92Å; D208-V222 PolarHBondContact N-O 2.87Å; D208-R224 IonicContact OD1-CZ 3.65Å; D208-R224 IonicContact OD1-NE 2.93Å; D208-R224 PolarHBondContact OD1-NE 3.42Å; D208-R224 IonicContact OD1-NH2 3.59Å; D208-R224 PolarHBondContact OD1-NH2 3.07Å; D208-R224 WeakPolarHBondContact OD2-CA 3.45Å; D208-R224 IonicContact OD2-NE 3.78Å; D208-R224 PolarHBondContact OD2-NE 3.11Å; D208-R224 IonicContact OD2-NH2 2.79Å; D208-R257 IonicContact OD2-CZ 3.27Å; D208-R257 IonicContact OD2-NH1 3.31Å; D208-R257 PolarHBondContact OD2-NH1 2.81Å; D208-R257 IonicContact OD2-NH2 3.57Å; D208-R259 PolarHBondContact O-NH1 2.86Å
209D96.8Very high95.4Very high5 Ų533 Ų333%0.02716%0.161CC..EExtended strand (participates in β ladder)trans-160.1157.7175.8-162.126.3000111.4R169 V222 F260 A261 R262R169-D209 IonicContact NH2-OD1 3.19Å; R169-D209 PolarHBondContact NH2-OD1 2.99Å; D209-V222 HydrophobicContact CB-CB 4.1Å; D209-V222 HydrophobicContact CB-CG2 4.25Å; D209-V222 PolarHBondContact N-O 2.99Å; D209-V222 PolarHBondContact O-N 2.9Å; D209-F260 WeakPolarHBondContact OD2-CA 3.41Å; D209-A261 PolarHBondContact OD2-N 3.02Å; D209-A261 VanDerWaalsContact OD2-N 3.08Å; D209-R262 IonicContact OD1-CZ 3.59Å; D209-R262 IonicContact OD1-NH1 3.13Å; D209-R262 PolarHBondContact OD1-NH1 3.05Å; D209-R262 IonicContact OD1-NH2 3.55Å; D209-R262 PolarHBondContact OD1-NH2 3.44Å; D209-R262 IonicContact OD2-CZ 3.34Å; D209-R262 IonicContact OD2-NH1 2.84Å; D209-R262 PolarHBondContact OD2-NH1 2.95Å; D209-R262 IonicContact OD2-NH2 3.06Å; D209-R262 PolarHBondContact OD2-NH2 2.96Å
210L97.8Very high95.5Very high0 Ų029.9 Ų29.90%014%0.144CC..EExtended strand (participates in β ladder)trans-153.6159.7172.464.583.4000111.3V167 R169 V178 V207 L219 V220 T221V167-L210 HydrophobicContact CB-CG 4.3Å; V167-L210 HydrophobicContact CG1-CB 4.35Å; V167-L210 HydrophobicContact CG1-CD2 3.62Å; V167-L210 HydrophobicContact CG1-CG 3.59Å; V167-L210 HydrophobicContact CG2-CD1 4.29Å; V167-L210 HydrophobicContact CG2-CG 3.8Å; R169-L210 HydrophobicContact CB-CD1 3.81Å; R169-L210 HydrophobicContact CG-CD1 3.63Å; R169-L210 WeakPolarHBondContact CG-O 3.48Å; V178-L210 HydrophobicContact CB-CD1 4.17Å; V178-L210 HydrophobicContact CG1-CD1 4.23Å; V178-L210 HydrophobicContact CG1-CD2 3.94Å; V207-L210 HydrophobicContact CG1-CD2 4.36Å; L210-L219 HydrophobicContact CB-CD1 4.29Å; L210-L219 HydrophobicContact CD1-CD1 4.17Å; L210-V220 WeakPolarHBondContact CA-O 3.36Å; L210-V220 VanDerWaalsContact CB-O 3.25Å; L210-V220 WeakPolarHBondContact CB-O 3.26Å; L210-T221 HydrophobicContact CB-CG2 4.32Å
211D98.1Very high95.5Very high19 Ų1927.1 Ų27.110%0.10213%0.131CC..EExtended strand (participates in β ladder)trans-154.8155.1173.2-157.130.7000112.9R169 L219 V220 A261 R262 F263R169-D211 IonicContact NE-OD1 2.7Å; D211-L219 WeakPolarHBondContact O-CA 3.36Å; D211-L219 WeakPolarHBondContact O-CD1 3.4Å; D211-V220 HydrophobicContact CB-CG1 3.75Å; D211-V220 PolarHBondContact N-O 3.4Å; D211-V220 VanDerWaalsContact N-O 3.09Å; D211-V220 WeakPolarHBondContact O-CG1 3.29Å; D211-V220 PolarHBondContact O-N 2.89Å; D211-A261 WeakPolarHBondContact CB-O 3.41Å; D211-R262 WeakPolarHBondContact OD2-CA 3.2Å; D211-F263 HydrophobicContact CB-CD2 4.23Å; D211-F263 WeakPolarHBondContact O-CE2 3.16Å; D211-F263 PolarHBondContact OD2-N 2.98Å
212I97.9Very high95.6Very high2 Ų222.5 Ų22.51%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-112.2137.7-174.8-57166000109.1R169 A171 F176 V178 L219 L233 F263R169-I212 HydrophobicContact CB-CD1 4.03Å; R169-I212 HydrophobicContact CB-CG1 4.33Å; R169-I212 WeakPolarHBondContact O-CD1 3.32Å; A171-I212 HydrophobicContact CB-CD1 4.04Å; A171-I212 HydrophobicContact CB-CG2 4.4Å; F176-I212 HydrophobicContact CE2-CD1 4.27Å; V178-I212 HydrophobicContact CB-CD1 4.09Å; V178-I212 HydrophobicContact CG2-CD1 3.64Å; V178-I212 HydrophobicContact CG2-CG1 4.16Å; I212-L219 HydrophobicContact CG1-CD1 3.97Å; I212-L233 HydrophobicContact CG2-CD1 4.07Å; I212-F263 VanDerWaalsContact C-CD2 3.41Å
213S95.7Very high95.6Very high0 Ų022.1 Ų22.10%010%0.104CC..  trans-67.8163.1177.758.80000112.4D215 S216 D217 L218S213-D215 VanDerWaalsContact C-N 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.35Å; S213-D215 PolarHBondContact O-N 3.29Å; S213-D215 PolarHBondContact OG-OD1 3.23Å; S213-S216 PolarHBondContact O-N 3.1Å; S213-D217 PolarHBondContact OG-N 2.9Å; S213-L218 PolarHBondContact N-O 3.43Å; S213-L218 WeakPolarHBondContact OG-CA 3.45Å; S213-L218 WeakPolarHBondContact OG-CB 3.39Å; S213-L218 PolarHBondContact OG-N 3.21Å; S213-L218 PolarHBondContact OG-O 2.74Å
214R93Very high95.4Very high77 Ų7726.9 Ų26.929%0.29112%0.122SC..THydrogen-bonded Turntrans-57.1-39.9-174.8179.8-179.3-89.6173.7-25.9113.7F265 P266R214-F265 VanDerWaalsContact CA-CE1 3.42Å; R214-F265 HydrophobicContact CB-CD1 3.56Å; R214-F265 HydrophobicContact CB-CE1 3.55Å; R214-F265 HydrophobicContact CB-CG 4.2Å; R214-F265 HydrophobicContact CB-CZ 4.12Å; R214-F265 HydrophobicContact CG-CD1 4.2Å; R214-F265 HydrophobicContact CG-CE1 4.4Å; R214-F265 HydrophobicContact CG-CG 4.34Å; R214-F265 VanDerWaalsContact CZ-CB 3.5Å; R214-F265 VanDerWaalsContact N-CE1 3.34Å; R214-F265 PolarHBondContact NH2-O 3.33Å; R214-P266 PolarHBondContact NH1-O 2.79Å; R214-P266 PolarHBondContact NH2-O 3.5Å
215D92.9Very high95Very high35 Ų3520.5 Ų20.519%0.18710%0.097CC..THydrogen-bonded Turntrans-80.8-3.9179.547.723.2000113.3S213 D217 Q274 K301S213-D215 VanDerWaalsContact C-N 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.35Å; S213-D215 PolarHBondContact O-N 3.29Å; S213-D215 PolarHBondContact OG-OD1 3.23Å; D215-D217 PolarHBondContact O-N 2.85Å; D215-D217 PolarHBondContact OD1-N 3.23Å; D215-Q274 PolarHBondContact OD2-NE2 3.32Å; D215-K301 WeakPolarHBondContact OD2-CE 3.02Å; D215-K301 IonicContact OD2-NZ 3.69Å; D215-K301 PolarHBondContact OD2-NZ 3.27Å
216S95.5Very high94.8Very high8 Ų819.3 Ų19.36%0.05610%0.095CC..SBendtrans62.320.8-174.2-52.20000114.7P172 C173 S213 L233P172-S216 WeakPolarHBondContact CD-OG 3.39Å; C173-S216 WeakPolarHBondContact CB-OG 3.37Å; C173-S216 PolarHBondContact N-OG 3.35Å; C173-S216 PolarHBondContact SG-OG 2.88Å; S213-S216 PolarHBondContact O-N 3.1Å; S216-L233 WeakPolarHBondContact O-CD1 3.37Å
217D94.6Very high94.7Very high58 Ų5823.1 Ų23.131%0.3111%0.112SC..  trans-94.4-26.2-179.6-70.2-32000113.3S213 D215 L233S213-D217 PolarHBondContact OG-N 2.9Å; D215-D217 PolarHBondContact O-N 2.85Å; D215-D217 PolarHBondContact OD1-N 3.23Å; D217-L233 PolarHBondContact O-N 2.96Å
218L96.2Very high94.6Very high4 Ų423.1 Ų23.12%0.02111%0.112CC..EExtended strand (participates in β ladder)trans-118.3147.1-177.8-56.9-179.8000111.8S213 I230 W231 R232 M239 F263 Q274 I299 K301S213-L218 PolarHBondContact N-O 3.43Å; S213-L218 WeakPolarHBondContact OG-CA 3.45Å; S213-L218 WeakPolarHBondContact OG-CB 3.39Å; S213-L218 PolarHBondContact OG-N 3.21Å; S213-L218 PolarHBondContact OG-O 2.74Å; L218-I230 HydrophobicContact CB-CG2 4.41Å; L218-I230 HydrophobicContact CD1-CG2 4.38Å; L218-I230 HydrophobicContact CD2-CG2 4.46Å; L218-W231 VanDerWaalsContact CA-O 3.26Å; L218-W231 WeakPolarHBondContact CA-O 3.42Å; L218-R232 HydrophobicContact CD2-CG 3.99Å; L218-M239 HydrophobicContact CD1-CE 4.21Å; L218-M239 HydrophobicContact CD2-CE 4.26Å; L218-M239 HydrophobicContact CD2-SD 3.74Å; L218-F263 HydrophobicContact CB-CZ 4.03Å; L218-Q274 HydrophobicContact CD1-CB 4.46Å; L218-Q274 HydrophobicContact CD1-CG 4.04Å; L218-I299 HydrophobicContact CD1-CG2 4.09Å; L218-K301 HydrophobicContact CD1-CG 4.3Å
219L98Very high94.7Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-125.3134.6172.1173.276.1000108.8V178 F186 L210 D211 I212 T221 I230 W231 L233V178-L219 HydrophobicContact CB-CD1 4.27Å; V178-L219 HydrophobicContact CG1-CD1 3.9Å; V178-L219 HydrophobicContact CG1-CD2 4.04Å; V178-L219 HydrophobicContact CG2-CD1 4.34Å; F186-L219 HydrophobicContact CB-CD2 4.38Å; F186-L219 HydrophobicContact CD1-CD2 4Å; F186-L219 HydrophobicContact CD2-CD2 3.47Å; F186-L219 VanDerWaalsContact CD2-CD2 3.47Å; F186-L219 HydrophobicContact CE1-CD2 4.11Å; F186-L219 HydrophobicContact CE2-CD2 3.61Å; F186-L219 HydrophobicContact CG-CD2 3.69Å; F186-L219 HydrophobicContact CZ-CD2 3.93Å; L210-L219 HydrophobicContact CB-CD1 4.29Å; L210-L219 HydrophobicContact CD1-CD1 4.17Å; D211-L219 WeakPolarHBondContact O-CA 3.36Å; D211-L219 WeakPolarHBondContact O-CD1 3.4Å; I212-L219 HydrophobicContact CG1-CD1 3.97Å; L219-T221 HydrophobicContact CD2-CG2 3.76Å; L219-T221 HydrophobicContact CG-CG2 3.95Å; L219-I230 CarbonylContact O-C 3.55Å; L219-I230 WeakPolarHBondContact O-CA 3.45Å; L219-W231 HydrophobicContact CB-CB 4.25Å; L219-W231 PolarHBondContact N-O 3.36Å; L219-W231 PolarHBondContact O-N 3.41Å; L219-L233 HydrophobicContact CB-CD1 4.11Å; L219-L233 HydrophobicContact CB-CD2 3.86Å; L219-L233 HydrophobicContact CB-CG 3.95Å; L219-L233 HydrophobicContact CD2-CD2 4.22Å
220V97.8Very high94.7Very high0 Ų024 Ų240%012%0.115CC..EExtended strand (participates in β ladder)trans-101.3135.2164.761.50000109.2L210 D211 T228 Y229 I230 A261 F263 L276L210-V220 WeakPolarHBondContact CA-O 3.36Å; L210-V220 VanDerWaalsContact CB-O 3.25Å; L210-V220 WeakPolarHBondContact CB-O 3.26Å; D211-V220 HydrophobicContact CB-CG1 3.75Å; D211-V220 PolarHBondContact N-O 3.4Å; D211-V220 VanDerWaalsContact N-O 3.09Å; D211-V220 WeakPolarHBondContact O-CG1 3.29Å; D211-V220 PolarHBondContact O-N 2.89Å; V220-T228 HydrophobicContact CG2-CG2 3.67Å; V220-Y229 WeakPolarHBondContact CA-O 3.38Å; V220-I230 HydrophobicContact CB-CD1 3.61Å; V220-I230 HydrophobicContact CG2-CD1 3.59Å; V220-A261 HydrophobicContact CB-CB 4.48Å; V220-A261 HydrophobicContact CG1-CB 3.82Å; V220-A261 HydrophobicContact CG2-CB 3.77Å; V220-F263 HydrophobicContact CB-CE2 3.98Å; V220-F263 HydrophobicContact CB-CZ 4.35Å; V220-F263 HydrophobicContact CG1-CD2 4.15Å; V220-F263 HydrophobicContact CG1-CE2 3.73Å; V220-F263 HydrophobicContact CG1-CZ 4.5Å; V220-L276 HydrophobicContact CB-CD1 4.36Å; V220-L276 HydrophobicContact CG1-CD1 3.88Å; V220-L276 HydrophobicContact CG2-CD2 4.21Å
221T98Very high94.7Very high0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-124.4134.9170.865.40000110.7F186 H203 L210 L219 T228 Y229 W231F186-T221 HydrophobicContact CB-CG2 4.3Å; F186-T221 HydrophobicContact CD1-CG2 3.88Å; F186-T221 HydrophobicContact CG-CG2 4.28Å; H203-T221 PolarHBondContact NE2-O 2.91Å; H203-T221 PolarHBondContact NE2-OG1 3.37Å; L210-T221 HydrophobicContact CB-CG2 4.32Å; L219-T221 HydrophobicContact CD2-CG2 3.76Å; L219-T221 HydrophobicContact CG-CG2 3.95Å; T221-T228 CarbonylContact O-C 3.6Å; T221-T228 VanDerWaalsContact O-CA 3.3Å; T221-T228 WeakPolarHBondContact O-CA 3.44Å; T221-T228 WeakPolarHBondContact O-CG2 3.26Å; T221-Y229 PolarHBondContact N-O 2.99Å; T221-Y229 PolarHBondContact O-N 3.22Å; T221-W231 PolarHBondContact OG1-NE1 3.37Å
222V96.4Very high94.5Very high0 Ų027.3 Ų27.30%013%0.126CC..EExtended strand (participates in β ladder)trans-110.7113.5179.9-178.60000108.8D208 D209 T228 I258 A261D208-V222 PolarHBondContact N-O 2.87Å; D209-V222 HydrophobicContact CB-CB 4.1Å; D209-V222 HydrophobicContact CB-CG2 4.25Å; D209-V222 PolarHBondContact N-O 2.99Å; D209-V222 PolarHBondContact O-N 2.9Å; V222-T228 HydrophobicContact CG2-CG2 4.02Å; V222-I258 HydrophobicContact CG1-CB 4.34Å; V222-I258 HydrophobicContact CG1-CG2 3.99Å; V222-I258 WeakPolarHBondContact CG1-O 3.32Å; V222-I258 HydrophobicContact CG2-CG2 3.95Å; V222-A261 HydrophobicContact CG2-CB 3.73Å
223G94.7Very high94.4Very high0 Ų027.8 Ų27.80%013%0.128CC..EExtended strand (participates in β ladder)trans-85.9146.3178.400000112.2H203 N225 G226 F227H203-G223 PolarHBondContact CE1-N 2.94Å; H203-G223 WeakPolarHBondContact ND1-CA 3.28Å; H203-G223 PolarHBondContact NE2-N 2.91Å; G223-N225 PolarHBondContact O-N 3.08Å; G223-G226 PolarHBondContact O-N 2.91Å; G223-G226 VanDerWaalsContact O-N 3.15Å; G223-F227 PolarHBondContact N-O 2.94Å
224R90.5Very high94.3Very high104 Ų10433.7 Ų33.739%0.39216%0.159SC..THydrogen-bonded Turntrans-59.3-34.8175.4175.5161.2-73.1-161.2-7113.1D205 D206 D208 G226 R257D205-R224 HydrophobicContact CB-CB 4.27Å; D205-R224 WeakPolarHBondContact OD2-CG 3.46Å; D206-R224 HydrophobicContact CB-CB 4.17Å; D206-R224 PolarHBondContact O-N 3.29Å; D206-R224 IonicContact OD2-CZ 3.45Å; D206-R224 IonicContact OD2-NE 3.83Å; D206-R224 PolarHBondContact OD2-NE 2.82Å; D206-R224 IonicContact OD2-NH1 2.7Å; D206-R224 PolarHBondContact OD2-NH1 2.82Å; D206-R224 IonicContact OD2-NH2 2.79Å; D208-R224 IonicContact OD1-CZ 3.65Å; D208-R224 IonicContact OD1-NE 2.93Å; D208-R224 PolarHBondContact OD1-NE 3.42Å; D208-R224 IonicContact OD1-NH2 3.59Å; D208-R224 PolarHBondContact OD1-NH2 3.07Å; D208-R224 WeakPolarHBondContact OD2-CA 3.45Å; D208-R224 IonicContact OD2-NE 3.78Å; D208-R224 PolarHBondContact OD2-NE 3.11Å; D208-R224 IonicContact OD2-NH2 2.79Å; R224-G226 PolarHBondContact O-N 3.47Å; R224-G226 VanDerWaalsContact O-N 3.15Å; R224-R257 PolarHBondContact O-NH1 3.45Å; R224-R257 VanDerWaalsContact O-NH1 3.09Å
225N84.4Confident94.2Very high60 Ų6034.2 Ų34.232%0.32117%0.168SC..THydrogen-bonded Turntrans-67-2.6177.561.82.6000114.9D205 G223 F227D205-N225 HydrophobicContact CB-CB 4.23Å; G223-N225 PolarHBondContact O-N 3.08Å; N225-F227 HydrophobicContact CB-CD2 4.32Å; N225-F227 PolarHBondContact OD1-N 2.63Å
226G86.3Confident94.2Very high21 Ų2132.9 Ų32.922%0.21616%0.161CC..SBendtrans98.6-8.7175.600000114.7G223 R224G223-G226 PolarHBondContact O-N 2.91Å; G223-G226 VanDerWaalsContact O-N 3.15Å; R224-G226 PolarHBondContact O-N 3.47Å; R224-G226 VanDerWaalsContact O-N 3.15Å
227F92.2Very high94.1Very high86 Ų8634.3 Ų34.338%0.37717%0.171SC..  trans-80.7140.7175.9-66.3-77.8000111H203 G223 N225 Y229 E241H203-F227 PolarHBondContact CE1-O 3.07Å; H203-F227 VanDerWaalsContact CE1-O 3.22Å; G223-F227 PolarHBondContact N-O 2.94Å; N225-F227 HydrophobicContact CB-CD2 4.32Å; N225-F227 PolarHBondContact OD1-N 2.63Å; F227-Y229 HydrophobicContact CB-CE1 4.29Å; F227-Y229 HydrophobicContact CB-CE2 3.93Å; F227-E241 WeakPolarHBondContact CD1-OE1 3.36Å; F227-E241 WeakPolarHBondContact CE1-OE1 3.41Å
228T95.3Very high94.2Very high0 Ų036.9 Ų36.90%018%0.18CC..EExtended strand (participates in β ladder)trans-129.7125.8173.1-62.70000108.5V220 T221 V222 E241 L242 I258V220-T228 HydrophobicContact CG2-CG2 3.67Å; T221-T228 CarbonylContact O-C 3.6Å; T221-T228 VanDerWaalsContact O-CA 3.3Å; T221-T228 WeakPolarHBondContact O-CA 3.44Å; T221-T228 WeakPolarHBondContact O-CG2 3.26Å; V222-T228 HydrophobicContact CG2-CG2 4.02Å; T228-E241 WeakPolarHBondContact O-CA 3.32Å; T228-L242 HydrophobicContact CG2-CB 4.11Å; T228-L242 HydrophobicContact CG2-CD1 3.88Å; T228-L242 HydrophobicContact CG2-CG 4.32Å; T228-L242 PolarHBondContact O-N 2.94Å; T228-I258 HydrophobicContact CG2-CD1 4.35Å
229Y96Very high94.1Very high31 Ų3137.6 Ų37.612%0.12218%0.183CC..EExtended strand (participates in β ladder)trans-118.4145.8-174.8-60.5-56000111A202 H203 V220 T221 F227 W231 K238 A240 E241A202-Y229 VanDerWaalsContact O-CE2 3.29Å; A202-Y229 WeakPolarHBondContact O-CE2 3.43Å; H203-Y229 AromaticContact CE1-CD2 3.19Å; H203-Y229 WeakPolarHBondContact CE1-CD2 3.12Å; H203-Y229 AromaticContact CE1-CE2 3.36Å; H203-Y229 WeakPolarHBondContact CE1-CE2 3.21Å; H203-Y229 AromaticContact ND1-CD2 3.79Å; H203-Y229 AromaticContact ND1-CE2 3.51Å; H203-Y229 AromaticContact NE2-CD2 3.68Å; V220-Y229 WeakPolarHBondContact CA-O 3.38Å; T221-Y229 PolarHBondContact N-O 2.99Å; T221-Y229 PolarHBondContact O-N 3.22Å; F227-Y229 HydrophobicContact CB-CE1 4.29Å; F227-Y229 HydrophobicContact CB-CE2 3.93Å; Y229-W231 AromaticContact CD2-CZ2 3.78Å; Y229-W231 HydrophobicContact CD2-CZ2 3.78Å; Y229-W231 AromaticContact CG-CZ2 3.99Å; Y229-W231 HydrophobicContact CG-CZ2 3.99Å; Y229-K238 HydrophobicContact CD1-CD 3.68Å; Y229-K238 HydrophobicContact CD1-CG 4.43Å; Y229-K238 HydrophobicContact CE1-CD 4.02Å; Y229-K238 HydrophobicContact CG-CD 4.1Å; Y229-A240 WeakPolarHBondContact CA-O 3.45Å; Y229-E241 HydrophobicContact CD1-CB 3.91Å; Y229-E241 HydrophobicContact CD1-CG 3.88Å; Y229-E241 HydrophobicContact CE1-CB 4.02Å; Y229-E241 HydrophobicContact CE1-CG 3.65Å; Y229-E241 WeakPolarHBondContact CE1-OE2 3.32Å
230I97.2Very high93.8Very high0 Ų038.3 Ų38.30%019%0.189CC..EExtended strand (participates in β ladder)trans-105.8133.6167.4-50.2-62.6000108.3L218 L219 V220 M239 A240 L242 L276 I299L218-I230 HydrophobicContact CB-CG2 4.41Å; L218-I230 HydrophobicContact CD1-CG2 4.38Å; L218-I230 HydrophobicContact CD2-CG2 4.46Å; L219-I230 CarbonylContact O-C 3.55Å; L219-I230 WeakPolarHBondContact O-CA 3.45Å; V220-I230 HydrophobicContact CB-CD1 3.61Å; V220-I230 HydrophobicContact CG2-CD1 3.59Å; I230-M239 HydrophobicContact CB-CE 3.94Å; I230-M239 HydrophobicContact CG2-CE 3.34Å; I230-M239 HydrophobicContact CG2-SD 4.45Å; I230-M239 WeakPolarHBondContact O-CA 3.34Å; I230-M239 WeakPolarHBondContact O-CB 3.48Å; I230-M239 PolarHBondContact O-N 3.43Å; I230-A240 HydrophobicContact CB-CB 4.38Å; I230-A240 PolarHBondContact N-O 3.47Å; I230-A240 PolarHBondContact O-N 3.43Å; I230-L242 HydrophobicContact CD1-CD1 4.02Å; I230-L242 HydrophobicContact CD1-CG 4.36Å; I230-L242 HydrophobicContact CG1-CD1 4.4Å; I230-L242 HydrophobicContact CG1-CG 4.21Å; I230-L276 HydrophobicContact CD1-CD2 4.25Å; I230-I299 HydrophobicContact CD1-CD1 3.9Å; I230-I299 HydrophobicContact CG1-CD1 4.23Å
231W97.2Very high93.6Very high10 Ų1041.2 Ų41.24%0.03820%0.203CC..EExtended strand (participates in β ladder)trans-122147.7-176.4-51.285.2000110.2F186 H200 A202 L218 L219 T221 Y229 S237 K238F186-W231 AromaticContact CE1-CD2 3.76Å; F186-W231 HydrophobicContact CE1-CD2 3.76Å; F186-W231 AromaticContact CE1-CE2 3.81Å; F186-W231 HydrophobicContact CE1-CE3 4.15Å; F186-W231 HydrophobicContact CE1-CG 4.05Å; F186-W231 HydrophobicContact CE1-CZ2 4.27Å; F186-W231 HydrophobicContact CZ-CD2 4.18Å; F186-W231 HydrophobicContact CZ-CE3 4.39Å; F186-W231 HydrophobicContact CZ-CG 4.25Å; H200-W231 AromaticContact CD2-CH2 3.58Å; H200-W231 AromaticContact CD2-CZ3 3.48Å; H200-W231 VanDerWaalsContact CD2-CZ3 3.48Å; H200-W231 WeakPolarHBondContact CD2-CZ3 3.44Å; H200-W231 AromaticContact CE1-CZ3 3.92Å; H200-W231 AromaticContact NE2-CH2 3.35Å; H200-W231 WeakPolarHBondContact NE2-CH2 3.47Å; H200-W231 AromaticContact NE2-CZ3 3.07Å; H200-W231 WeakPolarHBondContact NE2-CZ3 3.44Å; A202-W231 HydrophobicContact CB-CH2 4.17Å; A202-W231 HydrophobicContact CB-CZ2 3.49Å; A202-W231 VanDerWaalsContact CB-CZ2 3.49Å; L218-W231 VanDerWaalsContact CA-O 3.26Å; L218-W231 WeakPolarHBondContact CA-O 3.42Å; L219-W231 HydrophobicContact CB-CB 4.25Å; L219-W231 PolarHBondContact N-O 3.36Å; L219-W231 PolarHBondContact O-N 3.41Å; T221-W231 PolarHBondContact OG1-NE1 3.37Å; Y229-W231 AromaticContact CD2-CZ2 3.78Å; Y229-W231 HydrophobicContact CD2-CZ2 3.78Å; Y229-W231 AromaticContact CG-CZ2 3.99Å; Y229-W231 HydrophobicContact CG-CZ2 3.99Å; W231-S237 WeakPolarHBondContact CA-O 3.04Å; W231-K238 HydrophobicContact CE3-CB 3.85Å; W231-K238 HydrophobicContact CE3-CG 4.4Å; W231-K238 HydrophobicContact CH2-CB 4.11Å; W231-K238 HydrophobicContact CH2-CD 4.34Å; W231-K238 HydrophobicContact CH2-CG 4.27Å; W231-K238 HydrophobicContact CZ3-CB 3.56Å; W231-K238 HydrophobicContact CZ3-CG 4.15Å
232R95.7Very high93.2Very high78 Ų7841.3 Ų41.329%0.29420%0.203SC..EExtended strand (participates in β ladder)trans-89.6126.5164.9-72.4178.2-177.4131.80.6108.9L218 N234 D235 C236 S237 M239 K301 S304L218-R232 HydrophobicContact CD2-CG 3.99Å; R232-N234 VanDerWaalsContact C-N 3.35Å; R232-D235 WeakPolarHBondContact CB-OD1 3.44Å; R232-C236 CarbonylContact O-C 3.57Å; R232-C236 WeakPolarHBondContact O-CA 3.5Å; R232-C236 PolarHBondContact O-N 3.04Å; R232-S237 PolarHBondContact N-O 3.37Å; R232-S237 PolarHBondContact O-N 2.72Å; R232-M239 HydrophobicContact CG-CB 4.31Å; R232-M239 HydrophobicContact CG-SD 4.3Å; R232-K301 PolarHBondContact NH2-O 2.79Å; R232-K301 VanDerWaalsContact NH2-O 3.13Å; R232-S304 PolarHBondContact NH2-OG 2.92Å
233L95.3Very high92.1Very high12 Ų1247.8 Ų47.86%0.06323%0.233CC..THydrogen-bonded Turntrans-79-19.6-176.5-74.3168.9000113.4F176 V188 I212 S216 D217 L219 D235F176-L233 HydrophobicContact CE2-CD1 3.93Å; F176-L233 HydrophobicContact CZ-CD1 3.86Å; V188-L233 HydrophobicContact CG2-CD2 4.02Å; I212-L233 HydrophobicContact CG2-CD1 4.07Å; S216-L233 WeakPolarHBondContact O-CD1 3.37Å; D217-L233 PolarHBondContact O-N 2.96Å; L219-L233 HydrophobicContact CB-CD1 4.11Å; L219-L233 HydrophobicContact CB-CD2 3.86Å; L219-L233 HydrophobicContact CB-CG 3.95Å; L219-L233 HydrophobicContact CD2-CD2 4.22Å; L233-D235 PolarHBondContact O-N 3.45Å
234N92.3Very high90.5Very high123 Ų12348.4 Ų48.466%0.65824%0.239SC*.THydrogen-bonded Turntrans-64.5-38.9178.9-68-20.2000112.7R232R232-N234 VanDerWaalsContact C-N 3.35Å
235D92.3Very high88.5Confident88 Ų8848.5 Ų48.547%0.47125%0.248SC..THydrogen-bonded Turntrans-125.81.1-178.563.20000113.4R232 L233 S237R232-D235 WeakPolarHBondContact CB-OD1 3.44Å; L233-D235 PolarHBondContact O-N 3.45Å; D235-S237 PolarHBondContact O-N 2.84Å; D235-S237 VanDerWaalsContact OD1-CB 3.26Å; D235-S237 WeakPolarHBondContact OD1-CB 3.29Å; D235-S237 PolarHBondContact OD1-N 2.81Å; D235-S237 PolarHBondContact OD1-OG 2.79Å; D235-S237 PolarHBondContact OD2-OG 2.88Å; D235-S237 VanDerWaalsContact OD2-OG 3.08Å
236C92.3Very high86.8Confident7 Ų756.6 Ų56.65%0.04727%0.274CS..  trans5427.2-172.4-75.20000114.3W198 R232W198-C236 HydrophobicContact CD2-CB 4.21Å; W198-C236 HydrophobicContact CE3-CB 4.28Å; R232-C236 CarbonylContact O-C 3.57Å; R232-C236 WeakPolarHBondContact O-CA 3.5Å; R232-C236 PolarHBondContact O-N 3.04Å
237S94.3Very high85Confident38 Ų3858.2 Ų58.227%0.26628%0.277SS..  trans-78144.2175.966.60000111.9W231 R232 D235 M239W231-S237 WeakPolarHBondContact CA-O 3.04Å; R232-S237 PolarHBondContact N-O 3.37Å; R232-S237 PolarHBondContact O-N 2.72Å; D235-S237 PolarHBondContact O-N 2.84Å; D235-S237 VanDerWaalsContact OD1-CB 3.26Å; D235-S237 WeakPolarHBondContact OD1-CB 3.29Å; D235-S237 PolarHBondContact OD1-N 2.81Å; D235-S237 PolarHBondContact OD1-OG 2.79Å; D235-S237 PolarHBondContact OD2-OG 2.88Å; D235-S237 VanDerWaalsContact OD2-OG 3.08Å; S237-M239 PolarHBondContact O-N 2.84Å
238K95.1Very high82.7Confident113 Ų11359.1 Ų59.149%0.49129%0.289SS..EExtended strand (participates in β ladder)trans-71.8115.3171.3-170.917666167.90108.9Y229 W231Y229-K238 HydrophobicContact CD1-CD 3.68Å; Y229-K238 HydrophobicContact CD1-CG 4.43Å; Y229-K238 HydrophobicContact CE1-CD 4.02Å; Y229-K238 HydrophobicContact CG-CD 4.1Å; W231-K238 HydrophobicContact CE3-CB 3.85Å; W231-K238 HydrophobicContact CE3-CG 4.4Å; W231-K238 HydrophobicContact CH2-CB 4.11Å; W231-K238 HydrophobicContact CH2-CD 4.34Å; W231-K238 HydrophobicContact CH2-CG 4.27Å; W231-K238 HydrophobicContact CZ3-CB 3.56Å; W231-K238 HydrophobicContact CZ3-CG 4.15Å
239M94.2Very high80.2Confident18 Ų1861.9 Ų61.99%0.08931%0.311CS..EExtended strand (participates in β ladder)trans-84.3-48.6179.9-172.4-178.981.700111.7L218 I230 R232 S237 I299L218-M239 HydrophobicContact CD1-CE 4.21Å; L218-M239 HydrophobicContact CD2-CE 4.26Å; L218-M239 HydrophobicContact CD2-SD 3.74Å; I230-M239 HydrophobicContact CB-CE 3.94Å; I230-M239 HydrophobicContact CG2-CE 3.34Å; I230-M239 HydrophobicContact CG2-SD 4.45Å; I230-M239 WeakPolarHBondContact O-CA 3.34Å; I230-M239 WeakPolarHBondContact O-CB 3.48Å; I230-M239 PolarHBondContact O-N 3.43Å; R232-M239 HydrophobicContact CG-CB 4.31Å; R232-M239 HydrophobicContact CG-SD 4.3Å; S237-M239 PolarHBondContact O-N 2.84Å; M239-I299 HydrophobicContact CE-CG2 3.31Å
240A93.2Very high77.9Confident15 Ų1565.2 Ų65.212%0.12435%0.345CS..EExtended strand (participates in β ladder)trans-155.8165-173.500000112.3Y229 I230 C306Y229-A240 WeakPolarHBondContact CA-O 3.45Å; I230-A240 HydrophobicContact CB-CB 4.38Å; I230-A240 PolarHBondContact N-O 3.47Å; I230-A240 PolarHBondContact O-N 3.43Å; A240-C306 WeakPolarHBondContact CB-SG 3.4Å
241E91.7Very high75.4Confident61 Ų6168.7 Ų68.729%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-121.5121.1173.6-179.1177.815300109.8F227 T228 Y229 H243F227-E241 WeakPolarHBondContact CD1-OE1 3.36Å; F227-E241 WeakPolarHBondContact CE1-OE1 3.41Å; T228-E241 WeakPolarHBondContact O-CA 3.32Å; Y229-E241 HydrophobicContact CD1-CB 3.91Å; Y229-E241 HydrophobicContact CD1-CG 3.88Å; Y229-E241 HydrophobicContact CE1-CB 4.02Å; Y229-E241 HydrophobicContact CE1-CG 3.65Å; Y229-E241 WeakPolarHBondContact CE1-OE2 3.32Å; E241-H243 PolarHBondContact O-N 2.67Å; E241-H243 PolarHBondContact O-ND1 3.32Å; E241-H243 VanDerWaalsContact O-ND1 3.14Å; E241-H243 IonicContact OE1-NE2 2.57Å
242L89.6Confident73.1Confident3 Ų371.9 Ų71.92%0.01640%0.402CS..EExtended strand (participates in β ladder)trans-83.3110.7175.6-62.1-176.6000109.2T228 I230 G244 I258 L276 T278 W297 C306T228-L242 HydrophobicContact CG2-CB 4.11Å; T228-L242 HydrophobicContact CG2-CD1 3.88Å; T228-L242 HydrophobicContact CG2-CG 4.32Å; T228-L242 PolarHBondContact O-N 2.94Å; I230-L242 HydrophobicContact CD1-CD1 4.02Å; I230-L242 HydrophobicContact CD1-CG 4.36Å; I230-L242 HydrophobicContact CG1-CD1 4.4Å; I230-L242 HydrophobicContact CG1-CG 4.21Å; L242-G244 PolarHBondContact O-N 3.42Å; L242-I258 HydrophobicContact CB-CD1 4.36Å; L242-L276 HydrophobicContact CD1-CD2 3.42Å; L242-L276 VanDerWaalsContact CD1-CD2 3.42Å; L242-T278 HydrophobicContact CD1-CG2 4.32Å; L242-W297 HydrophobicContact CD2-CD2 4.23Å; L242-W297 HydrophobicContact CD2-CE3 3.92Å; L242-W297 HydrophobicContact CD2-CZ3 4.18Å; L242-C306 HydrophobicContact CD2-CB 3.43Å; L242-C306 VanDerWaalsContact CD2-CB 3.43Å
243H73.5Confident71.1Confident135 Ų13573.8 Ų73.863%0.62543%0.427SS*.  trans-79.6108.9177.7-67.869.2000109.6E241 D245E241-H243 PolarHBondContact O-N 2.67Å; E241-H243 PolarHBondContact O-ND1 3.32Å; E241-H243 VanDerWaalsContact O-ND1 3.14Å; E241-H243 IonicContact OE1-NE2 2.57Å; H243-D245 VanDerWaalsContact C-N 3.29Å
244G60.9Low69.4Low13 Ų1375.1 Ų75.113%0.13443%0.433CS..  trans-79.2-11.6171.400000114L242 R246L242-G244 PolarHBondContact O-N 3.42Å; G244-R246 PolarHBondContact O-N 3.41Å
245D49.4Very low68.6Low107 Ų10777 Ų7757%0.57244%0.435SS*.SBendtrans-901.6-143.7-115.8-2.9000117H243H243-D245 VanDerWaalsContact C-N 3.29Å
246R48Very low68.2Low229 Ų22973 Ų7386%0.86442%0.415SS*.  trans-144.768.8177.3-71.1-171178.9178.7-0113.6G244 V248G244-R246 PolarHBondContact O-N 3.41Å; R246-V248 VanDerWaalsContact C-N 3.33Å; R246-V248 HydrophobicContact CB-CG2 4.48Å; R246-V248 PolarHBondContact O-N 2.83Å
247M49.2Very low68.1Low56 Ų5675.1 Ų75.128%0.27642%0.421SS..  trans-83.985.2158.9-70.1-166.3153.600109.5A249 Y293 T295 S311M247-A249 PolarHBondContact O-N 3.09Å; M247-Y293 HydrophobicContact SD-CD1 4.4Å; M247-Y293 HydrophobicContact SD-CG 4.28Å; M247-T295 HydrophobicContact CE-CG2 4.22Å; M247-T295 WeakPolarHBondContact CE-OG1 3.28Å; M247-S311 WeakPolarHBondContact CE-OG 3.41Å; M247-S311 PolarHBondContact SD-OG 3.19Å; M247-S311 VanDerWaalsContact SD-OG 3.39Å
248V43.1Very low68Low105 Ų10573.3 Ų73.364%0.63641%0.409SS*.  trans-79.766.9170.3-1710000108.3R246 A250R246-V248 VanDerWaalsContact C-N 3.33Å; R246-V248 HydrophobicContact CB-CG2 4.48Å; R246-V248 PolarHBondContact O-N 2.83Å; V248-A250 PolarHBondContact O-N 2.91Å
249A43Very low68Low57 Ų5770.8 Ų70.847%0.47140%0.396SS..SBendtrans-77112.9163.100000107.4M247 G251M247-A249 PolarHBondContact O-N 3.09Å; A249-G251 PolarHBondContact O-N 3.28Å
250A48.7Very low68.1Low101 Ų10170.4 Ų70.484%0.83539%0.394SS*.THydrogen-bonded Turntrans55.250166.600000116.8V248 V252V248-A250 PolarHBondContact O-N 2.91Å; A250-V252 VanDerWaalsContact C-N 3.33Å; A250-V252 PolarHBondContact O-N 3.36Å
251G44Very low68.2Low73 Ų7369.7 Ų69.775%0.75339%0.388SS*.THydrogen-bonded Turntrans76.110164.400000116.5A249A249-G251 PolarHBondContact O-N 3.28Å
252V49.6Very low68.5Low77 Ų7768 Ų6847%0.46738%0.379SS..  trans-108.2113.6170.4-169.30000109.3A250 Q254A250-V252 VanDerWaalsContact C-N 3.33Å; A250-V252 PolarHBondContact O-N 3.36Å; V252-Q254 VanDerWaalsContact C-N 3.26Å; V252-Q254 HydrophobicContact CB-CG 4.28Å; V252-Q254 HydrophobicContact CG1-CG 3.54Å; V252-Q254 PolarHBondContact O-N 2.9Å
253S52.5Low68.9Low118 Ų11868.1 Ų68.183%0.82538%0.38SS*.  trans-73.779.2169.1610000109.8
254Q60.6Low69.9Low41 Ų4162 Ų6219%0.19235%0.352CS..  trans-81.9121.2170.3-64.5-171.4-25.900109.1V252 C256V252-Q254 VanDerWaalsContact C-N 3.26Å; V252-Q254 HydrophobicContact CB-CG 4.28Å; V252-Q254 HydrophobicContact CG1-CG 3.54Å; V252-Q254 PolarHBondContact O-N 2.9Å; Q254-C256 PolarHBondContact O-N 3.4Å
255K76.3Confident71.3Confident161 Ų16164.3 Ų64.370%0.736%0.358SS*.  trans-75.2104.6167.8-68.9-170.9179.4-173.70108.2V283K255-V283 HydrophobicContact CB-CB 4.34Å; K255-V283 HydrophobicContact CB-CG2 4.38Å; K255-V283 WeakPolarHBondContact O-CB 3.28Å; K255-V283 WeakPolarHBondContact O-CG2 3.38Å; K255-V283 PolarHBondContact O-N 3.38Å
256C83.5Confident73Confident6 Ų661.4 Ų61.44%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-107.7144.1174.7-68.90000109.1Q254 I281Q254-C256 PolarHBondContact O-N 3.4Å; C256-I281 CarbonylContact C-O 3.59Å; C256-I281 WeakPolarHBondContact CA-O 3.39Å
257R89.3Confident74.5Confident50 Ų5058.5 Ų58.519%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-119.2146171.369.1177.8-174.8122.64.7110.3D208 R224 R259 S280 I281 V283D208-R257 IonicContact OD2-CZ 3.27Å; D208-R257 IonicContact OD2-NH1 3.31Å; D208-R257 PolarHBondContact OD2-NH1 2.81Å; D208-R257 IonicContact OD2-NH2 3.57Å; R224-R257 PolarHBondContact O-NH1 3.45Å; R224-R257 VanDerWaalsContact O-NH1 3.09Å; R257-R259 PolarHBondContact O-N 3.44Å; R257-S280 CarbonylContact O-C 3.47Å; R257-S280 VanDerWaalsContact O-CA 3.25Å; R257-S280 WeakPolarHBondContact O-CA 3.16Å; R257-I281 HydrophobicContact CG-CG1 4.09Å; R257-I281 PolarHBondContact N-O 2.93Å; R257-I281 PolarHBondContact O-N 3.21Å; R257-V283 HydrophobicContact CB-CG2 3.83Å; R257-V283 HydrophobicContact CG-CG2 3.88Å
258I93.1Very high76.1Confident1 Ų165.1 Ų65.11%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-66.8131.8170.7-64.3168.9000107.8V222 T228 L242 T278V222-I258 HydrophobicContact CG1-CB 4.34Å; V222-I258 HydrophobicContact CG1-CG2 3.99Å; V222-I258 WeakPolarHBondContact CG1-O 3.32Å; V222-I258 HydrophobicContact CG2-CG2 3.95Å; T228-I258 HydrophobicContact CG2-CD1 4.35Å; L242-I258 HydrophobicContact CB-CD1 4.36Å; I258-T278 HydrophobicContact CD1-CG2 4.3Å; I258-T278 HydrophobicContact CG2-CG2 4.29Å
259R93.7Very high77.7Confident59 Ų5968 Ų6822%0.22336%0.363CS..EExtended strand (participates in β ladder)trans-111.2-35.4176.8176.362.5-172.297.3-7.7112.4D208 R257 C279 I281D208-R259 PolarHBondContact O-NH1 2.86Å; R257-R259 PolarHBondContact O-N 3.44Å; R259-C279 PolarHBondContact N-O 2.78Å; R259-I281 HydrophobicContact CB-CD1 3.76Å; R259-I281 HydrophobicContact CB-CG1 3.88Å; R259-I281 HydrophobicContact CB-CG2 3.98Å; R259-I281 HydrophobicContact CG-CD1 3.93Å
260F96.3Very high79.5Confident10 Ų1069 Ų694%0.04436%0.357CS..EExtended strand (participates in β ladder)trans-133144.1179.5-53.8-72.4000111.3D209 T278 C279 I319 S320 M322D209-F260 WeakPolarHBondContact OD2-CA 3.41Å; F260-T278 CarbonylContact O-C 3.52Å; F260-T278 VanDerWaalsContact O-CA 3.27Å; F260-T278 WeakPolarHBondContact O-CA 3.35Å; F260-C279 HydrophobicContact CB-CB 4.16Å; F260-C279 HydrophobicContact CD2-CB 4.21Å; F260-C279 PolarHBondContact N-O 3.38Å; F260-C279 PolarHBondContact O-N 3.36Å; F260-I319 HydrophobicContact CD2-CG2 4.22Å; F260-I319 HydrophobicContact CE2-CG2 3.9Å; F260-S320 VanDerWaalsContact CZ-O 3.26Å; F260-S320 WeakPolarHBondContact CZ-O 3.32Å; F260-M322 HydrophobicContact CB-CB 4.11Å; F260-M322 HydrophobicContact CB-CE 3.49Å; F260-M322 VanDerWaalsContact CB-CE 3.49Å; F260-M322 HydrophobicContact CB-SD 3.97Å; F260-M322 HydrophobicContact CD2-CB 4.09Å; F260-M322 HydrophobicContact CG-CB 4.01Å
261A96.9Very high81.2Confident0 Ų068.8 Ų68.80%034%0.342CS..EExtended strand (participates in β ladder)trans-138.7130.8175.100000109.7D209 D211 V220 V222 L276 V277 T278D209-A261 PolarHBondContact OD2-N 3.02Å; D209-A261 VanDerWaalsContact OD2-N 3.08Å; D211-A261 WeakPolarHBondContact CB-O 3.41Å; V220-A261 HydrophobicContact CB-CB 4.48Å; V220-A261 HydrophobicContact CG1-CB 3.82Å; V220-A261 HydrophobicContact CG2-CB 3.77Å; V222-A261 HydrophobicContact CG2-CB 3.73Å; A261-L276 HydrophobicContact CB-CD1 4.28Å; A261-V277 CarbonylContact C-O 3.56Å; A261-V277 WeakPolarHBondContact CA-O 3.5Å; A261-T278 HydrophobicContact CB-CG2 4.06Å
262R97.5Very high83.3Confident25 Ų2567.5 Ų67.59%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-136.2130.6177.7-64.6-75.6177.8-85.2-13.1111.3D209 D211 L276 V277 M322 V324D209-R262 IonicContact OD1-CZ 3.59Å; D209-R262 IonicContact OD1-NH1 3.13Å; D209-R262 PolarHBondContact OD1-NH1 3.05Å; D209-R262 IonicContact OD1-NH2 3.55Å; D209-R262 PolarHBondContact OD1-NH2 3.44Å; D209-R262 IonicContact OD2-CZ 3.34Å; D209-R262 IonicContact OD2-NH1 2.84Å; D209-R262 PolarHBondContact OD2-NH1 2.95Å; D209-R262 IonicContact OD2-NH2 3.06Å; D209-R262 PolarHBondContact OD2-NH2 2.96Å; D211-R262 WeakPolarHBondContact OD2-CA 3.2Å; R262-L276 VanDerWaalsContact C-CD1 3.43Å; R262-L276 WeakPolarHBondContact O-CD1 3.44Å; R262-V277 HydrophobicContact CB-CG1 4.14Å; R262-V277 PolarHBondContact N-O 3.08Å; R262-V277 PolarHBondContact O-N 3Å; R262-M322 HydrophobicContact CB-CE 3.89Å; R262-M322 HydrophobicContact CG-CE 3.26Å; R262-V324 HydrophobicContact CB-CG2 3.44Å; R262-V324 VanDerWaalsContact CB-CG2 3.44Å; R262-V324 HydrophobicContact CG-CG2 3.72Å
263F97.1Very high85.3Confident6 Ų665 Ų653%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-70.4144.5169.9-77.8-78.7000109.8D211 I212 L218 V220 F265 Q274 L275 L276 I299D211-F263 HydrophobicContact CB-CD2 4.23Å; D211-F263 WeakPolarHBondContact O-CE2 3.16Å; D211-F263 PolarHBondContact OD2-N 2.98Å; I212-F263 VanDerWaalsContact C-CD2 3.41Å; L218-F263 HydrophobicContact CB-CZ 4.03Å; V220-F263 HydrophobicContact CB-CE2 3.98Å; V220-F263 HydrophobicContact CB-CZ 4.35Å; V220-F263 HydrophobicContact CG1-CD2 4.15Å; V220-F263 HydrophobicContact CG1-CE2 3.73Å; V220-F263 HydrophobicContact CG1-CZ 4.5Å; F263-F265 HydrophobicContact CB-CE1 4.04Å; F263-Q274 HydrophobicContact CD1-CB 4.09Å; F263-Q274 HydrophobicContact CE1-CB 3.98Å; F263-L275 WeakPolarHBondContact CA-O 3.42Å; F263-L276 HydrophobicContact CD1-CB 4.34Å; F263-L276 HydrophobicContact CD1-CD1 3.99Å; F263-L276 HydrophobicContact CD2-CD1 4.04Å; F263-L276 HydrophobicContact CE1-CB 4.44Å; F263-L276 HydrophobicContact CE1-CD1 4.15Å; F263-L276 HydrophobicContact CE2-CD1 4.21Å; F263-L276 HydrophobicContact CG-CD1 3.94Å; F263-L276 HydrophobicContact CZ-CD1 4.26Å; F263-I299 HydrophobicContact CE1-CD1 3.83Å; F263-I299 HydrophobicContact CZ-CD1 4.34Å
264L95.2Very high87.3Confident7 Ų760.1 Ų60.14%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-103.7138.3178.4-58.3178.2000109.5P266 L275 V277 L296 V324 L331 T345L264-P266 WeakPolarHBondContact O-CD 3.48Å; L264-L275 HydrophobicContact CB-CB 3.95Å; L264-L275 HydrophobicContact CD1-CB 4.15Å; L264-L275 HydrophobicContact CG-CB 4.43Å; L264-L275 PolarHBondContact N-O 2.81Å; L264-V277 HydrophobicContact CD1-CB 4.44Å; L264-V277 HydrophobicContact CD2-CB 4.41Å; L264-V277 HydrophobicContact CD2-CG1 3.92Å; L264-V277 HydrophobicContact CG-CG1 4.46Å; L264-L296 HydrophobicContact CD1-CD1 3.51Å; L264-V324 HydrophobicContact CD2-CG1 3.84Å; L264-V324 HydrophobicContact CD2-CG2 4.49Å; L264-L331 HydrophobicContact CD2-CD2 4.46Å; L264-T345 HydrophobicContact CD1-CG2 3.38Å; L264-T345 HydrophobicContact CD2-CG2 3.79Å; L264-T345 HydrophobicContact CG-CG2 4.23Å
265F91.3Very high89Confident62 Ų6259.8 Ų59.827%0.27227%0.268SS..  trans-110.574.8-177.8-69.44.5000108.3P172 R214 F263 S328P172-F265 HydrophobicContact CG-CE2 4.11Å; P172-F265 HydrophobicContact CG-CZ 3.76Å; R214-F265 VanDerWaalsContact CA-CE1 3.42Å; R214-F265 HydrophobicContact CB-CD1 3.56Å; R214-F265 HydrophobicContact CB-CE1 3.55Å; R214-F265 HydrophobicContact CB-CG 4.2Å; R214-F265 HydrophobicContact CB-CZ 4.12Å; R214-F265 HydrophobicContact CG-CD1 4.2Å; R214-F265 HydrophobicContact CG-CE1 4.4Å; R214-F265 HydrophobicContact CG-CG 4.34Å; R214-F265 VanDerWaalsContact CZ-CB 3.5Å; R214-F265 VanDerWaalsContact N-CE1 3.34Å; R214-F265 PolarHBondContact NH2-O 3.33Å; F263-F265 HydrophobicContact CB-CE1 4.04Å; F265-S328 WeakPolarHBondContact CA-OG 3.32Å; F265-S328 PolarHBondContact N-OG 3.08Å; F265-S328 PolarHBondContact O-OG 2.78Å
266P83.4Confident89.9Confident46 Ų4652.1 Ų52.130%0.29924%0.235SC..  trans-65.5152.1178.828.4-35.4000111.9R214 L264 R268 L275R214-P266 PolarHBondContact NH1-O 2.79Å; R214-P266 PolarHBondContact NH2-O 3.5Å; L264-P266 WeakPolarHBondContact O-CD 3.48Å; P266-R268 VanDerWaalsContact C-N 3.33Å; P266-R268 PolarHBondContact O-N 3Å; P266-L275 HydrophobicContact CG-CD1 4.38Å
267E80.6Confident90.5Very high167 Ų16751.9 Ų51.978%0.7823%0.233SC*.SBendtrans-60-41.7-177.4-169.9168.517600112.5R269 K329E267-R269 PolarHBondContact O-N 3.07Å; E267-K329 IonicContact OE2-NZ 3.65Å; E267-K329 PolarHBondContact OE2-NZ 2.97Å
268R81.5Confident90.8Very high196 Ų19649.5 Ų49.574%0.7422%0.224SC*.SBendtrans-78.1117169.2-169.8177.6-176.2167.7-0.8109.3P266 E270P266-R268 VanDerWaalsContact C-N 3.33Å; P266-R268 PolarHBondContact O-N 3Å; R268-E270 HydrophobicContact CG-CG 4.44Å
269R77.4Confident90.8Very high165 Ų16549.4 Ų49.462%0.62322%0.224SC*.  trans-77.4129.7171.7179.7177.7170.8168.3-0.3109.5E267 D271E267-R269 PolarHBondContact O-N 3.07Å; R269-D271 IonicContact CZ-OD1 2.97Å; R269-D271 VanDerWaalsContact CZ-OD1 3.27Å; R269-D271 IonicContact NE-OD1 3.36Å; R269-D271 PolarHBondContact NE-OD1 3.06Å; R269-D271 IonicContact NH2-OD1 3.1Å; R269-D271 PolarHBondContact NH2-OD1 2.95Å
270E82Confident90.8Very high77 Ų7746.9 Ų46.936%0.3622%0.215SC..  trans-125.4125.5170.9-61.3-167.1-149.900107.6R268 F273R268-E270 HydrophobicContact CG-CG 4.44Å; E270-F273 HydrophobicContact CB-CD1 4.5Å; E270-F273 HydrophobicContact CB-CE1 4.12Å; E270-F273 HydrophobicContact CB-CZ 4.14Å; E270-F273 VanDerWaalsContact CD-CZ 3.45Å; E270-F273 HydrophobicContact CG-CE1 4.44Å; E270-F273 HydrophobicContact CG-CZ 4.27Å; E270-F273 WeakPolarHBondContact OE2-CE1 3.46Å; E270-F273 WeakPolarHBondContact OE2-CZ 3.4Å
271D83.2Confident90.5Very high97 Ų9747.1 Ų47.152%0.51922%0.217SC..SBendtrans-84.9-19-173.8-70.3-40000112.8R269 K301R269-D271 IonicContact CZ-OD1 2.97Å; R269-D271 VanDerWaalsContact CZ-OD1 3.27Å; R269-D271 IonicContact NE-OD1 3.36Å; R269-D271 PolarHBondContact NE-OD1 3.06Å; R269-D271 IonicContact NH2-OD1 3.1Å; R269-D271 PolarHBondContact NH2-OD1 2.95Å; D271-K301 WeakPolarHBondContact O-CD 3.49Å; D271-K301 WeakPolarHBondContact O-CE 3.35Å; D271-K301 PolarHBondContact O-NZ 3.36Å
272S87.7Confident90Very high47 Ų4748.1 Ų48.133%0.32922%0.223SC..SBendtrans-74.8-38.9-176.746.50000113.8K301S272-K301 WeakPolarHBondContact O-CB 3.34Å; S272-K301 PolarHBondContact O-N 3.16Å; S272-K301 VanDerWaalsContact O-N 3.08Å
273F92.6Very high89.2Confident25 Ų2551 Ų5111%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-129.9164.4-17967.5-99.9000112.9E270 L275 R298 I299E270-F273 HydrophobicContact CB-CD1 4.5Å; E270-F273 HydrophobicContact CB-CE1 4.12Å; E270-F273 HydrophobicContact CB-CZ 4.14Å; E270-F273 VanDerWaalsContact CD-CZ 3.45Å; E270-F273 HydrophobicContact CG-CE1 4.44Å; E270-F273 HydrophobicContact CG-CZ 4.27Å; E270-F273 WeakPolarHBondContact OE2-CE1 3.46Å; E270-F273 WeakPolarHBondContact OE2-CZ 3.4Å; F273-L275 HydrophobicContact CD2-CD2 4.2Å; F273-L275 HydrophobicContact CD2-CG 4.24Å; F273-L275 HydrophobicContact CE2-CD1 4.46Å; F273-L275 HydrophobicContact CE2-CD2 3.99Å; F273-L275 HydrophobicContact CE2-CG 3.94Å; F273-R298 HydrophobicContact CB-CG 4.12Å; F273-R298 HydrophobicContact CD2-CG 4.12Å; F273-R298 HydrophobicContact CG-CG 4.12Å; F273-I299 CarbonylContact C-O 3.49Å; F273-I299 WeakPolarHBondContact CA-O 3.42Å; F273-I299 VanDerWaalsContact CB-O 3.31Å; F273-I299 WeakPolarHBondContact CB-O 3.41Å
274Q94.1Very high88.2Confident15 Ų1554.3 Ų54.37%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-121.2149.7168.8-64.5-64.4-57.200109.5D215 L218 F263 I299D215-Q274 PolarHBondContact OD2-NE2 3.32Å; L218-Q274 HydrophobicContact CD1-CB 4.46Å; L218-Q274 HydrophobicContact CD1-CG 4.04Å; F263-Q274 HydrophobicContact CD1-CB 4.09Å; F263-Q274 HydrophobicContact CE1-CB 3.98Å; Q274-I299 HydrophobicContact CB-CB 4.49Å; Q274-I299 PolarHBondContact N-O 3.31Å; Q274-I299 PolarHBondContact O-N 3.39Å
275L95.3Very high86.8Confident34 Ų3464.7 Ų64.718%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-102.6136.3173.5-68177.5000109.4F263 L264 P266 F273 W297 R298 I309F263-L275 WeakPolarHBondContact CA-O 3.42Å; L264-L275 HydrophobicContact CB-CB 3.95Å; L264-L275 HydrophobicContact CD1-CB 4.15Å; L264-L275 HydrophobicContact CG-CB 4.43Å; L264-L275 PolarHBondContact N-O 2.81Å; P266-L275 HydrophobicContact CG-CD1 4.38Å; F273-L275 HydrophobicContact CD2-CD2 4.2Å; F273-L275 HydrophobicContact CD2-CG 4.24Å; F273-L275 HydrophobicContact CE2-CD1 4.46Å; F273-L275 HydrophobicContact CE2-CD2 3.99Å; F273-L275 HydrophobicContact CE2-CG 3.94Å; L275-W297 WeakPolarHBondContact CA-O 3.43Å; L275-R298 HydrophobicContact CD2-CB 4.41Å; L275-I309 HydrophobicContact CD2-CD1 3.87Å
276L96.1Very high85.4Confident0 Ų064 Ų640%031%0.309CS..EExtended strand (participates in β ladder)trans-130.3135.6178.5-179.682.6000109V220 I230 L242 A261 R262 F263 T278 W297 I299V220-L276 HydrophobicContact CB-CD1 4.36Å; V220-L276 HydrophobicContact CG1-CD1 3.88Å; V220-L276 HydrophobicContact CG2-CD2 4.21Å; I230-L276 HydrophobicContact CD1-CD2 4.25Å; L242-L276 HydrophobicContact CD1-CD2 3.42Å; L242-L276 VanDerWaalsContact CD1-CD2 3.42Å; A261-L276 HydrophobicContact CB-CD1 4.28Å; R262-L276 VanDerWaalsContact C-CD1 3.43Å; R262-L276 WeakPolarHBondContact O-CD1 3.44Å; F263-L276 HydrophobicContact CD1-CB 4.34Å; F263-L276 HydrophobicContact CD1-CD1 3.99Å; F263-L276 HydrophobicContact CD2-CD1 4.04Å; F263-L276 HydrophobicContact CE1-CB 4.44Å; F263-L276 HydrophobicContact CE1-CD1 4.15Å; F263-L276 HydrophobicContact CE2-CD1 4.21Å; F263-L276 HydrophobicContact CG-CD1 3.94Å; F263-L276 HydrophobicContact CZ-CD1 4.26Å; L276-T278 HydrophobicContact CD2-CG2 3.69Å; L276-T278 HydrophobicContact CG-CG2 4.15Å; L276-W297 HydrophobicContact CB-CB 4.25Å; L276-W297 PolarHBondContact N-O 2.8Å; L276-W297 PolarHBondContact O-N 2.81Å; L276-I299 HydrophobicContact CB-CD1 3.64Å; L276-I299 HydrophobicContact CB-CG1 4.46Å; L276-I299 HydrophobicContact CD2-CD1 3.98Å; L276-I299 HydrophobicContact CG-CD1 4.34Å
277V96Very high84.3Confident0 Ų067.3 Ų67.30%034%0.34CS..EExtended strand (participates in β ladder)trans-106.8133.4166.669.30000110A261 R262 L264 T295 M322 L331 L348A261-V277 CarbonylContact C-O 3.56Å; A261-V277 WeakPolarHBondContact CA-O 3.5Å; R262-V277 HydrophobicContact CB-CG1 4.14Å; R262-V277 PolarHBondContact N-O 3.08Å; R262-V277 PolarHBondContact O-N 3Å; L264-V277 HydrophobicContact CD1-CB 4.44Å; L264-V277 HydrophobicContact CD2-CB 4.41Å; L264-V277 HydrophobicContact CD2-CG1 3.92Å; L264-V277 HydrophobicContact CG-CG1 4.46Å; V277-T295 CarbonylContact C-O 3.58Å; V277-T295 WeakPolarHBondContact CA-O 3.2Å; V277-M322 HydrophobicContact CG1-CE 4.43Å; V277-L331 HydrophobicContact CG1-CD1 4.28Å; V277-L331 HydrophobicContact CG1-CD2 3.85Å; V277-L331 HydrophobicContact CG2-CD1 3.8Å; V277-L348 HydrophobicContact CG2-CD2 4.11Å
278T95.6Very high83.7Confident0 Ų069.4 Ų69.40%034%0.341CS..EExtended strand (participates in β ladder)trans-118.2148.2173.669.50000111.2L242 I258 F260 A261 L276 L294 T295 W297L242-T278 HydrophobicContact CD1-CG2 4.32Å; I258-T278 HydrophobicContact CD1-CG2 4.3Å; I258-T278 HydrophobicContact CG2-CG2 4.29Å; F260-T278 CarbonylContact O-C 3.52Å; F260-T278 VanDerWaalsContact O-CA 3.27Å; F260-T278 WeakPolarHBondContact O-CA 3.35Å; A261-T278 HydrophobicContact CB-CG2 4.06Å; L276-T278 HydrophobicContact CD2-CG2 3.69Å; L276-T278 HydrophobicContact CG-CG2 4.15Å; T278-L294 WeakPolarHBondContact O-CA 3.02Å; T278-T295 PolarHBondContact N-O 3.27Å; T278-T295 PolarHBondContact O-N 3.19Å; T278-W297 PolarHBondContact OG1-NE1 2.86Å
279C94.3Very high83.3Confident0 Ų068.6 Ų68.60%034%0.343CS..EExtended strand (participates in β ladder)trans-115.2116.4173.9174.90000109.3R259 F260 Y293 L294 I319 M322R259-C279 PolarHBondContact N-O 2.78Å; F260-C279 HydrophobicContact CB-CB 4.16Å; F260-C279 HydrophobicContact CD2-CB 4.21Å; F260-C279 PolarHBondContact N-O 3.38Å; F260-C279 PolarHBondContact O-N 3.36Å; C279-Y293 CarbonylContact C-O 3.6Å; C279-Y293 WeakPolarHBondContact CA-O 3.31Å; C279-L294 HydrophobicContact CB-CD2 3.82Å; C279-I319 WeakPolarHBondContact SG-CD1 3.26Å; C279-M322 HydrophobicContact CB-SD 3.89Å
280S92.2Very high83.4Confident5 Ų562.2 Ų62.24%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-99.6132.8178.1-60.70000111.2R257 C292 Y293R257-S280 CarbonylContact O-C 3.47Å; R257-S280 VanDerWaalsContact O-CA 3.25Å; R257-S280 WeakPolarHBondContact O-CA 3.16Å; S280-C292 WeakPolarHBondContact O-CA 3.46Å; S280-Y293 PolarHBondContact N-O 3.28Å; S280-Y293 PolarHBondContact O-N 3.42Å
281I90.1Very high83.6Confident15 Ų1559.2 Ų59.28%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-115.1151.2177.666.7174.4000110.4C256 R257 R259C256-I281 CarbonylContact C-O 3.59Å; C256-I281 WeakPolarHBondContact CA-O 3.39Å; R257-I281 HydrophobicContact CG-CG1 4.09Å; R257-I281 PolarHBondContact N-O 2.93Å; R257-I281 PolarHBondContact O-N 3.21Å; R259-I281 HydrophobicContact CB-CD1 3.76Å; R259-I281 HydrophobicContact CB-CG1 3.88Å; R259-I281 HydrophobicContact CB-CG2 3.98Å; R259-I281 HydrophobicContact CG-CD1 3.93Å
282P86.8Confident84Confident22 Ų2254.6 Ų54.614%0.14328%0.284CS..EExtended strand (participates in β ladder)trans-62.8138173.925.1-34.7000112.2Q290P282-Q290 HydrophobicContact CB-CB 3.66Å; P282-Q290 HydrophobicContact CB-CG 4.38Å; P282-Q290 HydrophobicContact CG-CB 3.89Å
283V81.3Confident84.2Confident85 Ų8554.2 Ų54.252%0.51528%0.275SS..SBendtrans-78.4-41.9178.2177.40000111.4K255 R257K255-V283 HydrophobicContact CB-CB 4.34Å; K255-V283 HydrophobicContact CB-CG2 4.38Å; K255-V283 WeakPolarHBondContact O-CB 3.28Å; K255-V283 WeakPolarHBondContact O-CG2 3.38Å; K255-V283 PolarHBondContact O-N 3.38Å; R257-V283 HydrophobicContact CB-CG2 3.83Å; R257-V283 HydrophobicContact CG-CG2 3.88Å
284S76.2Confident84.2Confident76 Ų7653.1 Ų53.153%0.53127%0.27SS..SBendtrans-100.4130.9179.7-179.10000111.2S286 Q290S284-S286 PolarHBondContact O-N 2.82Å; S284-Q290 PolarHBondContact O-OE1 2.8Å
285R65.9Low84.2Confident225 Ų22552.4 Ų52.485%0.84927%0.267SS*.  trans-78.373.2169-65.7-174.2-179.5-174.40.8109.1
286S61.1Low84.2Confident48 Ų4851.5 Ų51.534%0.33626%0.263SS..  trans-66.6154.4169.273.40000110S284 R288 Q290S284-S286 PolarHBondContact O-N 2.82Å; S286-R288 PolarHBondContact O-N 2.77Å; S286-R288 VanDerWaalsContact O-O 3.07Å; S286-R288 PolarHBondContact OG-O 2.93Å; S286-Q290 PolarHBondContact OG-NE2 2.94Å
287A60.2Low84.1Confident114 Ų11452.6 Ų52.694%0.94227%0.267SS*.SBendtrans-57.2-22.9173.500000113.1
288R67.6Low84Confident212 Ų21256.8 Ų56.880%0.828%0.283SS*.SBendtrans-77.9130.5171.7-66-173.6179.9-179.70.8109.9S286 Q290S286-R288 PolarHBondContact O-N 2.77Å; S286-R288 VanDerWaalsContact O-O 3.07Å; S286-R288 PolarHBondContact OG-O 2.93Å; R288-Q290 WeakPolarHBondContact O-CG 3.28Å; R288-Q290 PolarHBondContact O-N 3.36Å
289K73.4Confident84Confident179 Ų17956.8 Ų56.878%0.77828%0.283SS*.  trans-61.1101.4172-68.2-172.3178.6-177.70109.5T316K289-T316 HydrophobicContact CB-CG2 4.37Å
290Q80.7Confident83.9Confident30 Ų3058.2 Ų58.214%0.1429%0.289CS..PPolyproline II helixtrans-83144.4178.2-63.2-172.6-16.700110.1P282 S284 S286 R288P282-Q290 HydrophobicContact CB-CB 3.66Å; P282-Q290 HydrophobicContact CB-CG 4.38Å; P282-Q290 HydrophobicContact CG-CB 3.89Å; S284-Q290 PolarHBondContact O-OE1 2.8Å; S286-Q290 PolarHBondContact OG-NE2 2.94Å; R288-Q290 WeakPolarHBondContact O-CG 3.28Å; R288-Q290 PolarHBondContact O-N 3.36Å
291A85.9Confident83.8Confident15 Ų1559.8 Ų59.812%0.12430%0.295CS..PPolyproline II helixtrans-80.1146.3-177.500000111.8Y293 S313 G315A291-Y293 HydrophobicContact CB-CE2 3.99Å; A291-Y293 WeakPolarHBondContact O-CE2 3.31Å; A291-S313 WeakPolarHBondContact CB-OG 3.49Å; A291-G315 WeakPolarHBondContact CA-O 3.38Å
292C90.6Very high83.7Confident0 Ų069.3 Ų69.30%033%0.33CS..PPolyproline II helixtrans-85.9148160.8-64.80000109.5S280 S313 C314 G315 I319S280-C292 WeakPolarHBondContact O-CA 3.46Å; C292-S313 CarbonylContact O-C 3.52Å; C292-S313 VanDerWaalsContact O-CA 3.32Å; C292-S313 WeakPolarHBondContact O-CA 3.45Å; C292-S313 PolarHBondContact O-OG 2.86Å; C292-C314 PolarHBondContact O-N 2.88Å; C292-G315 PolarHBondContact N-O 2.95Å; C292-I319 HydrophobicContact CB-CD1 3.83Å; C292-I319 HydrophobicContact CB-CG1 4.27Å
293Y91.7Very high83.7Confident39 Ų3974.3 Ų74.315%0.15336%0.356CS..EExtended strand (participates in β ladder)trans-122.8140-178.7-65.2-91.3000110.7M247 C279 S280 A291 R312M247-Y293 HydrophobicContact SD-CD1 4.4Å; M247-Y293 HydrophobicContact SD-CG 4.28Å; C279-Y293 CarbonylContact C-O 3.6Å; C279-Y293 WeakPolarHBondContact CA-O 3.31Å; S280-Y293 PolarHBondContact N-O 3.28Å; S280-Y293 PolarHBondContact O-N 3.42Å; A291-Y293 HydrophobicContact CB-CE2 3.99Å; A291-Y293 WeakPolarHBondContact O-CE2 3.31Å; Y293-R312 CarbonylContact C-O 3.59Å; Y293-R312 WeakPolarHBondContact CA-O 3.25Å
294L93.6Very high84.1Confident1 Ų172 Ų721%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-104.7137.4167.7-61.5175.3000108.5T278 C279 S311 R312 C314 L331 F333 V343 L348T278-L294 WeakPolarHBondContact O-CA 3.02Å; C279-L294 HydrophobicContact CB-CD2 3.82Å; L294-S311 CarbonylContact O-C 3.53Å; L294-S311 WeakPolarHBondContact O-CA 3.35Å; L294-S311 PolarHBondContact O-OG 3.42Å; L294-S311 VanDerWaalsContact O-OG 3.13Å; L294-R312 PolarHBondContact N-O 2.87Å; L294-R312 PolarHBondContact O-N 2.79Å; L294-C314 HydrophobicContact CD1-CB 3.8Å; L294-C314 HydrophobicContact CG-CB 3.8Å; L294-L331 HydrophobicContact CD1-CD1 4.46Å; L294-F333 HydrophobicContact CD1-CE1 4.44Å; L294-F333 HydrophobicContact CD1-CE2 3.73Å; L294-F333 HydrophobicContact CD1-CZ 3.49Å; L294-F333 VanDerWaalsContact CD1-CZ 3.49Å; L294-F333 HydrophobicContact CD2-CE1 3.52Å; L294-F333 HydrophobicContact CD2-CE2 4.32Å; L294-F333 HydrophobicContact CD2-CZ 3.34Å; L294-F333 HydrophobicContact CG-CZ 4.04Å; L294-V343 HydrophobicContact CD1-CB 4.47Å; L294-V343 HydrophobicContact CD1-CG1 3.96Å; L294-V343 HydrophobicContact CD1-CG2 4.19Å; L294-L348 HydrophobicContact CB-CD1 4.08Å; L294-L348 HydrophobicContact CB-CD2 4.13Å; L294-L348 HydrophobicContact CD1-CD2 4.49Å; L294-L348 WeakPolarHBondContact O-CD1 3.1Å
295T94Very high84.7Confident1 Ų170.1 Ų70.11%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-131.8127.5177.9-52.40000109.6M247 V277 T278 W297 L310 S311M247-T295 HydrophobicContact CE-CG2 4.22Å; M247-T295 WeakPolarHBondContact CE-OG1 3.28Å; V277-T295 CarbonylContact C-O 3.58Å; V277-T295 WeakPolarHBondContact CA-O 3.2Å; T278-T295 PolarHBondContact N-O 3.27Å; T278-T295 PolarHBondContact O-N 3.19Å; T295-W297 HydrophobicContact CG2-CD2 4.13Å; T295-W297 VanDerWaalsContact CG2-CE2 3.46Å; T295-W297 HydrophobicContact CG2-CG 4.46Å; T295-W297 HydrophobicContact CG2-CZ2 3.72Å; T295-W297 VanDerWaalsContact O-CD1 3.3Å; T295-L310 CarbonylContact C-O 3.51Å; T295-L310 WeakPolarHBondContact CA-O 3.38Å; T295-S311 PolarHBondContact OG1-OG 2.93Å
296L94.9Very high85.9Confident15 Ų1561 Ų618%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-93.9127172.5179.564.2000108.5L264 S308 I309 L310 L348L264-L296 HydrophobicContact CD1-CD1 3.51Å; L296-S308 CarbonylContact O-C 3.52Å; L296-I309 HydrophobicContact CD2-CB 4.35Å; L296-I309 HydrophobicContact CD2-CD1 4.15Å; L296-I309 HydrophobicContact CD2-CG2 4.4Å; L296-I309 HydrophobicContact CG-CB 4.34Å; L296-I309 HydrophobicContact CG-CD1 4.08Å; L296-I309 PolarHBondContact O-N 2.83Å; L296-L310 HydrophobicContact CB-CB 4.49Å; L296-L310 PolarHBondContact N-O 2.71Å; L296-L310 PolarHBondContact O-N 2.75Å; L296-L348 HydrophobicContact CB-CD1 4.05Å
297W94.4Very high87.4Confident23 Ų2364.2 Ų64.29%0.08731%0.31CS..EExtended strand (participates in β ladder)trans-117.2143.8-178.1-55.682.6000110.7L242 L275 L276 T278 T295 E307L242-W297 HydrophobicContact CD2-CD2 4.23Å; L242-W297 HydrophobicContact CD2-CE3 3.92Å; L242-W297 HydrophobicContact CD2-CZ3 4.18Å; L275-W297 WeakPolarHBondContact CA-O 3.43Å; L276-W297 HydrophobicContact CB-CB 4.25Å; L276-W297 PolarHBondContact N-O 2.8Å; L276-W297 PolarHBondContact O-N 2.81Å; T278-W297 PolarHBondContact OG1-NE1 2.86Å; T295-W297 HydrophobicContact CG2-CD2 4.13Å; T295-W297 VanDerWaalsContact CG2-CE2 3.46Å; T295-W297 HydrophobicContact CG2-CG 4.46Å; T295-W297 HydrophobicContact CG2-CZ2 3.72Å; T295-W297 VanDerWaalsContact O-CD1 3.3Å; W297-E307 CarbonylContact C-O 3.56Å; W297-E307 VanDerWaalsContact CA-O 3.26Å; W297-E307 WeakPolarHBondContact CA-O 3.34Å
298R93.9Very high88.9Confident88 Ų8862.3 Ų62.333%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-105.4125.1165-177.3175175.8163.6-2.7108.3F273 L275 E300 C306 E307 I309F273-R298 HydrophobicContact CB-CG 4.12Å; F273-R298 HydrophobicContact CD2-CG 4.12Å; F273-R298 HydrophobicContact CG-CG 4.12Å; L275-R298 HydrophobicContact CD2-CB 4.41Å; R298-E300 IonicContact CZ-OE1 3.39Å; R298-E300 IonicContact NE-OE1 3.9Å; R298-E300 PolarHBondContact NE-OE1 2.71Å; R298-E300 IonicContact NH2-OE1 2.84Å; R298-E300 PolarHBondContact NH2-OE1 2.85Å; R298-C306 WeakPolarHBondContact O-CA 3.27Å; R298-E307 PolarHBondContact N-O 3.32Å; R298-E307 PolarHBondContact O-N 3.25Å; R298-I309 HydrophobicContact CB-CD1 3.76Å; R298-I309 HydrophobicContact CB-CG1 4.04Å
299I94.2Very high90Very high0 Ų056.8 Ų56.80%028%0.275CS..EExtended strand (participates in β ladder)trans-113.6107.3-178.2-59.6172.9000107.4L218 I230 M239 F263 F273 Q274 L276L218-I299 HydrophobicContact CD1-CG2 4.09Å; I230-I299 HydrophobicContact CD1-CD1 3.9Å; I230-I299 HydrophobicContact CG1-CD1 4.23Å; M239-I299 HydrophobicContact CE-CG2 3.31Å; F263-I299 HydrophobicContact CE1-CD1 3.83Å; F263-I299 HydrophobicContact CZ-CD1 4.34Å; F273-I299 CarbonylContact C-O 3.49Å; F273-I299 WeakPolarHBondContact CA-O 3.42Å; F273-I299 VanDerWaalsContact CB-O 3.31Å; F273-I299 WeakPolarHBondContact CB-O 3.41Å; Q274-I299 HydrophobicContact CB-CB 4.49Å; Q274-I299 PolarHBondContact N-O 3.31Å; Q274-I299 PolarHBondContact O-N 3.39Å; L276-I299 HydrophobicContact CB-CD1 3.64Å; L276-I299 HydrophobicContact CB-CG1 4.46Å; L276-I299 HydrophobicContact CD2-CD1 3.98Å; L276-I299 HydrophobicContact CG-CD1 4.34Å
300E93.8Very high91Very high30 Ų3050.6 Ų50.614%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-80.7124.8175.4-69.5-66.1165.300109.9R298 S304 S305R298-E300 IonicContact CZ-OE1 3.39Å; R298-E300 IonicContact NE-OE1 3.9Å; R298-E300 PolarHBondContact NE-OE1 2.71Å; R298-E300 IonicContact NH2-OE1 2.84Å; R298-E300 PolarHBondContact NH2-OE1 2.85Å; E300-S304 WeakPolarHBondContact O-CA 3.43Å; E300-S304 PolarHBondContact O-N 3Å; E300-S305 WeakPolarHBondContact CB-OG 3.37Å; E300-S305 PolarHBondContact N-O 2.79Å
301K89.7Confident91.5Very high38 Ų3851.2 Ų51.217%0.16526%0.258CS..THydrogen-bonded Turntrans-73.1-36.7-175.8-65.3-176.9-174.1170.10113.1D215 L218 R232 D271 S272D215-K301 WeakPolarHBondContact OD2-CE 3.02Å; D215-K301 IonicContact OD2-NZ 3.69Å; D215-K301 PolarHBondContact OD2-NZ 3.27Å; L218-K301 HydrophobicContact CD1-CG 4.3Å; R232-K301 PolarHBondContact NH2-O 2.79Å; R232-K301 VanDerWaalsContact NH2-O 3.13Å; D271-K301 WeakPolarHBondContact O-CD 3.49Å; D271-K301 WeakPolarHBondContact O-CE 3.35Å; D271-K301 PolarHBondContact O-NZ 3.36Å; S272-K301 WeakPolarHBondContact O-CB 3.34Å; S272-K301 PolarHBondContact O-N 3.16Å; S272-K301 VanDerWaalsContact O-N 3.08Å
302R88Confident91.8Very high214 Ų21456.4 Ų56.481%0.80828%0.275SS*.THydrogen-bonded Turntrans-74.8-51.8-174.3-68.3-176.2179.6175.20.3111.4S304R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.39Å
303D87.2Confident91.7Very high128 Ų12859.3 Ų59.368%0.68430%0.295SS*.THydrogen-bonded Turntrans-85.1-4-175.7-57.7-26.7000112.5S305D303-S305 PolarHBondContact O-N 3.13Å
304S88.3Confident91.5Very high36 Ų3657.7 Ų57.725%0.25229%0.29SS..  trans54.221-172.3-52.40000113R232 E300 R302R232-S304 PolarHBondContact NH2-OG 2.92Å; E300-S304 WeakPolarHBondContact O-CA 3.43Å; E300-S304 PolarHBondContact O-N 3Å; R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.39Å
305S89.8Confident91.2Very high36 Ų3659.1 Ų59.125%0.25231%0.305SS..  trans-87145.4-176.8670000110.8E300 D303E300-S305 WeakPolarHBondContact CB-OG 3.37Å; E300-S305 PolarHBondContact N-O 2.79Å; D303-S305 PolarHBondContact O-N 3.13Å
306C92.1Very high90.9Very high35 Ų3562.5 Ų62.524%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-126.4113.5178.6-66.30000109A240 L242 R298A240-C306 WeakPolarHBondContact CB-SG 3.4Å; L242-C306 HydrophobicContact CD2-CB 3.43Å; L242-C306 VanDerWaalsContact CD2-CB 3.43Å; R298-C306 WeakPolarHBondContact O-CA 3.27Å
307E91.8Very high90.6Very high114 Ų11465.2 Ų65.253%0.53334%0.338SS..EExtended strand (participates in β ladder)trans-113.6132.1-176.8-64.3-176.3170.700110.6W297 R298 I309W297-E307 CarbonylContact C-O 3.56Å; W297-E307 VanDerWaalsContact CA-O 3.26Å; W297-E307 WeakPolarHBondContact CA-O 3.34Å; R298-E307 PolarHBondContact N-O 3.32Å; R298-E307 PolarHBondContact O-N 3.25Å; E307-I309 PolarHBondContact O-N 3.38Å
308S91.2Very high90.4Very high74 Ų7466.3 Ų66.352%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-80.7116.5171.362.30000109.9L296L296-S308 CarbonylContact O-C 3.52Å
309I92Very high90.5Very high96 Ų9662.3 Ų62.349%0.49233%0.332SS..EExtended strand (participates in β ladder)trans-79-48.7177.9-62.8163.5000110.7L275 L296 R298 E307L275-I309 HydrophobicContact CD2-CD1 3.87Å; L296-I309 HydrophobicContact CD2-CB 4.35Å; L296-I309 HydrophobicContact CD2-CD1 4.15Å; L296-I309 HydrophobicContact CD2-CG2 4.4Å; L296-I309 HydrophobicContact CG-CB 4.34Å; L296-I309 HydrophobicContact CG-CD1 4.08Å; L296-I309 PolarHBondContact O-N 2.83Å; R298-I309 HydrophobicContact CB-CD1 3.76Å; R298-I309 HydrophobicContact CB-CG1 4.04Å; E307-I309 PolarHBondContact O-N 3.38Å
310L92.7Very high90.5Very high49 Ų4963.6 Ų63.626%0.25734%0.341SS..EExtended strand (participates in β ladder)trans-149.9138.2-172.8178.964.7000109.9T295 L296 R312 K347 L348T295-L310 CarbonylContact C-O 3.51Å; T295-L310 WeakPolarHBondContact CA-O 3.38Å; L296-L310 HydrophobicContact CB-CB 4.49Å; L296-L310 PolarHBondContact N-O 2.71Å; L296-L310 PolarHBondContact O-N 2.75Å; L310-R312 HydrophobicContact CD1-CG 4.33Å; L310-R312 HydrophobicContact CG-CG 4.38Å; L310-K347 WeakPolarHBondContact CD2-O 3.29Å; L310-L348 HydrophobicContact CB-CD1 4.34Å; L310-L348 HydrophobicContact CD2-CB 4.14Å; L310-L348 HydrophobicContact CD2-CD1 4.22Å; L310-L348 HydrophobicContact CD2-CG 4.11Å; L310-L348 HydrophobicContact CG-CD1 4.09Å; L310-L348 WeakPolarHBondContact O-CD1 3.34Å
311S91.5Very high90.6Very high43 Ų4362.9 Ų62.930%0.30134%0.339SS..EExtended strand (participates in β ladder)trans-127.3139.9166.7-171.60000111.5M247 L294 T295M247-S311 WeakPolarHBondContact CE-OG 3.41Å; M247-S311 PolarHBondContact SD-OG 3.19Å; M247-S311 VanDerWaalsContact SD-OG 3.39Å; L294-S311 CarbonylContact O-C 3.53Å; L294-S311 WeakPolarHBondContact O-CA 3.35Å; L294-S311 PolarHBondContact O-OG 3.42Å; L294-S311 VanDerWaalsContact O-OG 3.13Å; T295-S311 PolarHBondContact OG1-OG 2.93Å
312R91.7Very high90.9Very high124 Ų12461.4 Ų61.447%0.46833%0.332SS..EExtended strand (participates in β ladder)trans-142147.5176.4-72-165.3177.9-123.2-0.6111.4Y293 L294 L310 K347 L348Y293-R312 CarbonylContact C-O 3.59Å; Y293-R312 WeakPolarHBondContact CA-O 3.25Å; L294-R312 PolarHBondContact N-O 2.87Å; L294-R312 PolarHBondContact O-N 2.79Å; L310-R312 HydrophobicContact CD1-CG 4.33Å; L310-R312 HydrophobicContact CG-CG 4.38Å; R312-K347 VanDerWaalsContact CD-O 3.28Å; R312-K347 WeakPolarHBondContact CD-O 3.17Å; R312-K347 PolarHBondContact NE-O 2.88Å; R312-K347 VanDerWaalsContact NE-O 3.09Å; R312-L348 HydrophobicContact CB-CB 4.06Å; R312-L348 VanDerWaalsContact CD-O 3.28Å; R312-L348 WeakPolarHBondContact CD-O 3.19Å; R312-L348 HydrophobicContact CG-CB 4.2Å
313S90.2Very high91.3Very high62 Ų6251.4 Ų51.443%0.43430%0.296SS..EExtended strand (participates in β ladder)trans-70.8137.1168.1177.50000110.6A291 C292 G315A291-S313 WeakPolarHBondContact CB-OG 3.49Å; C292-S313 CarbonylContact O-C 3.52Å; C292-S313 VanDerWaalsContact O-CA 3.32Å; C292-S313 WeakPolarHBondContact O-CA 3.45Å; C292-S313 PolarHBondContact O-OG 2.86Å; S313-G315 PolarHBondContact OG-N 2.84Å
314C87.1Confident91.7Very high5 Ų546.7 Ų46.73%0.03427%0.271CS..  trans-109.622.4178.2-166.20000112.3C292 L294 I319 I341C292-C314 PolarHBondContact O-N 2.88Å; L294-C314 HydrophobicContact CD1-CB 3.8Å; L294-C314 HydrophobicContact CG-CB 3.8Å; C314-I319 HydrophobicContact CB-CD1 4.45Å; C314-I341 WeakPolarHBondContact O-CD1 3.49Å
315G86.3Confident91.9Very high31 Ų3145.1 Ų45.132%0.3226%0.26SS..  trans103.8-177.7-178.900000113.7A291 C292 S313A291-G315 WeakPolarHBondContact CA-O 3.38Å; C292-G315 PolarHBondContact N-O 2.95Å; S313-G315 PolarHBondContact OG-N 2.84Å
316T88Confident91.8Very high71 Ų7149.8 Ų49.844%0.43628%0.276SS..SBendtrans-108.6-7-170.863.60000114.3K289K289-T316 HydrophobicContact CB-CG2 4.37Å
317E89.4Confident91.5Very high73 Ų7349.9 Ų49.934%0.34128%0.277SS..SBendtrans-79.6135172.1-65.1-169166.600109I319 T335 S339E317-I319 PolarHBondContact O-N 2.83Å; E317-T335 HydrophobicContact CB-CG2 3.86Å; E317-T335 WeakPolarHBondContact OE2-CB 3.49Å; E317-T335 PolarHBondContact OE2-OG1 2.86Å; E317-S339 WeakPolarHBondContact OE2-CB 3.21Å; E317-S339 PolarHBondContact OE2-OG 2.85Å
318V90.9Very high91.5Very high45 Ų4545.1 Ų45.127%0.27326%0.256SS..PPolyproline II helixtrans-67.1125.1-179.9178.50000109.3T335 L336V318-T335 CarbonylContact O-C 3.49Å; V318-T335 WeakPolarHBondContact O-CA 3.23Å; V318-L336 HydrophobicContact CB-CD1 3.81Å; V318-L336 HydrophobicContact CB-CG 4.18Å; V318-L336 HydrophobicContact CG1-CD1 3.75Å; V318-L336 HydrophobicContact CG1-CG 4.23Å; V318-L336 PolarHBondContact O-N 2.88Å
319I94.3Very high91.5Very high4 Ų446.5 Ų46.52%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-72.4129.1178.2-64.9169.5000109.5F260 C279 C292 C314 E317 T321 F333 G334F260-I319 HydrophobicContact CD2-CG2 4.22Å; F260-I319 HydrophobicContact CE2-CG2 3.9Å; C279-I319 WeakPolarHBondContact SG-CD1 3.26Å; C292-I319 HydrophobicContact CB-CD1 3.83Å; C292-I319 HydrophobicContact CB-CG1 4.27Å; C314-I319 HydrophobicContact CB-CD1 4.45Å; E317-I319 PolarHBondContact O-N 2.83Å; I319-T321 WeakPolarHBondContact CG2-O 3.27Å; I319-F333 HydrophobicContact CD1-CB 4.5Å; I319-F333 HydrophobicContact CD1-CD1 3.91Å; I319-F333 HydrophobicContact CD1-CE1 4.38Å; I319-F333 HydrophobicContact CD1-CG 4.23Å; I319-F333 HydrophobicContact CG1-CB 4.48Å; I319-F333 HydrophobicContact CG2-CB 4.21Å; I319-F333 HydrophobicContact CG2-CD1 3.87Å; I319-F333 HydrophobicContact CG2-CG 4.48Å; I319-G334 CarbonylContact C-O 3.42Å; I319-G334 WeakPolarHBondContact CA-O 3.48Å
320S94.3Very high91.6Very high27 Ų2743.1 Ų43.119%0.18923%0.234CC..EExtended strand (participates in β ladder)trans-102.3-24.2179.957.30000113.5F260 G334 T335 V362F260-S320 VanDerWaalsContact CZ-O 3.26Å; F260-S320 WeakPolarHBondContact CZ-O 3.32Å; S320-G334 PolarHBondContact N-O 3.22Å; S320-G334 VanDerWaalsContact OG-C 3.29Å; S320-G334 PolarHBondContact OG-O 2.75Å; S320-G334 VanDerWaalsContact OG-O 3.11Å; S320-T335 PolarHBondContact OG-O 3.07Å; S320-V362 WeakPolarHBondContact CB-O 3.47Å; S320-V362 PolarHBondContact OG-O 3.15Å
321T96.1Very high91.7Very high16 Ų1640.8 Ų40.810%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-157.1156.3-178.8-172.60000111.5I319 F333 G334 V362 V365I319-T321 WeakPolarHBondContact CG2-O 3.27Å; T321-F333 WeakPolarHBondContact O-CA 3.45Å; T321-G334 PolarHBondContact N-O 3.47Å; T321-G334 PolarHBondContact O-N 3.35Å; T321-G334 VanDerWaalsContact O-N 3.07Å; T321-V362 HydrophobicContact CG2-CB 4.43Å; T321-V362 HydrophobicContact CG2-CG1 4.01Å; T321-V365 HydrophobicContact CG2-CB 4.35Å; T321-V365 HydrophobicContact CG2-CG1 3.86Å; T321-V365 HydrophobicContact CG2-CG2 3.86Å
322M96.5Very high91.9Very high6 Ų638.7 Ų38.73%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-144.4135.8-177.1-177.6174.885.700111.3F260 R262 V277 C279 G332 F333F260-M322 HydrophobicContact CB-CB 4.11Å; F260-M322 HydrophobicContact CB-CE 3.49Å; F260-M322 VanDerWaalsContact CB-CE 3.49Å; F260-M322 HydrophobicContact CB-SD 3.97Å; F260-M322 HydrophobicContact CD2-CB 4.09Å; F260-M322 HydrophobicContact CG-CB 4.01Å; R262-M322 HydrophobicContact CB-CE 3.89Å; R262-M322 HydrophobicContact CG-CE 3.26Å; V277-M322 HydrophobicContact CG1-CE 4.43Å; C279-M322 HydrophobicContact CB-SD 3.89Å; M322-G332 WeakPolarHBondContact CA-O 3.16Å; M322-F333 HydrophobicContact CB-CD1 4.03Å; M322-F333 HydrophobicContact CB-CE1 4.17Å; M322-F333 HydrophobicContact CG-CD1 3.81Å; M322-F333 HydrophobicContact CG-CE1 3.49Å; M322-F333 VanDerWaalsContact CG-CE1 3.49Å; M322-F333 HydrophobicContact CG-CZ 4.34Å; M322-F333 HydrophobicContact SD-CD1 4.23Å; M322-F333 HydrophobicContact SD-CE1 3.42Å; M322-F333 WeakPolarHBondContact SD-CE1 3.2Å; M322-F333 HydrophobicContact SD-CZ 4.2Å
323A96.4Very high92.1Very high5 Ų532.8 Ų32.84%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-130.1155.717000000111.5G332 V365 F367A323-G332 PolarHBondContact N-O 3.25Å; A323-G332 PolarHBondContact O-N 2.92Å; A323-V365 HydrophobicContact CB-CG2 3.86Å; A323-V365 WeakPolarHBondContact CB-O 3.47Å; A323-F367 HydrophobicContact CB-CD2 4.07Å; A323-F367 HydrophobicContact CB-CE2 4.17Å
324V95.3Very high92.4Very high29 Ų2929.9 Ų29.918%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-116.6132.4174-173.40000107.7R262 L264 L331R262-V324 HydrophobicContact CB-CG2 3.44Å; R262-V324 VanDerWaalsContact CB-CG2 3.44Å; R262-V324 HydrophobicContact CG-CG2 3.72Å; L264-V324 HydrophobicContact CD2-CG1 3.84Å; L264-V324 HydrophobicContact CD2-CG2 4.49Å; V324-L331 HydrophobicContact CB-CD2 4.2Å; V324-L331 HydrophobicContact CG1-CD2 4Å; V324-L331 HydrophobicContact CG2-CD2 3.63Å
325S92.4Very high92.8Very high3 Ų329.6 Ų29.62%0.02116%0.163CC..  trans-60.4149.117355.90000111.3C327 S328 K329 Y330 F367S325-C327 PolarHBondContact O-N 3.36Å; S325-C327 VanDerWaalsContact O-N 3.08Å; S325-S328 WeakPolarHBondContact O-CA 3.12Å; S325-S328 PolarHBondContact O-N 2.82Å; S325-K329 PolarHBondContact OG-N 3.09Å; S325-Y330 PolarHBondContact N-O 3.09Å; S325-Y330 PolarHBondContact OG-N 3.36Å; S325-Y330 PolarHBondContact OG-O 3.39Å; S325-F367 VanDerWaalsContact N-CD2 3.33Å
326K87.6Confident93.2Very high134 Ų13431.8 Ų31.858%0.58317%0.166SC*.THydrogen-bonded Turntrans-54.9-31.9179.5-67.6-174179.9176.90113.6G17 S328 P369G17-K326 PolarHBondContact O-NZ 3.46Å; K326-S328 VanDerWaalsContact C-N 3.29Å; K326-S328 PolarHBondContact O-N 2.85Å; K326-P369 HydrophobicContact CD-CG 4.33Å
327C86.2Confident93.4Very high37 Ų3730 Ų3025%0.2516%0.163CC..THydrogen-bonded Turntrans-82.1-2176.162.30000114.3S325 K329S325-C327 PolarHBondContact O-N 3.36Å; S325-C327 VanDerWaalsContact O-N 3.08Å; C327-K329 HydrophobicContact CB-CG 4.5Å; C327-K329 PolarHBondContact O-N 2.93Å
328S91.6Very high93.7Very high13 Ų1326.6 Ų26.69%0.09115%0.146CC..SBendtrans58.211.6-177.1-59.30000116F265 S325 K326 T345F265-S328 WeakPolarHBondContact CA-OG 3.32Å; F265-S328 PolarHBondContact N-OG 3.08Å; F265-S328 PolarHBondContact O-OG 2.78Å; S325-S328 WeakPolarHBondContact O-CA 3.12Å; S325-S328 PolarHBondContact O-N 2.82Å; K326-S328 VanDerWaalsContact C-N 3.29Å; K326-S328 PolarHBondContact O-N 2.85Å; S328-T345 WeakPolarHBondContact O-CB 3.39Å; S328-T345 WeakPolarHBondContact O-CG2 3.28Å; S328-T345 PolarHBondContact O-OG1 2.81Å
329K90.9Very high93.9Very high103 Ų10324.4 Ų24.445%0.44813%0.133SC..SBendtrans-83.2-22.1179.3-68.4175.1-177.3170.90112.9E267 S325 C327 T345E267-K329 IonicContact OE2-NZ 3.65Å; E267-K329 PolarHBondContact OE2-NZ 2.97Å; S325-K329 PolarHBondContact OG-N 3.09Å; C327-K329 HydrophobicContact CB-CG 4.5Å; C327-K329 PolarHBondContact O-N 2.93Å; K329-T345 PolarHBondContact O-N 2.87Å; K329-T345 PolarHBondContact O-OG1 2.7Å
330Y93.8Very high94Very high25 Ų2524.2 Ų24.210%0.09813%0.133CC..EExtended strand (participates in β ladder)trans-130.1146-177.2-48.8-76.4000113S325 V343 T345 L351 V388S325-Y330 PolarHBondContact N-O 3.09Å; S325-Y330 PolarHBondContact OG-N 3.36Å; S325-Y330 PolarHBondContact OG-O 3.39Å; Y330-V343 CarbonylContact C-O 3.55Å; Y330-V343 WeakPolarHBondContact CA-O 3.38Å; Y330-T345 PolarHBondContact N-OG1 2.88Å; Y330-L351 HydrophobicContact CD1-CD1 3.8Å; Y330-L351 HydrophobicContact CE1-CD1 3.82Å; Y330-V388 HydrophobicContact CD1-CG2 4.18Å; Y330-V388 HydrophobicContact CD2-CG1 4.09Å; Y330-V388 HydrophobicContact CD2-CG2 3.74Å; Y330-V388 HydrophobicContact CE1-CG2 3.85Å; Y330-V388 HydrophobicContact CE2-CG2 3.36Å; Y330-V388 HydrophobicContact CG-CG1 4.14Å; Y330-V388 HydrophobicContact CG-CG2 4.12Å; Y330-V388 VanDerWaalsContact CZ-CG2 3.41Å
331L96Very high94.1Very high0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-117.9135.5172.1-54.2171.3000109.3L264 V277 L294 V324 F333 V343 T345 L348L264-L331 HydrophobicContact CD2-CD2 4.46Å; V277-L331 HydrophobicContact CG1-CD1 4.28Å; V277-L331 HydrophobicContact CG1-CD2 3.85Å; V277-L331 HydrophobicContact CG2-CD1 3.8Å; L294-L331 HydrophobicContact CD1-CD1 4.46Å; V324-L331 HydrophobicContact CB-CD2 4.2Å; V324-L331 HydrophobicContact CG1-CD2 4Å; V324-L331 HydrophobicContact CG2-CD2 3.63Å; L331-F333 HydrophobicContact CB-CE2 3.62Å; L331-F333 HydrophobicContact CB-CZ 3.65Å; L331-F333 HydrophobicContact CD1-CZ 4.05Å; L331-F333 HydrophobicContact CG-CZ 4.45Å; L331-V343 HydrophobicContact CB-CB 4.26Å; L331-V343 PolarHBondContact N-O 2.83Å; L331-V343 PolarHBondContact O-N 3.29Å; L331-T345 HydrophobicContact CD1-CG2 4.36Å; L331-T345 HydrophobicContact CD2-CG2 4.4Å; L331-T345 HydrophobicContact CG-CG2 4.36Å; L331-L348 HydrophobicContact CD1-CD2 4.04Å
332G96.1Very high94Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-118.1133.1178.800000109.5M322 A323M322-G332 WeakPolarHBondContact CA-O 3.16Å; A323-G332 PolarHBondContact N-O 3.25Å; A323-G332 PolarHBondContact O-N 2.92Å
333F95.6Very high94Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-125.8141.2-179.7-53.4-83.7000110.5L294 I319 T321 M322 L331 L340 I341 V343L294-F333 HydrophobicContact CD1-CE1 4.44Å; L294-F333 HydrophobicContact CD1-CE2 3.73Å; L294-F333 HydrophobicContact CD1-CZ 3.49Å; L294-F333 VanDerWaalsContact CD1-CZ 3.49Å; L294-F333 HydrophobicContact CD2-CE1 3.52Å; L294-F333 HydrophobicContact CD2-CE2 4.32Å; L294-F333 HydrophobicContact CD2-CZ 3.34Å; L294-F333 HydrophobicContact CG-CZ 4.04Å; I319-F333 HydrophobicContact CD1-CB 4.5Å; I319-F333 HydrophobicContact CD1-CD1 3.91Å; I319-F333 HydrophobicContact CD1-CE1 4.38Å; I319-F333 HydrophobicContact CD1-CG 4.23Å; I319-F333 HydrophobicContact CG1-CB 4.48Å; I319-F333 HydrophobicContact CG2-CB 4.21Å; I319-F333 HydrophobicContact CG2-CD1 3.87Å; I319-F333 HydrophobicContact CG2-CG 4.48Å; T321-F333 WeakPolarHBondContact O-CA 3.45Å; M322-F333 HydrophobicContact CB-CD1 4.03Å; M322-F333 HydrophobicContact CB-CE1 4.17Å; M322-F333 HydrophobicContact CG-CD1 3.81Å; M322-F333 HydrophobicContact CG-CE1 3.49Å; M322-F333 VanDerWaalsContact CG-CE1 3.49Å; M322-F333 HydrophobicContact CG-CZ 4.34Å; M322-F333 HydrophobicContact SD-CD1 4.23Å; M322-F333 HydrophobicContact SD-CE1 3.42Å; M322-F333 WeakPolarHBondContact SD-CE1 3.2Å; M322-F333 HydrophobicContact SD-CZ 4.2Å; L331-F333 HydrophobicContact CB-CE2 3.62Å; L331-F333 HydrophobicContact CB-CZ 3.65Å; L331-F333 HydrophobicContact CD1-CZ 4.05Å; L331-F333 HydrophobicContact CG-CZ 4.45Å; F333-L340 CarbonylContact O-C 3.55Å; F333-L340 VanDerWaalsContact O-CA 3.27Å; F333-L340 WeakPolarHBondContact O-CA 3.27Å; F333-I341 HydrophobicContact CB-CB 4.23Å; F333-I341 HydrophobicContact CD2-CB 4.28Å; F333-I341 WeakPolarHBondContact CD2-O 3.41Å; F333-I341 PolarHBondContact N-O 3.16Å; F333-I341 PolarHBondContact O-N 2.7Å; F333-V343 HydrophobicContact CD2-CG2 3.93Å; F333-V343 HydrophobicContact CE2-CB 3.87Å; F333-V343 HydrophobicContact CE2-CG2 3.5Å
334G96.5Very high93.8Very high0 Ų025.2 Ų25.20%013%0.132CC..EExtended strand (participates in β ladder)trans-104.4146.916200000110.5I319 S320 T321I319-G334 CarbonylContact C-O 3.42Å; I319-G334 WeakPolarHBondContact CA-O 3.48Å; S320-G334 PolarHBondContact N-O 3.22Å; S320-G334 VanDerWaalsContact OG-C 3.29Å; S320-G334 PolarHBondContact OG-O 2.75Å; S320-G334 VanDerWaalsContact OG-O 3.11Å; T321-G334 PolarHBondContact N-O 3.47Å; T321-G334 PolarHBondContact O-N 3.35Å; T321-G334 VanDerWaalsContact O-N 3.07Å
335T95.6Very high93.7Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-110.3160.3178.777.60000112.1E317 V318 S320 G337 G338 S339 I341 V362E317-T335 HydrophobicContact CB-CG2 3.86Å; E317-T335 WeakPolarHBondContact OE2-CB 3.49Å; E317-T335 PolarHBondContact OE2-OG1 2.86Å; V318-T335 CarbonylContact O-C 3.49Å; V318-T335 WeakPolarHBondContact O-CA 3.23Å; S320-T335 PolarHBondContact OG-O 3.07Å; T335-G337 PolarHBondContact O-N 3.2Å; T335-G337 PolarHBondContact OG1-N 2.84Å; T335-G338 PolarHBondContact O-N 2.93Å; T335-G338 VanDerWaalsContact O-N 3.12Å; T335-G338 PolarHBondContact OG1-N 2.9Å; T335-S339 PolarHBondContact N-O 2.86Å; T335-S339 WeakPolarHBondContact OG1-CB 3.16Å; T335-S339 PolarHBondContact OG1-N 2.93Å; T335-S339 PolarHBondContact OG1-O 2.57Å; T335-I341 HydrophobicContact CG2-CD1 3.96Å; T335-I341 HydrophobicContact CG2-CG1 4.24Å; T335-V362 PolarHBondContact O-N 3.24Å
336L93.1Very high93.6Very high76 Ų7626.7 Ų26.740%0.39815%0.152SC..THydrogen-bonded Turntrans-62.4-21.9169.6-71.8-176.3000112.9V318 G338 F361V318-L336 HydrophobicContact CB-CD1 3.81Å; V318-L336 HydrophobicContact CB-CG 4.18Å; V318-L336 HydrophobicContact CG1-CD1 3.75Å; V318-L336 HydrophobicContact CG1-CG 4.23Å; V318-L336 PolarHBondContact O-N 2.88Å; L336-G338 VanDerWaalsContact C-N 3.29Å; L336-F361 HydrophobicContact CB-CB 4.4Å; L336-F361 HydrophobicContact CD2-CB 3.74Å; L336-F361 HydrophobicContact CD2-CG 4.24Å; L336-F361 WeakPolarHBondContact O-CA 3.36Å; L336-F361 WeakPolarHBondContact O-CB 3.49Å
337G92.7Very high93.8Very high35 Ų3526.4 Ų26.436%0.36115%0.151SC..THydrogen-bonded Turntrans-82.8-0.2175.800000114.4T335 S339T335-G337 PolarHBondContact O-N 3.2Å; T335-G337 PolarHBondContact OG1-N 2.84Å; G337-S339 VanDerWaalsContact C-N 3.35Å
338G95.1Very high94.2Very high0 Ų024.9 Ų24.90%014%0.141CC..SBendtrans80.614.7-177.400000114T335 L336 Q356 V357 H358 I360T335-G338 PolarHBondContact O-N 2.93Å; T335-G338 VanDerWaalsContact O-N 3.12Å; T335-G338 PolarHBondContact OG1-N 2.9Å; L336-G338 VanDerWaalsContact C-N 3.29Å; G338-Q356 CarbonylContact O-C 3.59Å; G338-V357 WeakPolarHBondContact O-CG2 3.35Å; G338-V357 PolarHBondContact O-N 2.81Å; G338-H358 PolarHBondContact O-N 3.22Å; G338-I360 WeakPolarHBondContact CA-O 3.48Å
339S96.3Very high94.2Very high0 Ų031.8 Ų31.80%017%0.165CC..  trans-91.9157.5175.2-52.80000111.4E317 T335 G337 W354 K355 Q356E317-S339 WeakPolarHBondContact OE2-CB 3.21Å; E317-S339 PolarHBondContact OE2-OG 2.85Å; T335-S339 PolarHBondContact N-O 2.86Å; T335-S339 WeakPolarHBondContact OG1-CB 3.16Å; T335-S339 PolarHBondContact OG1-N 2.93Å; T335-S339 PolarHBondContact OG1-O 2.57Å; G337-S339 VanDerWaalsContact C-N 3.35Å; S339-W354 CarbonylContact C-O 3.58Å; S339-W354 VanDerWaalsContact CA-O 3.27Å; S339-W354 WeakPolarHBondContact CA-O 3.47Å; S339-W354 WeakPolarHBondContact CB-O 3.5Å; S339-K355 WeakPolarHBondContact OG-CA 3.47Å; S339-Q356 PolarHBondContact OG-N 2.76Å; S339-Q356 VanDerWaalsContact OG-N 3.12Å
340L96.5Very high94.3Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-116.1141.7170.4-64.4172.4000110.6F333 T353 W354 V357 V362 V365 L390 S392 H402F333-L340 CarbonylContact O-C 3.55Å; F333-L340 VanDerWaalsContact O-CA 3.27Å; F333-L340 WeakPolarHBondContact O-CA 3.27Å; L340-T353 CarbonylContact O-C 3.58Å; L340-T353 WeakPolarHBondContact O-CA 3.41Å; L340-W354 HydrophobicContact CB-CB 4.38Å; L340-W354 HydrophobicContact CB-CE3 3.8Å; L340-W354 PolarHBondContact N-O 3.18Å; L340-W354 PolarHBondContact O-N 3.03Å; L340-V357 HydrophobicContact CB-CG2 4.39Å; L340-V357 HydrophobicContact CD1-CG2 3.74Å; L340-V357 HydrophobicContact CG-CG2 3.6Å; L340-V362 HydrophobicContact CD2-CG1 3.95Å; L340-V362 HydrophobicContact CD2-CG2 4.07Å; L340-V365 HydrophobicContact CD2-CG1 3.6Å; L340-L390 HydrophobicContact CB-CD2 4.38Å; L340-L390 HydrophobicContact CD1-CD2 4.22Å; L340-L390 HydrophobicContact CD2-CD2 4.33Å; L340-S392 WeakPolarHBondContact CD1-OG 3.15Å; L340-H402 WeakPolarHBondContact CD1-CD2 3.4Å; L340-H402 WeakPolarHBondContact CD1-NE2 3.39Å
341I95.6Very high94.2Very high10 Ų1031.2 Ų31.25%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-127.5126.8178.6-49177.9000108.3C314 F333 T335 V343 T350 T353C314-I341 WeakPolarHBondContact O-CD1 3.49Å; F333-I341 HydrophobicContact CB-CB 4.23Å; F333-I341 HydrophobicContact CD2-CB 4.28Å; F333-I341 WeakPolarHBondContact CD2-O 3.41Å; F333-I341 PolarHBondContact N-O 3.16Å; F333-I341 PolarHBondContact O-N 2.7Å; T335-I341 HydrophobicContact CG2-CD1 3.96Å; T335-I341 HydrophobicContact CG2-CG1 4.24Å; I341-V343 HydrophobicContact CG2-CG2 3.98Å; I341-T350 HydrophobicContact CG2-CG2 3.59Å; I341-T353 HydrophobicContact CG1-CG2 4.17Å
342L95.4Very high94Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-107.1130.1173.8-176.566000109.4L351 T352 W354 F367 V388 M404L342-L351 HydrophobicContact CG-CD1 4.44Å; L342-L351 PolarHBondContact O-N 3.49Å; L342-T352 PolarHBondContact N-O 2.93Å; L342-T352 PolarHBondContact O-N 2.79Å; L342-W354 HydrophobicContact CB-CH2 4.18Å; L342-W354 HydrophobicContact CB-CZ3 3.85Å; L342-W354 HydrophobicContact CD2-CH2 4.07Å; L342-F367 HydrophobicContact CD1-CE1 3.69Å; L342-F367 HydrophobicContact CD1-CZ 3.77Å; L342-V388 HydrophobicContact CD1-CG1 4.1Å; L342-V388 HydrophobicContact CD2-CB 4.36Å; L342-V388 HydrophobicContact CD2-CG1 4.11Å; L342-M404 HydrophobicContact CD2-CB 4.01Å; L342-M404 HydrophobicContact CD2-CE 3.99Å; L342-M404 HydrophobicContact CD2-CG 4.35Å; L342-M404 HydrophobicContact CD2-SD 3.49Å; L342-M404 WeakPolarHBondContact CD2-SD 3.3Å
343V95Very high93.9Very high0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-129.8141-174.7176.60000109.9L294 Y330 L331 F333 I341 R349L294-V343 HydrophobicContact CD1-CB 4.47Å; L294-V343 HydrophobicContact CD1-CG1 3.96Å; L294-V343 HydrophobicContact CD1-CG2 4.19Å; Y330-V343 CarbonylContact C-O 3.55Å; Y330-V343 WeakPolarHBondContact CA-O 3.38Å; L331-V343 HydrophobicContact CB-CB 4.26Å; L331-V343 PolarHBondContact N-O 2.83Å; L331-V343 PolarHBondContact O-N 3.29Å; F333-V343 HydrophobicContact CD2-CG2 3.93Å; F333-V343 HydrophobicContact CE2-CB 3.87Å; F333-V343 HydrophobicContact CE2-CG2 3.5Å; I341-V343 HydrophobicContact CG2-CG2 3.98Å; V343-R349 CarbonylContact C-O 3.56Å; V343-R349 WeakPolarHBondContact CA-O 3.39Å; V343-R349 WeakPolarHBondContact CG1-O 3.26Å
344E93.7Very high93.9Very high65 Ų6539.1 Ų39.130%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-77.9121.8167.6-178.2-174.8-160.800109.7G346 L348 R349 L351E344-G346 PolarHBondContact O-N 3.43Å; E344-L348 WeakPolarHBondContact O-CA 3.14Å; E344-L348 PolarHBondContact O-N 2.94Å; E344-R349 PolarHBondContact N-O 3.41Å; E344-R349 PolarHBondContact O-N 2.92Å; E344-L351 HydrophobicContact CB-CD1 4.13Å; E344-L351 HydrophobicContact CB-CD2 4.08Å; E344-L351 HydrophobicContact CB-CG 4.1Å
345T93.2Very high93.8Very high5 Ų546.9 Ų46.93%0.03125%0.246CC..THydrogen-bonded Turntrans-62-44.9-175-50.10000112.5L264 S328 K329 Y330 L331 K347 L348L264-T345 HydrophobicContact CD1-CG2 3.38Å; L264-T345 HydrophobicContact CD2-CG2 3.79Å; L264-T345 HydrophobicContact CG-CG2 4.23Å; S328-T345 WeakPolarHBondContact O-CB 3.39Å; S328-T345 WeakPolarHBondContact O-CG2 3.28Å; S328-T345 PolarHBondContact O-OG1 2.81Å; K329-T345 PolarHBondContact O-N 2.87Å; K329-T345 PolarHBondContact O-OG1 2.7Å; Y330-T345 PolarHBondContact N-OG1 2.88Å; L331-T345 HydrophobicContact CD1-CG2 4.36Å; L331-T345 HydrophobicContact CD2-CG2 4.4Å; L331-T345 HydrophobicContact CG-CG2 4.36Å; T345-K347 VanDerWaalsContact C-N 3.31Å; T345-K347 PolarHBondContact O-N 3.02Å; T345-L348 WeakPolarHBondContact O-CD2 2.82Å; T345-L348 PolarHBondContact O-N 3.49Å
346G89.7Confident93.6Very high57 Ų5754.3 Ų54.359%0.58828%0.28SS*.THydrogen-bonded Turntrans-64.4-32-171.700000114.3E344E344-G346 PolarHBondContact O-N 3.43Å
347K91.7Very high93.7Very high129 Ų12952 Ų5256%0.56127%0.269SS*.THydrogen-bonded Turntrans-112.1-0.2179.6-67.9177.9-177.8170.30113.4L310 R312 T345 R349L310-K347 WeakPolarHBondContact CD2-O 3.29Å; R312-K347 VanDerWaalsContact CD-O 3.28Å; R312-K347 WeakPolarHBondContact CD-O 3.17Å; R312-K347 PolarHBondContact NE-O 2.88Å; R312-K347 VanDerWaalsContact NE-O 3.09Å; T345-K347 VanDerWaalsContact C-N 3.31Å; T345-K347 PolarHBondContact O-N 3.02Å; K347-R349 HydrophobicContact CB-CB 4.23Å; K347-R349 PolarHBondContact O-N 2.58Å; K347-R349 VanDerWaalsContact O-N 3.1Å
348L93.7Very high93.9Very high4 Ų450.4 Ų50.42%0.02125%0.253CS..THydrogen-bonded Turntrans45.437.1-169.8-59.7179000112.7V277 L294 L296 L310 R312 L331 E344 T345V277-L348 HydrophobicContact CG2-CD2 4.11Å; L294-L348 HydrophobicContact CB-CD1 4.08Å; L294-L348 HydrophobicContact CB-CD2 4.13Å; L294-L348 HydrophobicContact CD1-CD2 4.49Å; L294-L348 WeakPolarHBondContact O-CD1 3.1Å; L296-L348 HydrophobicContact CB-CD1 4.05Å; L310-L348 HydrophobicContact CB-CD1 4.34Å; L310-L348 HydrophobicContact CD2-CB 4.14Å; L310-L348 HydrophobicContact CD2-CD1 4.22Å; L310-L348 HydrophobicContact CD2-CG 4.11Å; L310-L348 HydrophobicContact CG-CD1 4.09Å; L310-L348 WeakPolarHBondContact O-CD1 3.34Å; R312-L348 HydrophobicContact CB-CB 4.06Å; R312-L348 VanDerWaalsContact CD-O 3.28Å; R312-L348 WeakPolarHBondContact CD-O 3.19Å; R312-L348 HydrophobicContact CG-CB 4.2Å; L331-L348 HydrophobicContact CD1-CD2 4.04Å; E344-L348 WeakPolarHBondContact O-CA 3.14Å; E344-L348 PolarHBondContact O-N 2.94Å; T345-L348 WeakPolarHBondContact O-CD2 2.82Å; T345-L348 PolarHBondContact O-N 3.49Å
349R92.9Very high93.8Very high159 Ų15955.5 Ų55.560%0.629%0.288SS*.EExtended strand (participates in β ladder)trans-97126.6-177178.2-178.9173.6176.9-0.2109.7V343 E344 K347 L351V343-R349 CarbonylContact C-O 3.56Å; V343-R349 WeakPolarHBondContact CA-O 3.39Å; V343-R349 WeakPolarHBondContact CG1-O 3.26Å; E344-R349 PolarHBondContact N-O 3.41Å; E344-R349 PolarHBondContact O-N 2.92Å; K347-R349 HydrophobicContact CB-CB 4.23Å; K347-R349 PolarHBondContact O-N 2.58Å; K347-R349 VanDerWaalsContact O-N 3.1Å; R349-L351 PolarHBondContact O-N 3.48Å
350T92.9Very high93.7Very high51 Ų5158.8 Ų58.831%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-61.5120169.2-52.20000110.4I341I341-T350 HydrophobicContact CG2-CG2 3.59Å
351L91.8Very high93.7Very high64 Ų6463.1 Ų63.134%0.33532%0.324SS..EExtended strand (participates in β ladder)trans-86.2-48.6176.6-64.3178.9000110.5Y330 L342 E344 R349 M404Y330-L351 HydrophobicContact CD1-CD1 3.8Å; Y330-L351 HydrophobicContact CE1-CD1 3.82Å; L342-L351 HydrophobicContact CG-CD1 4.44Å; L342-L351 PolarHBondContact O-N 3.49Å; E344-L351 HydrophobicContact CB-CD1 4.13Å; E344-L351 HydrophobicContact CB-CD2 4.08Å; E344-L351 HydrophobicContact CB-CG 4.1Å; R349-L351 PolarHBondContact O-N 3.48Å; L351-M404 HydrophobicContact CB-SD 4.06Å; L351-M404 HydrophobicContact CD1-CE 4.08Å; L351-M404 HydrophobicContact CD1-SD 4.21Å
352T92Very high93.8Very high48 Ų4862.6 Ų62.629%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-150.3153-178.5-1180000111.1L342 W354L342-T352 PolarHBondContact N-O 2.93Å; L342-T352 PolarHBondContact O-N 2.79Å; T352-W354 HydrophobicContact CG2-CD2 3.55Å; T352-W354 HydrophobicContact CG2-CE3 3.66Å; T352-W354 HydrophobicContact CG2-CG 4.36Å; T352-W354 HydrophobicContact CG2-CH2 3.48Å; T352-W354 VanDerWaalsContact CG2-CH2 3.48Å; T352-W354 HydrophobicContact CG2-CZ2 3.33Å; T352-W354 HydrophobicContact CG2-CZ3 3.64Å
353T93.8Very high93.8Very high63 Ų6363.8 Ų63.839%0.38733%0.329SS..EExtended strand (participates in β ladder)trans-132.4117.7173.8-59.70000109L340 I341 K355L340-T353 CarbonylContact O-C 3.58Å; L340-T353 WeakPolarHBondContact O-CA 3.41Å; I341-T353 HydrophobicContact CG1-CG2 4.17Å; T353-K355 HydrophobicContact CG2-CG 4.1Å
354W94.9Very high93.9Very high55 Ų5564.5 Ų64.521%0.20833%0.334CS..EExtended strand (participates in β ladder)trans-95106171.1-58-83.7000108.5S339 L340 L342 T352 V357 L390 H402 M404S339-W354 CarbonylContact C-O 3.58Å; S339-W354 VanDerWaalsContact CA-O 3.27Å; S339-W354 WeakPolarHBondContact CA-O 3.47Å; S339-W354 WeakPolarHBondContact CB-O 3.5Å; L340-W354 HydrophobicContact CB-CB 4.38Å; L340-W354 HydrophobicContact CB-CE3 3.8Å; L340-W354 PolarHBondContact N-O 3.18Å; L340-W354 PolarHBondContact O-N 3.03Å; L342-W354 HydrophobicContact CB-CH2 4.18Å; L342-W354 HydrophobicContact CB-CZ3 3.85Å; L342-W354 HydrophobicContact CD2-CH2 4.07Å; T352-W354 HydrophobicContact CG2-CD2 3.55Å; T352-W354 HydrophobicContact CG2-CE3 3.66Å; T352-W354 HydrophobicContact CG2-CG 4.36Å; T352-W354 HydrophobicContact CG2-CH2 3.48Å; T352-W354 VanDerWaalsContact CG2-CH2 3.48Å; T352-W354 HydrophobicContact CG2-CZ2 3.33Å; T352-W354 HydrophobicContact CG2-CZ3 3.64Å; W354-V357 HydrophobicContact CB-CG1 3.48Å; W354-V357 VanDerWaalsContact CB-CG1 3.48Å; W354-V357 HydrophobicContact CG-CG1 4.49Å; W354-L390 HydrophobicContact CZ3-CD2 4.26Å; W354-H402 AromaticContact CD1-ND1 3.99Å; W354-H402 HydrophobicContact CD2-CB 4.16Å; W354-H402 HydrophobicContact CE3-CB 4.28Å; W354-H402 AromaticContact CG-ND1 3.86Å; W354-H402 HydrophobicContact CH2-CB 3.94Å; W354-H402 HydrophobicContact CZ2-CB 3.83Å; W354-H402 HydrophobicContact CZ3-CB 4.16Å; W354-M404 HydrophobicContact CH2-CB 4.41Å; W354-M404 HydrophobicContact CZ2-CB 4.32Å
355K94.3Very high94.1Very high163 Ų16361.5 Ų61.571%0.70932%0.32SS*.THydrogen-bonded Turntrans-78.7138.1-175.8-63.4-172.6-179-179.70111.2S339 T353 V357S339-K355 WeakPolarHBondContact OG-CA 3.47Å; T353-K355 HydrophobicContact CG2-CG 4.1Å; K355-V357 PolarHBondContact O-N 2.99Å; K355-V357 VanDerWaalsContact O-N 3.14Å
356Q92.7Very high94.2Very high156 Ų15662.3 Ų62.373%0.72932%0.324SS*.THydrogen-bonded Turntrans48.543.1170.3-59.9179.9-52.300113.5G338 S339 H358G338-Q356 CarbonylContact O-C 3.59Å; S339-Q356 PolarHBondContact OG-N 2.76Å; S339-Q356 VanDerWaalsContact OG-N 3.12Å; Q356-H358 VanDerWaalsContact C-N 3.26Å
357V94.4Very high94.4Very high27 Ų2759.8 Ų59.816%0.16430%0.297CS..SBendtrans-68.4-32.8175.9-70.50000111.1G338 L340 W354 K355 Q400 H402G338-V357 WeakPolarHBondContact O-CG2 3.35Å; G338-V357 PolarHBondContact O-N 2.81Å; L340-V357 HydrophobicContact CB-CG2 4.39Å; L340-V357 HydrophobicContact CD1-CG2 3.74Å; L340-V357 HydrophobicContact CG-CG2 3.6Å; W354-V357 HydrophobicContact CB-CG1 3.48Å; W354-V357 VanDerWaalsContact CB-CG1 3.48Å; W354-V357 HydrophobicContact CG-CG1 4.49Å; K355-V357 PolarHBondContact O-N 2.99Å; K355-V357 VanDerWaalsContact O-N 3.14Å; V357-Q400 PolarHBondContact O-NE2 2.83Å; V357-H402 WeakPolarHBondContact CG1-CE1 3.48Å
358H96Very high94.2Very high3 Ų354 Ų541%0.01427%0.272CS..SBendtrans-106.1150.3170.6-68.1-73.6000110.4G338 Q356 I360 S392 S394 D396 S398G338-H358 PolarHBondContact O-N 3.22Å; Q356-H358 VanDerWaalsContact C-N 3.26Å; H358-I360 WeakPolarHBondContact CB-O 3.15Å; H358-I360 PolarHBondContact O-N 3.35Å; H358-S392 WeakPolarHBondContact NE2-CB 3.37Å; H358-S392 PolarHBondContact NE2-OG 2.88Å; H358-S394 WeakPolarHBondContact ND1-CB 3.25Å; H358-D396 WeakPolarHBondContact CA-OD2 3.15Å; H358-D396 IonicContact CG-OD2 3.49Å; H358-D396 IonicContact ND1-OD1 3.55Å; H358-D396 PolarHBondContact ND1-OD1 2.86Å; H358-D396 IonicContact ND1-OD2 3.12Å; H358-S398 PolarHBondContact CE1-O 2.78Å; H358-S398 VanDerWaalsContact CE1-O 3.23Å; H358-S398 PolarHBondContact CE1-OG 2.92Å; H358-S398 VanDerWaalsContact CE1-OG 3.3Å; H358-S398 PolarHBondContact ND1-OG 3.27Å
359S94.1Very high93.5Very high107 Ų10755 Ų5575%0.74828%0.278SS*.SBendtrans-73.9-21.1-179.9-58.40000112.3D396S359-D396 PolarHBondContact N-OD2 2.94Å
360I94.7Very high92.1Very high68 Ų6848 Ų4835%0.34925%0.254SS..SBendtrans-133.7-173.6176.969.4-178.5000109.5G338 H358 S394 A395 D396G338-I360 WeakPolarHBondContact CA-O 3.48Å; H358-I360 WeakPolarHBondContact CB-O 3.15Å; H358-I360 PolarHBondContact O-N 3.35Å; I360-S394 WeakPolarHBondContact CG1-OG 3.47Å; I360-A395 HydrophobicContact CD1-CB 3.79Å; I360-D396 HydrophobicContact CD1-CB 4.26Å; I360-D396 HydrophobicContact CG1-CB 4.13Å
361F95Very high90.6Very high91 Ų9151.6 Ų51.640%0.39927%0.267SS..  trans-55.2141.4-179.362-85.4000113.3L336 T363 S394L336-F361 HydrophobicContact CB-CB 4.4Å; L336-F361 HydrophobicContact CD2-CB 3.74Å; L336-F361 HydrophobicContact CD2-CG 4.24Å; L336-F361 WeakPolarHBondContact O-CA 3.36Å; L336-F361 WeakPolarHBondContact O-CB 3.49Å; F361-T363 HydrophobicContact CD2-CG2 3.96Å; F361-T363 HydrophobicContact CE2-CG2 3.65Å; F361-T363 PolarHBondContact O-N 3.15Å; F361-S394 WeakPolarHBondContact O-CB 3.18Å; F361-S394 PolarHBondContact O-OG 2.91Å
362V97.5Very high88.9Confident0 Ų049.7 Ų49.70%026%0.258CS..EExtended strand (participates in β ladder)trans-72.9125.5172.8-173.40000108.4S320 T321 T335 L340 V365 V393S320-V362 WeakPolarHBondContact CB-O 3.47Å; S320-V362 PolarHBondContact OG-O 3.15Å; T321-V362 HydrophobicContact CG2-CB 4.43Å; T321-V362 HydrophobicContact CG2-CG1 4.01Å; T335-V362 PolarHBondContact O-N 3.24Å; L340-V362 HydrophobicContact CD2-CG1 3.95Å; L340-V362 HydrophobicContact CD2-CG2 4.07Å; V362-V365 HydrophobicContact CG1-CG1 3.61Å; V362-V393 WeakPolarHBondContact CG1-O 3.5Å
363T96.3Very high86.9Confident24 Ų2451 Ų5115%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-88.4-41.3-17651.50000111.4M10 Y11 F361 V393 S394 A395M10-T363 WeakPolarHBondContact O-CB 3.39Å; M10-T363 WeakPolarHBondContact O-CG2 3.19Å; M10-T363 PolarHBondContact O-OG1 2.84Å; Y11-T363 HydrophobicContact CD1-CG2 4.2Å; F361-T363 HydrophobicContact CD2-CG2 3.96Å; F361-T363 HydrophobicContact CE2-CG2 3.65Å; F361-T363 PolarHBondContact O-N 3.15Å; T363-V393 PolarHBondContact N-O 3.29Å; T363-V393 PolarHBondContact OG1-O 2.91Å; T363-V393 VanDerWaalsContact OG1-O 3.06Å; T363-S394 WeakPolarHBondContact OG1-CA 3.49Å; T363-A395 HydrophobicContact CG2-CB 4.24Å
364S96.9Very high84.8Confident16 Ų1655.3 Ų55.311%0.11229%0.293CS..EExtended strand (participates in β ladder)trans-150.4151.3-179.8-167.80000111.3Y11 V13 V393Y11-S364 WeakPolarHBondContact O-CB 3.4Å; V13-S364 PolarHBondContact N-OG 3.19Å; S364-V393 PolarHBondContact O-N 2.89Å
365V97.1Very high82.2Confident2 Ų258.9 Ų58.91%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-137.4148.8175.7-63.70000108.9T321 A323 L340 V362 L390 V391T321-V365 HydrophobicContact CG2-CB 4.35Å; T321-V365 HydrophobicContact CG2-CG1 3.86Å; T321-V365 HydrophobicContact CG2-CG2 3.86Å; A323-V365 HydrophobicContact CB-CG2 3.86Å; A323-V365 WeakPolarHBondContact CB-O 3.47Å; L340-V365 HydrophobicContact CD2-CG1 3.6Å; V362-V365 HydrophobicContact CG1-CG1 3.61Å; V365-L390 HydrophobicContact CB-CD1 4.3Å; V365-V391 CarbonylContact C-O 3.54Å; V365-V391 VanDerWaalsContact CA-O 3.23Å; V365-V391 WeakPolarHBondContact CA-O 3.03Å
366D96Very high79.8Confident22 Ų2252.6 Ų52.612%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-152.3162.1170.9-158.719.7000111.7V13 K14 A15 V391V13-D366 HydrophobicContact CG1-CB 4.38Å; K14-D366 VanDerWaalsContact CA-OD2 3.28Å; K14-D366 WeakPolarHBondContact CA-OD2 3.46Å; K14-D366 HydrophobicContact CD-CB 4.41Å; K14-D366 VanDerWaalsContact CD-OD2 3.29Å; K14-D366 WeakPolarHBondContact CD-OD2 3.43Å; A15-D366 PolarHBondContact N-OD2 3.45Å; D366-V391 PolarHBondContact N-O 3.39Å; D366-V391 PolarHBondContact O-N 2.8Å
367F93.6Very high77.4Confident3 Ų350.3 Ų50.31%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-99.7134.9179.4-74.9-87.9000111.8A15 A323 S325 L342 V388 L390A15-F367 WeakPolarHBondContact CB-O 3.49Å; A323-F367 HydrophobicContact CB-CD2 4.07Å; A323-F367 HydrophobicContact CB-CE2 4.17Å; S325-F367 VanDerWaalsContact N-CD2 3.33Å; L342-F367 HydrophobicContact CD1-CE1 3.69Å; L342-F367 HydrophobicContact CD1-CZ 3.77Å; F367-V388 HydrophobicContact CD1-CG1 3.97Å; F367-V388 HydrophobicContact CE1-CG1 3.66Å; F367-L390 HydrophobicContact CD1-CD1 4.05Å; F367-L390 HydrophobicContact CD2-CD1 4.08Å; F367-L390 HydrophobicContact CE1-CD1 3.83Å; F367-L390 HydrophobicContact CE2-CD1 3.85Å; F367-L390 HydrophobicContact CG-CD1 4.19Å; F367-L390 HydrophobicContact CZ-CD1 3.73Å
368L87.8Confident75Confident9 Ų956 Ų565%0.04732%0.322CS..PPolyproline II helixtrans-74.2150.6158.7-70.9174.7000109.6A15 I21 L43 T370 T389 V391 L401A15-L368 HydrophobicContact CB-CD2 3.92Å; I21-L368 HydrophobicContact CD1-CD1 4.48Å; I21-L368 HydrophobicContact CD1-CD2 4.36Å; I21-L368 HydrophobicContact CG1-CD2 4.04Å; L43-L368 HydrophobicContact CD2-CD1 4.01Å; L368-T370 PolarHBondContact O-N 3.43Å; L368-T389 HydrophobicContact CB-CG2 4.39Å; L368-T389 HydrophobicContact CD1-CG2 3.76Å; L368-T389 HydrophobicContact CG-CG2 4.4Å; L368-T389 PolarHBondContact N-O 2.83Å; L368-V391 HydrophobicContact CD1-CG2 4.44Å; L368-V391 HydrophobicContact CG-CG2 3.94Å; L368-L401 HydrophobicContact CD1-CD2 3.79Å
369P78.1Confident72.5Confident23 Ų2365.8 Ų65.815%0.14936%0.36CS..PPolyproline II helixtrans-58.8129.5176.6-23.535.1000112G17 E18 K326G17-P369 WeakPolarHBondContact O-CD 3.47Å; G17-P369 WeakPolarHBondContact O-CG 3.46Å; E18-P369 HydrophobicContact CG-CG 4.22Å; K326-P369 HydrophobicContact CD-CG 4.33Å
370T64.9Low70.1Confident14 Ų1463.8 Ų63.89%0.08635%0.345CS..SBendtrans-84.1-20.7-179.159.50000113.5L368 N387 V388L368-T370 PolarHBondContact O-N 3.43Å; T370-N387 WeakPolarHBondContact CG2-O 3.5Å; T370-V388 HydrophobicContact CG2-CB 4.43Å; T370-V388 HydrophobicContact CG2-CG1 4.37Å; T370-V388 HydrophobicContact CG2-CG2 4.3Å
371H60.9Low68Low126 Ų12661.7 Ų61.758%0.58333%0.334SS*.SBendtrans-138.686176.7-63.3-68.3000108.1
372P56Low65.7Low23 Ų2358.3 Ų58.315%0.14932%0.321CS..  trans-64.5141.3168.726.8-31.2000109.4E18 P380E18-P372 HydrophobicContact CG-CB 3.86Å; E18-P372 WeakPolarHBondContact OE2-CB 3.24Å; P372-P380 HydrophobicContact CG-CB 3.42Å; P372-P380 VanDerWaalsContact CG-CB 3.42Å; P372-P380 HydrophobicContact CG-CG 3.7Å
373P51Low63.2Low77 Ų7763.3 Ų63.350%0.534%0.343SS..  trans-50.9140.2170.219.6-34000111.7E18 T375 S376E18-P373 WeakPolarHBondContact OE1-CD 3.14Å; E18-P373 WeakPolarHBondContact OE1-CG 3.48Å; P373-T375 PolarHBondContact O-N 3.09Å; P373-S376 PolarHBondContact O-N 3.35Å; P373-S376 VanDerWaalsContact O-N 3.13Å; P373-S376 PolarHBondContact O-OG 2.85Å
374V48.1Very low60.7Low152 Ų15273.8 Ų73.892%0.92138%0.382SS*.THydrogen-bonded Turntrans-57.4-19.1-179.7-177.20000112.7S376V374-S376 VanDerWaalsContact C-N 3.34Å
375T41.4Very low58.7Low130 Ų13074.6 Ų74.680%0.79839%0.392SS*.THydrogen-bonded Turntrans-82.7-0.9-178.854.70000114.5P373 S377P373-T375 PolarHBondContact O-N 3.09Å; T375-S377 PolarHBondContact O-N 3.16Å
376S43.3Very low56.8Low32 Ų3277.3 Ų77.322%0.22441%0.41CS..  trans-70.8122.1168.858.80000109.2E18 P373 V374 F378E18-S376 VanDerWaalsContact OE2-CB 3.23Å; E18-S376 WeakPolarHBondContact OE2-CB 3.44Å; E18-S376 PolarHBondContact OE2-OG 2.9Å; P373-S376 PolarHBondContact O-N 3.35Å; P373-S376 VanDerWaalsContact O-N 3.13Å; P373-S376 PolarHBondContact O-OG 2.85Å; V374-S376 VanDerWaalsContact C-N 3.34Å; S376-F378 PolarHBondContact O-N 3.22Å; S376-F378 PolarHBondContact OG-O 3.18Å
377S43.1Very low55.9Low107 Ų10776.5 Ų76.575%0.74841%0.406SS*.SBendtrans-64.2-4.7176.345.70000113.3T375T375-S377 PolarHBondContact O-N 3.16Å
378F44Very low55.6Low146 Ų14676.5 Ų76.564%0.6441%0.406SS*.SBendtrans-114.3116.6177.3-68-83.7000108.8S376S376-F378 PolarHBondContact O-N 3.22Å; S376-F378 PolarHBondContact OG-O 3.18Å
379Y43Very low55.7Low210 Ų21076.6 Ų76.682%0.82441%0.407SS*.  trans-48.5138.5-177.4-75.9-93.9000112.7L381Y379-L381 PolarHBondContact O-N 2.86Å
380P43.8Very low56.4Low65 Ų6575.5 Ų75.542%0.42240%0.4SS..  trans-48.2129.2173.8-16.715.5000112.1P372 T382P372-P380 HydrophobicContact CG-CB 3.42Å; P372-P380 VanDerWaalsContact CG-CB 3.42Å; P372-P380 HydrophobicContact CG-CG 3.7Å; P380-T382 PolarHBondContact O-N 2.86Å; P380-T382 VanDerWaalsContact O-N 3.08Å
381L50.5Low57.8Low23 Ų2374.9 Ų74.912%0.1240%0.396CS..SBendtrans-65.2-7.3179.3-66.5161.4000114.3E18 H19 L43 Y45 Y379E18-L381 VanDerWaalsContact O-CD1 3.26Å; E18-L381 WeakPolarHBondContact O-CD1 3.39Å; H19-L381 HydrophobicContact CB-CD1 4.18Å; H19-L381 WeakPolarHBondContact ND1-CD1 3.5Å; H19-L381 WeakPolarHBondContact ND1-CD2 3.46Å; H19-L381 WeakPolarHBondContact ND1-CG 3.31Å; L43-L381 HydrophobicContact CB-CD1 4.17Å; L43-L381 HydrophobicContact CB-CD2 4.37Å; L43-L381 HydrophobicContact CD2-CB 4.33Å; L43-L381 HydrophobicContact CD2-CD1 3.63Å; L43-L381 HydrophobicContact CD2-CD2 4.02Å; L43-L381 HydrophobicContact CD2-CG 4.19Å; L43-L381 HydrophobicContact CG-CD1 4.13Å; L43-L381 HydrophobicContact CG-CD2 3.9Å; L43-L381 WeakPolarHBondContact O-CD2 3.48Å; Y45-L381 HydrophobicContact CD2-CB 4.35Å; Y45-L381 HydrophobicContact CD2-CD2 3.35Å; Y45-L381 HydrophobicContact CD2-CG 4.46Å; Y45-L381 HydrophobicContact CE2-CB 3.87Å; Y45-L381 HydrophobicContact CE2-CD2 3.65Å; Y45-L381 HydrophobicContact CE2-CG 4.39Å; Y45-L381 WeakPolarHBondContact CE2-O 3.1Å; Y45-L381 PolarHBondContact OH-O 3.24Å; Y379-L381 PolarHBondContact O-N 2.86Å
382T46.7Very low59.5Low21 Ų2168.9 Ų68.913%0.12937%0.368CS..SBendtrans-94.8106.5179.342.10000108.6P380 Y384 N387P380-T382 PolarHBondContact O-N 2.86Å; P380-T382 VanDerWaalsContact O-N 3.08Å; T382-Y384 PolarHBondContact O-N 2.82Å; T382-N387 HydrophobicContact CG2-CB 3.79Å
383F44.4Very low61.4Low104 Ų10467.8 Ų67.846%0.45636%0.361SS..THydrogen-bonded Turntrans-28.1126.1165.2-74.9-91.3000111.4Y45 G385Y45-F383 HydrophobicContact CE1-CD2 4.28Å; Y45-F383 AromaticContact CE1-CE2 3.55Å; Y45-F383 HydrophobicContact CE1-CE2 3.55Å; Y45-F383 AromaticContact CE1-CZ 3.76Å; Y45-F383 HydrophobicContact CE1-CZ 3.76Å; Y45-F383 AromaticContact CZ-CE2 3.9Å; Y45-F383 WeakPolarHBondContact OH-CE2 3.47Å; F383-G385 VanDerWaalsContact C-N 3.26Å; F383-G385 WeakPolarHBondContact O-CA 3.24Å; F383-G385 PolarHBondContact O-N 2.98Å
384Y45.1Very low63.6Low245 Ų24564.1 Ų64.196%0.96134%0.337SS*.THydrogen-bonded Turntrans1.969.9165.6-67-84000115.1T382T382-Y384 PolarHBondContact O-N 2.82Å
385G53.2Low65.8Low33 Ų3358 Ų5834%0.3430%0.303SS..SBendtrans157.1149.6-171.400000115.1F383 N387F383-G385 VanDerWaalsContact C-N 3.26Å; F383-G385 WeakPolarHBondContact O-CA 3.24Å; F383-G385 PolarHBondContact O-N 2.98Å; G385-N387 VanDerWaalsContact C-N 3.31Å; G385-N387 PolarHBondContact O-N 2.91Å
386P58Low68.3Low58 Ų5853.3 Ų53.338%0.37727%0.273SS..  trans-75.179.317928.6-31.6000111.3K406P386-K406 HydrophobicContact CB-CD 4.09Å; P386-K406 HydrophobicContact CG-CB 4.11Å; P386-K406 HydrophobicContact CG-CD 3.89Å; P386-K406 HydrophobicContact CG-CG 4.33Å; P386-K406 WeakPolarHBondContact O-CB 3.42Å
387N77Confident70.6Confident6 Ų654 Ų543%0.03227%0.274CS..  trans-89148.5-177.5-66.1-5.8000112.4T370 T382 G385 I403 M404 D405T370-N387 WeakPolarHBondContact CG2-O 3.5Å; T382-N387 HydrophobicContact CG2-CB 3.79Å; G385-N387 VanDerWaalsContact C-N 3.31Å; G385-N387 PolarHBondContact O-N 2.91Å; N387-I403 HydrophobicContact CB-CG2 3.87Å; N387-M404 WeakPolarHBondContact CA-O 3.49Å; N387-D405 PolarHBondContact ND2-OD1 2.92Å; N387-D405 WeakPolarHBondContact OD1-CA 3.36Å; N387-D405 PolarHBondContact OD1-OD1 2.82Å
388V87.5Confident73Confident2 Ų249 Ų491%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-102.2119.7172.4-175.50000108.3Y330 L342 F367 T370 M404Y330-V388 HydrophobicContact CD1-CG2 4.18Å; Y330-V388 HydrophobicContact CD2-CG1 4.09Å; Y330-V388 HydrophobicContact CD2-CG2 3.74Å; Y330-V388 HydrophobicContact CE1-CG2 3.85Å; Y330-V388 HydrophobicContact CE2-CG2 3.36Å; Y330-V388 HydrophobicContact CG-CG1 4.14Å; Y330-V388 HydrophobicContact CG-CG2 4.12Å; Y330-V388 VanDerWaalsContact CZ-CG2 3.41Å; L342-V388 HydrophobicContact CD1-CG1 4.1Å; L342-V388 HydrophobicContact CD2-CB 4.36Å; L342-V388 HydrophobicContact CD2-CG1 4.11Å; F367-V388 HydrophobicContact CD1-CG1 3.97Å; F367-V388 HydrophobicContact CE1-CG1 3.66Å; T370-V388 HydrophobicContact CG2-CB 4.43Å; T370-V388 HydrophobicContact CG2-CG1 4.37Å; T370-V388 HydrophobicContact CG2-CG2 4.3Å; V388-M404 HydrophobicContact CB-CE 4.18Å; V388-M404 HydrophobicContact CG2-CE 3.86Å; V388-M404 PolarHBondContact N-O 2.55Å; V388-M404 PolarHBondContact O-N 2.98Å
389T89Confident75.4Confident11 Ų1142.1 Ų42.17%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-114.5121.3-179.4-52.90000110.8L368 L401 H402 I403L368-T389 HydrophobicContact CB-CG2 4.39Å; L368-T389 HydrophobicContact CD1-CG2 3.76Å; L368-T389 HydrophobicContact CG-CG2 4.4Å; L368-T389 PolarHBondContact N-O 2.83Å; T389-L401 HydrophobicContact CG2-CD2 3.92Å; T389-H402 CarbonylContact C-O 3.58Å; T389-H402 WeakPolarHBondContact CA-O 3.21Å; T389-I403 HydrophobicContact CG2-CG1 3.9Å
390L93.4Very high77.8Confident1 Ų132.4 Ų32.41%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-108.6130.7177.1-171.970.9000109.1L340 W354 V365 F367 H402L340-L390 HydrophobicContact CB-CD2 4.38Å; L340-L390 HydrophobicContact CD1-CD2 4.22Å; L340-L390 HydrophobicContact CD2-CD2 4.33Å; W354-L390 HydrophobicContact CZ3-CD2 4.26Å; V365-L390 HydrophobicContact CB-CD1 4.3Å; F367-L390 HydrophobicContact CD1-CD1 4.05Å; F367-L390 HydrophobicContact CD2-CD1 4.08Å; F367-L390 HydrophobicContact CE1-CD1 3.83Å; F367-L390 HydrophobicContact CE2-CD1 3.85Å; F367-L390 HydrophobicContact CG-CD1 4.19Å; F367-L390 HydrophobicContact CZ-CD1 3.73Å; L390-H402 PolarHBondContact N-O 3.28Å; L390-H402 PolarHBondContact O-N 2.92Å
391V94.4Very high80Confident0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-99.5135.5171-159.50000108.3W4 V13 I21 V365 D366 L368 Q400 L401W4-V391 HydrophobicContact CH2-CG1 4.38Å; V13-V391 HydrophobicContact CG2-CB 4.24Å; V13-V391 HydrophobicContact CG2-CG1 3.78Å; I21-V391 HydrophobicContact CD1-CG1 4.15Å; I21-V391 HydrophobicContact CD1-CG2 4.07Å; I21-V391 HydrophobicContact CG2-CG1 4.22Å; V365-V391 CarbonylContact C-O 3.54Å; V365-V391 VanDerWaalsContact CA-O 3.23Å; V365-V391 WeakPolarHBondContact CA-O 3.03Å; D366-V391 PolarHBondContact N-O 3.39Å; D366-V391 PolarHBondContact O-N 2.8Å; L368-V391 HydrophobicContact CD1-CG2 4.44Å; L368-V391 HydrophobicContact CG-CG2 3.94Å; V391-Q400 WeakPolarHBondContact CA-O 3.17Å; V391-L401 HydrophobicContact CB-CD2 4Å; V391-L401 HydrophobicContact CG1-CD2 3.92Å; V391-L401 HydrophobicContact CG1-CG 4.46Å; V391-L401 HydrophobicContact CG2-CD2 3.43Å; V391-L401 VanDerWaalsContact CG2-CD2 3.43Å
392S96.7Very high81.9Confident0 Ų028.6 Ų28.60%015%0.147CC..EExtended strand (participates in β ladder)trans-131.1146.2175.264.20000111.7L340 H358 C399 Q400L340-S392 WeakPolarHBondContact CD1-OG 3.15Å; H358-S392 WeakPolarHBondContact NE2-CB 3.37Å; H358-S392 PolarHBondContact NE2-OG 2.88Å; S392-C399 WeakPolarHBondContact O-CA 3.5Å; S392-C399 PolarHBondContact O-SG 2.73Å; S392-C399 VanDerWaalsContact O-SG 3.4Å; S392-Q400 PolarHBondContact N-O 2.72Å; S392-Q400 PolarHBondContact O-N 2.94Å
393V96.7Very high83.8Confident0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-131.7156.8173.5-67.70000111M10 V13 V23 V362 T363 S364 C399M10-V393 HydrophobicContact CB-CB 3.81Å; M10-V393 HydrophobicContact CB-CG1 4.24Å; M10-V393 HydrophobicContact CB-CG2 4.2Å; M10-V393 HydrophobicContact CE-CB 4.28Å; M10-V393 HydrophobicContact CE-CG1 4.13Å; M10-V393 HydrophobicContact SD-CB 4.19Å; M10-V393 HydrophobicContact SD-CG1 3.68Å; V13-V393 HydrophobicContact CB-CB 4.38Å; V13-V393 HydrophobicContact CB-CG1 3.75Å; V13-V393 HydrophobicContact CB-CG2 3.71Å; V13-V393 HydrophobicContact CG1-CG1 4.24Å; V13-V393 HydrophobicContact CG1-CG2 3.73Å; V13-V393 HydrophobicContact CG2-CG1 4.12Å; V23-V393 HydrophobicContact CG1-CG1 3.95Å; V362-V393 WeakPolarHBondContact CG1-O 3.5Å; T363-V393 PolarHBondContact N-O 3.29Å; T363-V393 PolarHBondContact OG1-O 2.91Å; T363-V393 VanDerWaalsContact OG1-O 3.06Å; S364-V393 PolarHBondContact O-N 2.89Å; V393-C399 HydrophobicContact CG1-CB 3.88Å; V393-C399 WeakPolarHBondContact CG1-SG 3.31Å
394S96.4Very high85.8Confident0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-144.6165174.6-179.20000111M10 H358 I360 F361 T363 D396 N397 S398M10-S394 PolarHBondContact N-O 2.84Å; M10-S394 CarbonylContact O-C 3.6Å; H358-S394 WeakPolarHBondContact ND1-CB 3.25Å; I360-S394 WeakPolarHBondContact CG1-OG 3.47Å; F361-S394 WeakPolarHBondContact O-CB 3.18Å; F361-S394 PolarHBondContact O-OG 2.91Å; T363-S394 WeakPolarHBondContact OG1-CA 3.49Å; S394-D396 WeakPolarHBondContact CB-OD1 3.16Å; S394-D396 PolarHBondContact O-N 2.74Å; S394-N397 PolarHBondContact O-N 3.06Å; S394-S398 PolarHBondContact N-O 3.12Å
395A93.5Very high87.4Confident25 Ų2519.4 Ų19.421%0.20712%0.117CC..THydrogen-bonded Turntrans-73.52172.700000113P9 Y11 I360 T363 N397P9-A395 HydrophobicContact CB-CB 3.81Å; Y11-A395 HydrophobicContact CE1-CB 4.05Å; I360-A395 HydrophobicContact CD1-CB 3.79Å; T363-A395 HydrophobicContact CG2-CB 4.24Å; A395-N397 PolarHBondContact O-N 2.78Å; A395-N397 PolarHBondContact O-OD1 3.01Å
396D93.9Very high88.1Confident30 Ų3023 Ų2316%0.1612%0.124CC..THydrogen-bonded Turntrans-78.110.4166.369.67.6000113.4H358 S359 I360 S394 S398H358-D396 WeakPolarHBondContact CA-OD2 3.15Å; H358-D396 IonicContact CG-OD2 3.49Å; H358-D396 IonicContact ND1-OD1 3.55Å; H358-D396 PolarHBondContact ND1-OD1 2.86Å; H358-D396 IonicContact ND1-OD2 3.12Å; S359-D396 PolarHBondContact N-OD2 2.94Å; I360-D396 HydrophobicContact CD1-CB 4.26Å; I360-D396 HydrophobicContact CG1-CB 4.13Å; S394-D396 WeakPolarHBondContact CB-OD1 3.16Å; S394-D396 PolarHBondContact O-N 2.74Å; D396-S398 VanDerWaalsContact CG-OG 3.24Å; D396-S398 PolarHBondContact O-N 3.48Å; D396-S398 VanDerWaalsContact OD1-CB 3.3Å; D396-S398 WeakPolarHBondContact OD1-CB 3.28Å; D396-S398 PolarHBondContact OD1-N 2.65Å; D396-S398 PolarHBondContact OD1-OG 3.03Å; D396-S398 PolarHBondContact OD2-OG 2.87Å
397N93.2Very high88.3Confident48 Ų4823.1 Ų23.126%0.25713%0.126SC..SBendtrans62.815-177.9-53.6-6.9000114.2R5 T6 F8 P9 M10 S394 A395R5-N397 CarbonylContact C-O 3.49Å; R5-N397 WeakPolarHBondContact CA-O 3.47Å; R5-N397 WeakPolarHBondContact CB-O 3.38Å; T6-N397 PolarHBondContact N-O 3.35Å; T6-N397 WeakPolarHBondContact O-CB 3.46Å; T6-N397 PolarHBondContact OG1-O 3.2Å; F8-N397 PolarHBondContact O-OD1 2.88Å; P9-N397 WeakPolarHBondContact CA-OD1 3Å; P9-N397 VanDerWaalsContact N-OD1 3.07Å; M10-N397 VanDerWaalsContact CE-C 3.42Å; S394-N397 PolarHBondContact O-N 3.06Å; A395-N397 PolarHBondContact O-N 2.78Å; A395-N397 PolarHBondContact O-OD1 3.01Å
398S93.9Very high87.4Confident2 Ų227.5 Ų27.51%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-102.6139.3176.673.40000112.1M10 H358 S394 D396M10-S398 WeakPolarHBondContact CE-O 3.32Å; H358-S398 PolarHBondContact CE1-O 2.78Å; H358-S398 VanDerWaalsContact CE1-O 3.23Å; H358-S398 PolarHBondContact CE1-OG 2.92Å; H358-S398 VanDerWaalsContact CE1-OG 3.3Å; H358-S398 PolarHBondContact ND1-OG 3.27Å; S394-S398 PolarHBondContact N-O 3.12Å; D396-S398 VanDerWaalsContact CG-OG 3.24Å; D396-S398 PolarHBondContact O-N 3.48Å; D396-S398 VanDerWaalsContact OD1-CB 3.3Å; D396-S398 WeakPolarHBondContact OD1-CB 3.28Å; D396-S398 PolarHBondContact OD1-N 2.65Å; D396-S398 PolarHBondContact OD1-OG 3.03Å; D396-S398 PolarHBondContact OD2-OG 2.87Å
399C93.4Very high86.1Confident0 Ų036.8 Ų36.80%019%0.193CC..EExtended strand (participates in β ladder)trans-120135.8170.7-1720000108.5Q3 W4 M10 S392 V393Q3-C399 WeakPolarHBondContact CA-O 3.43Å; W4-C399 HydrophobicContact CD2-CB 3.84Å; W4-C399 VanDerWaalsContact CE2-CB 3.48Å; W4-C399 HydrophobicContact CE3-CB 4.26Å; W4-C399 HydrophobicContact CG-CB 4.41Å; W4-C399 HydrophobicContact CH2-CB 4.07Å; W4-C399 WeakPolarHBondContact CH2-SG 3.11Å; W4-C399 HydrophobicContact CZ2-CB 3.65Å; W4-C399 WeakPolarHBondContact CZ2-SG 3.47Å; W4-C399 HydrophobicContact CZ3-CB 4.35Å; W4-C399 PolarHBondContact N-O 2.72Å; W4-C399 PolarHBondContact O-N 3.05Å; M10-C399 HydrophobicContact CE-CB 3.91Å; M10-C399 HydrophobicContact SD-CB 4.14Å; S392-C399 WeakPolarHBondContact O-CA 3.5Å; S392-C399 PolarHBondContact O-SG 2.73Å; S392-C399 VanDerWaalsContact O-SG 3.4Å; V393-C399 HydrophobicContact CG1-CB 3.88Å; V393-C399 WeakPolarHBondContact CG1-SG 3.31Å
400Q92.8Very high85Confident7 Ų742.7 Ų42.73%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-134142.3-175.4-62.2-174.328.300112I2 Q3 V357 V391 S392 H402I2-Q400 CarbonylContact O-C 3.57Å; I2-Q400 WeakPolarHBondContact O-CA 3.13Å; Q3-Q400 HydrophobicContact CB-CG 4.14Å; Q3-Q400 HydrophobicContact CG-CG 3.9Å; V357-Q400 PolarHBondContact O-NE2 2.83Å; V391-Q400 WeakPolarHBondContact CA-O 3.17Å; S392-Q400 PolarHBondContact N-O 2.72Å; S392-Q400 PolarHBondContact O-N 2.94Å; Q400-H402 WeakPolarHBondContact CB-NE2 3.09Å; Q400-H402 PolarHBondContact OE1-CE1 3.42Å; Q400-H402 VanDerWaalsContact OE1-CE1 3.32Å; Q400-H402 PolarHBondContact OE1-NE2 2.86Å
401L91.3Very high84Confident1 Ų144.9 Ų44.91%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-108.3118.7170.9-72.4162.6000109.8M1 I2 W4 I21 L43 L52 L368 T389 V391M1-L401 WeakPolarHBondContact CA-O 3.49Å; I2-L401 HydrophobicContact CB-CB 4.02Å; I2-L401 HydrophobicContact CB-CD1 4.14Å; I2-L401 HydrophobicContact CD1-CB 3.93Å; I2-L401 HydrophobicContact CD1-CD1 3.51Å; I2-L401 HydrophobicContact CD1-CG 4.34Å; I2-L401 HydrophobicContact CG1-CB 4.26Å; I2-L401 HydrophobicContact CG1-CD1 4.41Å; I2-L401 PolarHBondContact N-O 2.87Å; I2-L401 PolarHBondContact O-N 3.22Å; W4-L401 HydrophobicContact CH2-CD1 3.98Å; W4-L401 HydrophobicContact CH2-CG 4.05Å; W4-L401 HydrophobicContact CZ3-CD1 3.69Å; W4-L401 HydrophobicContact CZ3-CG 3.81Å; I21-L401 HydrophobicContact CD1-CD1 4.14Å; I21-L401 HydrophobicContact CD1-CD2 3.93Å; I21-L401 HydrophobicContact CD1-CG 4.44Å; L43-L401 HydrophobicContact CD1-CD1 4.1Å; L43-L401 HydrophobicContact CD2-CD1 4.3Å; L52-L401 HydrophobicContact CD1-CD1 4.33Å; L368-L401 HydrophobicContact CD1-CD2 3.79Å; T389-L401 HydrophobicContact CG2-CD2 3.92Å; V391-L401 HydrophobicContact CB-CD2 4Å; V391-L401 HydrophobicContact CG1-CD2 3.92Å; V391-L401 HydrophobicContact CG1-CG 4.46Å; V391-L401 HydrophobicContact CG2-CD2 3.43Å; V391-L401 VanDerWaalsContact CG2-CD2 3.43Å
402H90.1Very high83.3Confident6 Ų655.9 Ų55.93%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-108.7116.3179.3-61.6-87.2000109.2L340 W354 V357 T389 L390 Q400L340-H402 WeakPolarHBondContact CD1-CD2 3.4Å; L340-H402 WeakPolarHBondContact CD1-NE2 3.39Å; W354-H402 AromaticContact CD1-ND1 3.99Å; W354-H402 HydrophobicContact CD2-CB 4.16Å; W354-H402 HydrophobicContact CE3-CB 4.28Å; W354-H402 AromaticContact CG-ND1 3.86Å; W354-H402 HydrophobicContact CH2-CB 3.94Å; W354-H402 HydrophobicContact CZ2-CB 3.83Å; W354-H402 HydrophobicContact CZ3-CB 4.16Å; V357-H402 WeakPolarHBondContact CG1-CE1 3.48Å; T389-H402 CarbonylContact C-O 3.58Å; T389-H402 WeakPolarHBondContact CA-O 3.21Å; L390-H402 PolarHBondContact N-O 3.28Å; L390-H402 PolarHBondContact O-N 2.92Å; Q400-H402 WeakPolarHBondContact CB-NE2 3.09Å; Q400-H402 PolarHBondContact OE1-CE1 3.42Å; Q400-H402 VanDerWaalsContact OE1-CE1 3.32Å; Q400-H402 PolarHBondContact OE1-NE2 2.86Å
403I87Confident82.6Confident46 Ų4659.3 Ų59.324%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-106.6127.6-179.8-56.1174.3000107.2N387 T389N387-I403 HydrophobicContact CB-CG2 3.87Å; T389-I403 HydrophobicContact CG2-CG1 3.9Å
404M85.3Confident82Confident32 Ų3263.7 Ų63.716%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-108.5119.7168.4-176.1-163.375.500108.7L342 L351 W354 N387 V388L342-M404 HydrophobicContact CD2-CB 4.01Å; L342-M404 HydrophobicContact CD2-CE 3.99Å; L342-M404 HydrophobicContact CD2-CG 4.35Å; L342-M404 HydrophobicContact CD2-SD 3.49Å; L342-M404 WeakPolarHBondContact CD2-SD 3.3Å; L351-M404 HydrophobicContact CB-SD 4.06Å; L351-M404 HydrophobicContact CD1-CE 4.08Å; L351-M404 HydrophobicContact CD1-SD 4.21Å; W354-M404 HydrophobicContact CH2-CB 4.41Å; W354-M404 HydrophobicContact CZ2-CB 4.32Å; N387-M404 WeakPolarHBondContact CA-O 3.49Å; V388-M404 HydrophobicContact CB-CE 4.18Å; V388-M404 HydrophobicContact CG2-CE 3.86Å; V388-M404 PolarHBondContact N-O 2.55Å; V388-M404 PolarHBondContact O-N 2.98Å
405D78.3Confident81.7Confident100 Ų10067.6 Ų67.654%0.53534%0.336SS..  trans-73.7130172.4-62.3-32.8000109.7N387 S407N387-D405 PolarHBondContact ND2-OD1 2.92Å; N387-D405 WeakPolarHBondContact OD1-CA 3.36Å; N387-D405 PolarHBondContact OD1-OD1 2.82Å; D405-S407 VanDerWaalsContact C-N 3.29Å
406K69.5Low81.6Confident109 Ų10972.1 Ų72.147%0.47435%0.352SS..  trans-84.1-3.2176.5-176.1177173.8-165.70112.5P386 S408P386-K406 HydrophobicContact CB-CD 4.09Å; P386-K406 HydrophobicContact CG-CB 4.11Å; P386-K406 HydrophobicContact CG-CD 3.89Å; P386-K406 HydrophobicContact CG-CG 4.33Å; P386-K406 WeakPolarHBondContact O-CB 3.42Å; K406-S408 PolarHBondContact O-N 2.9Å
407S61.8Low81.5Confident60 Ų6076.1 Ų76.142%0.4237%0.372SS..  trans-48.1105.3-17650.20000109.3D405 Y409D405-S407 VanDerWaalsContact C-N 3.29Å; S407-Y409 WeakPolarHBondContact O-CD2 3.45Å; S407-Y409 PolarHBondContact O-N 2.88Å; S407-Y409 WeakPolarHBondContact OG-CE2 3.26Å
408S57.8Low81.5Confident98 Ų9876.6 Ų76.669%0.68538%0.375SS*.  trans-75.480.6178.1178.70000104.5K406 W410K406-S408 PolarHBondContact O-N 2.9Å; S408-W410 PolarHBondContact O-N 2.82Å
409Y59.2Low81.5Confident196 Ų19682.8 Ų82.877%0.76940%0.402SS*.PPolyproline II helixtrans-53.3118.8161.9-65.6-77.6000105.3S407 S411S407-Y409 WeakPolarHBondContact O-CD2 3.45Å; S407-Y409 PolarHBondContact O-N 2.88Å; S407-Y409 WeakPolarHBondContact OG-CE2 3.26Å; Y409-S411 PolarHBondContact O-N 3.22Å
410W67.2Low81.6Confident135 Ų13586.4 Ų86.451%0.51142%0.419SS..PPolyproline II helixtrans-52.1130.6172.4-75.440.9000106.4S408 Q414 L415 L418S408-W410 PolarHBondContact O-N 2.82Å; W410-Q414 HydrophobicContact CB-CB 4.21Å; W410-Q414 HydrophobicContact CE3-CB 3.95Å; W410-L415 HydrophobicContact CB-CD1 4.2Å; W410-L415 HydrophobicContact CB-CD2 4.32Å; W410-L415 HydrophobicContact CB-CG 3.76Å; W410-L418 HydrophobicContact CE3-CB 4.44Å; W410-L418 HydrophobicContact CE3-CD2 4.18Å; W410-L418 HydrophobicContact CH2-CD1 4.18Å; W410-L418 HydrophobicContact CH2-CD2 4.05Å; W410-L418 HydrophobicContact CZ3-CB 3.87Å; W410-L418 HydrophobicContact CZ3-CD1 3.97Å; W410-L418 HydrophobicContact CZ3-CD2 3.61Å; W410-L418 HydrophobicContact CZ3-CG 4.01Å
411S71.1Confident81.7Confident48 Ų4892 Ų9234%0.33645%0.447SS..PPolyproline II helixtrans-58.4151.5176.362.50000108.6Y409 S413 Q414 L415Y409-S411 PolarHBondContact O-N 3.22Å; S411-S413 PolarHBondContact O-N 2.55Å; S411-S413 PolarHBondContact OG-OG 3.05Å; S411-Q414 VanDerWaalsContact N-OE1 3.15Å; S411-Q414 WeakPolarHBondContact O-CA 3.36Å; S411-Q414 WeakPolarHBondContact O-CB 3.19Å; S411-Q414 PolarHBondContact O-N 3.34Å; S411-Q414 VanDerWaalsContact OG-CG 3.3Å; S411-Q414 WeakPolarHBondContact OG-CG 3.34Å; S411-Q414 PolarHBondContact OG-N 3.27Å; S411-L415 PolarHBondContact O-N 3.22Å
412W80.7Confident81.8Confident230 Ų23096.1 Ų96.187%0.87147%0.468SS*.Hα-helixtrans-51.9-31.5173.9-8299.7000112.2F416W412-F416 WeakPolarHBondContact O-CB 3.17Å; W412-F416 PolarHBondContact O-N 3.43Å
413S80.8Confident82Confident73 Ų7398.4 Ų98.451%0.5149%0.485SS..Hα-helixtrans-68.1-38.2172.754.30000114S411 F416 L417S411-S413 PolarHBondContact O-N 2.55Å; S411-S413 PolarHBondContact OG-OG 3.05Å; S413-F416 PolarHBondContact O-N 2.95Å; S413-L417 WeakPolarHBondContact O-CB 3.23Å; S413-L417 VanDerWaalsContact O-CG 3.26Å; S413-L417 WeakPolarHBondContact O-CG 3.4Å; S413-L417 PolarHBondContact O-N 2.89Å
414Q85.5Confident82.3Confident92 Ų92100.1 Ų100.143%0.4350%0.495SS..Hα-helixtrans-71.2-41.2175.1-74.4169.5-15.400111.4W410 S411 F416 L417 L418W410-Q414 HydrophobicContact CB-CB 4.21Å; W410-Q414 HydrophobicContact CE3-CB 3.95Å; S411-Q414 VanDerWaalsContact N-OE1 3.15Å; S411-Q414 WeakPolarHBondContact O-CA 3.36Å; S411-Q414 WeakPolarHBondContact O-CB 3.19Å; S411-Q414 PolarHBondContact O-N 3.34Å; S411-Q414 VanDerWaalsContact OG-CG 3.3Å; S411-Q414 WeakPolarHBondContact OG-CG 3.34Å; S411-Q414 PolarHBondContact OG-N 3.27Å; Q414-F416 VanDerWaalsContact C-N 3.32Å; Q414-L417 PolarHBondContact O-N 2.91Å; Q414-L418 VanDerWaalsContact O-CB 3.29Å; Q414-L418 WeakPolarHBondContact O-CB 3.43Å; Q414-L418 PolarHBondContact O-N 2.96Å
415L89Confident82.7Confident81 Ų81104.6 Ų104.642%0.42452%0.518SS..Hα-helixtrans-60.8-42.9172-80.1160.2000111W410 S411 L418 F419W410-L415 HydrophobicContact CB-CD1 4.2Å; W410-L415 HydrophobicContact CB-CD2 4.32Å; W410-L415 HydrophobicContact CB-CG 3.76Å; S411-L415 PolarHBondContact O-N 3.22Å; L415-L418 PolarHBondContact O-N 2.97Å; L415-F419 VanDerWaalsContact O-CB 3.24Å; L415-F419 WeakPolarHBondContact O-CB 3.25Å; L415-F419 PolarHBondContact O-N 2.81Å
416F91.5Very high83.3Confident121 Ų121105.4 Ų105.453%0.53152%0.522SS..Hα-helixtrans-65.8-43.8176.3-176.5-99.1000112.1W412 S413 Q414 L418 F419 M420W412-F416 WeakPolarHBondContact O-CB 3.17Å; W412-F416 PolarHBondContact O-N 3.43Å; S413-F416 PolarHBondContact O-N 2.95Å; Q414-F416 VanDerWaalsContact C-N 3.32Å; F416-L418 PolarHBondContact O-N 3.48Å; F416-F419 WeakPolarHBondContact O-CB 3.42Å; F416-F419 PolarHBondContact O-N 3.01Å; F416-M420 HydrophobicContact CD1-CG 4.02Å; F416-M420 HydrophobicContact CE1-CG 3.62Å; F416-M420 HydrophobicContact CE1-SD 4.31Å; F416-M420 HydrophobicContact CE2-CG 4.32Å; F416-M420 HydrophobicContact CE2-SD 4.45Å; F416-M420 HydrophobicContact CZ-CG 3.79Å; F416-M420 HydrophobicContact CZ-SD 3.93Å; F416-M420 WeakPolarHBondContact O-CB 3.44Å; F416-M420 VanDerWaalsContact O-CG 3.28Å; F416-M420 WeakPolarHBondContact O-CG 3.13Å; F416-M420 PolarHBondContact O-N 3.28Å
417L92.4Very high84.3Confident113 Ų113107.4 Ų107.459%0.59253%0.528SS*.Hα-helixtrans-63.6-40.7175.5-78169.4000112S413 Q414 M420 M421S413-L417 WeakPolarHBondContact O-CB 3.23Å; S413-L417 VanDerWaalsContact O-CG 3.26Å; S413-L417 WeakPolarHBondContact O-CG 3.4Å; S413-L417 PolarHBondContact O-N 2.89Å; Q414-L417 PolarHBondContact O-N 2.91Å; L417-M420 PolarHBondContact O-N 3.09Å; L417-M421 WeakPolarHBondContact O-CB 3.41Å; L417-M421 PolarHBondContact O-N 3.34Å
418L93.2Very high85.6Confident59 Ų59108.6 Ų108.631%0.30953%0.529SS..Hα-helixtrans-62.9-45.9173.7-174.172.7000110.8W410 Q414 L415 F416 M420 M421 I422W410-L418 HydrophobicContact CE3-CB 4.44Å; W410-L418 HydrophobicContact CE3-CD2 4.18Å; W410-L418 HydrophobicContact CH2-CD1 4.18Å; W410-L418 HydrophobicContact CH2-CD2 4.05Å; W410-L418 HydrophobicContact CZ3-CB 3.87Å; W410-L418 HydrophobicContact CZ3-CD1 3.97Å; W410-L418 HydrophobicContact CZ3-CD2 3.61Å; W410-L418 HydrophobicContact CZ3-CG 4.01Å; Q414-L418 VanDerWaalsContact O-CB 3.29Å; Q414-L418 WeakPolarHBondContact O-CB 3.43Å; Q414-L418 PolarHBondContact O-N 2.96Å; L415-L418 PolarHBondContact O-N 2.97Å; F416-L418 PolarHBondContact O-N 3.48Å; L418-M420 PolarHBondContact O-N 3.4Å; L418-M421 WeakPolarHBondContact O-CB 3.16Å; L418-M421 PolarHBondContact O-N 2.98Å; L418-I422 HydrophobicContact CD1-CD1 4.45Å; L418-I422 HydrophobicContact CD2-CD1 4.37Å; L418-I422 HydrophobicContact CG-CD1 3.9Å; L418-I422 WeakPolarHBondContact O-CB 3.42Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.49Å; L418-I422 PolarHBondContact O-N 3.36Å
419F94.2Very high87Confident132 Ų132112.6 Ų112.658%0.57953%0.53SS*.Hα-helixtrans-59.5-45.2175.9176.8-96.9000111.6L415 F416 M421 I422 S423L415-F419 VanDerWaalsContact O-CB 3.24Å; L415-F419 WeakPolarHBondContact O-CB 3.25Å; L415-F419 PolarHBondContact O-N 2.81Å; F416-F419 WeakPolarHBondContact O-CB 3.42Å; F416-F419 PolarHBondContact O-N 3.01Å; F419-M421 VanDerWaalsContact C-N 3.34Å; F419-M421 PolarHBondContact O-N 3.05Å; F419-I422 PolarHBondContact O-N 2.8Å; F419-S423 VanDerWaalsContact O-CB 3.28Å; F419-S423 WeakPolarHBondContact O-CB 3.41Å; F419-S423 PolarHBondContact O-N 3.23Å
420M94.5Very high88.3Confident75 Ų75105.4 Ų105.437%0.36952%0.516SS..Hα-helixtrans-63.1-39.6175.3-73.8-62-67.600111.8F416 L417 L418 S423 N424F416-M420 HydrophobicContact CD1-CG 4.02Å; F416-M420 HydrophobicContact CE1-CG 3.62Å; F416-M420 HydrophobicContact CE1-SD 4.31Å; F416-M420 HydrophobicContact CE2-CG 4.32Å; F416-M420 HydrophobicContact CE2-SD 4.45Å; F416-M420 HydrophobicContact CZ-CG 3.79Å; F416-M420 HydrophobicContact CZ-SD 3.93Å; F416-M420 WeakPolarHBondContact O-CB 3.44Å; F416-M420 VanDerWaalsContact O-CG 3.28Å; F416-M420 WeakPolarHBondContact O-CG 3.13Å; F416-M420 PolarHBondContact O-N 3.28Å; L417-M420 PolarHBondContact O-N 3.09Å; L418-M420 PolarHBondContact O-N 3.4Å; M420-S423 PolarHBondContact O-N 3.49Å; M420-N424 WeakPolarHBondContact O-CB 3.48Å; M420-N424 PolarHBondContact O-N 2.97Å; M420-N424 PolarHBondContact O-ND2 2.99Å
421M94.5Very high89Confident124 Ų124104.7 Ų104.761%0.61152%0.516SS*.Hα-helixtrans-64.3-45.7176.4-166.4-165.4-50.600111.1L417 L418 F419 N424 L425L417-M421 WeakPolarHBondContact O-CB 3.41Å; L417-M421 PolarHBondContact O-N 3.34Å; L418-M421 WeakPolarHBondContact O-CB 3.16Å; L418-M421 PolarHBondContact O-N 2.98Å; F419-M421 VanDerWaalsContact C-N 3.34Å; F419-M421 PolarHBondContact O-N 3.05Å; M421-N424 PolarHBondContact O-N 2.87Å; M421-L425 WeakPolarHBondContact O-CB 3.45Å; M421-L425 PolarHBondContact O-N 2.84Å
422I94.7Very high89Confident89 Ų89108.6 Ų108.646%0.45653%0.527SS..Hα-helixtrans-63.4-44176.4-68.1166.5000110.7L418 F419 L425 L426L418-I422 HydrophobicContact CD1-CD1 4.45Å; L418-I422 HydrophobicContact CD2-CD1 4.37Å; L418-I422 HydrophobicContact CG-CD1 3.9Å; L418-I422 WeakPolarHBondContact O-CB 3.42Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.49Å; L418-I422 PolarHBondContact O-N 3.36Å; F419-I422 PolarHBondContact O-N 2.8Å; I422-L425 PolarHBondContact O-N 3.13Å; I422-L426 HydrophobicContact CG2-CD1 3.83Å; I422-L426 WeakPolarHBondContact O-CB 3.41Å; I422-L426 PolarHBondContact O-N 2.7Å
423S93.7Very high88.4Confident54 Ų54100.1 Ų100.138%0.37850%0.503SS..Hα-helixtrans-62.6-43.6177.4177.30000112.2F419 M420 L426 Y427F419-S423 VanDerWaalsContact O-CB 3.28Å; F419-S423 WeakPolarHBondContact O-CB 3.41Å; F419-S423 PolarHBondContact O-N 3.23Å; M420-S423 PolarHBondContact O-N 3.49Å; S423-L426 PolarHBondContact O-N 2.77Å; S423-Y427 WeakPolarHBondContact O-CB 3.48Å; S423-Y427 PolarHBondContact O-N 3.1Å
424N93.6Very high87.3Confident82 Ų8298.5 Ų98.544%0.43950%0.498SS..Hα-helixtrans-65.7-39174.8-84.2-81.7000112M420 M421 Y427 L428M420-N424 WeakPolarHBondContact O-CB 3.48Å; M420-N424 PolarHBondContact O-N 2.97Å; M420-N424 PolarHBondContact O-ND2 2.99Å; M421-N424 PolarHBondContact O-N 2.87Å; N424-Y427 PolarHBondContact O-N 3.46Å; N424-L428 WeakPolarHBondContact O-CB 3.35Å; N424-L428 WeakPolarHBondContact O-CG 3.17Å; N424-L428 PolarHBondContact O-N 3.05Å
425L93.1Very high85.7Confident126 Ų12697.1 Ų97.166%0.6650%0.498SS*.Hα-helixtrans-63.4-43176.5-155.784.6000111.2M421 I422 L428 Y429M421-L425 WeakPolarHBondContact O-CB 3.45Å; M421-L425 PolarHBondContact O-N 2.84Å; I422-L425 PolarHBondContact O-N 3.13Å; L425-L428 PolarHBondContact O-N 3.25Å; L425-Y429 VanDerWaalsContact O-CB 3.3Å; L425-Y429 WeakPolarHBondContact O-CB 3.29Å; L425-Y429 PolarHBondContact O-N 3.13Å
426L91.7Very high83.8Confident116 Ų11698 Ų9861%0.60751%0.507SS*.Hα-helixtrans-63.2-42.5173.9-83.2156.2000112.1I422 S423 Y429 G430I422-L426 HydrophobicContact CG2-CD1 3.83Å; I422-L426 WeakPolarHBondContact O-CB 3.41Å; I422-L426 PolarHBondContact O-N 2.7Å; S423-L426 PolarHBondContact O-N 2.77Å; L426-Y429 PolarHBondContact O-N 2.84Å; L426-G430 PolarHBondContact O-N 3.22Å
427Y90Very high81.8Confident152 Ų152100.6 Ų100.660%0.59652%0.518SS*.Hα-helixtrans-63.9-45.5176.4175.1-102.3000112.2S423 N424 Y429 G430 K431S423-Y427 WeakPolarHBondContact O-CB 3.48Å; S423-Y427 PolarHBondContact O-N 3.1Å; N424-Y427 PolarHBondContact O-N 3.46Å; Y427-Y429 VanDerWaalsContact C-N 3.34Å; Y427-G430 PolarHBondContact O-N 3.08Å; Y427-K431 WeakPolarHBondContact O-CB 3.07Å; Y427-K431 PolarHBondContact O-N 3.14Å
428L88.5Confident79.6Confident84 Ų84102.1 Ų102.144%0.4453%0.527SS..Hα-helixtrans-62.2-43174.8-74.3167.9000111N424 L425 G430 K431 F432N424-L428 WeakPolarHBondContact O-CB 3.35Å; N424-L428 WeakPolarHBondContact O-CG 3.17Å; N424-L428 PolarHBondContact O-N 3.05Å; L425-L428 PolarHBondContact O-N 3.25Å; L428-G430 PolarHBondContact O-N 2.79Å; L428-K431 PolarHBondContact O-N 3.3Å; L428-F432 HydrophobicContact CD2-CE2 4.19Å; L428-F432 WeakPolarHBondContact O-CB 3.48Å; L428-F432 WeakPolarHBondContact O-CD2 3.38Å; L428-F432 PolarHBondContact O-N 2.94Å
429Y87.9Confident77.2Confident182 Ų182105.5 Ų105.571%0.71454%0.544SS*.Hα-helixtrans-59.5-44.6175.4-174.1-96.7000111.8L425 L426 Y427 S433L425-Y429 VanDerWaalsContact O-CB 3.3Å; L425-Y429 WeakPolarHBondContact O-CB 3.29Å; L425-Y429 PolarHBondContact O-N 3.13Å; L426-Y429 PolarHBondContact O-N 2.84Å; Y427-Y429 VanDerWaalsContact C-N 3.34Å; Y429-S433 WeakPolarHBondContact O-CB 3.35Å; Y429-S433 PolarHBondContact O-N 2.85Å
430G86.9Confident74.4Confident45 Ų45108.1 Ų108.146%0.46456%0.555SS.*Hα-helixtrans-62.8-41.6174.900000113.3L426 Y427 L428 G434L426-G430 PolarHBondContact O-N 3.22Å; Y427-G430 PolarHBondContact O-N 3.08Å; L428-G430 PolarHBondContact O-N 2.79Å; G430-G434 PolarHBondContact O-N 2.73Å; G430-G434 VanDerWaalsContact O-N 3.09Å
431K81.7Confident71.7Confident121 Ų121113.4 Ų113.453%0.52658%0.581SS.*Hα-helixtrans-70.8-40.8-179.9-166.6179.4-179.8-177.80112.9Y427 L428 G434 S435Y427-K431 WeakPolarHBondContact O-CB 3.07Å; Y427-K431 PolarHBondContact O-N 3.14Å; L428-K431 PolarHBondContact O-N 3.3Å; K431-G434 PolarHBondContact O-N 2.84Å; K431-S435 PolarHBondContact O-N 3.08Å; K431-S435 PolarHBondContact O-OG 3.19Å
432F71.4Confident69.2Low130 Ų130121 Ų12157%0.5761%0.611SS**Hα-helixtrans-76.9-32.1177.1-83.6-78.9000112.4L428 G434 S435 V436L428-F432 HydrophobicContact CD2-CE2 4.19Å; L428-F432 WeakPolarHBondContact O-CB 3.48Å; L428-F432 WeakPolarHBondContact O-CD2 3.38Å; L428-F432 PolarHBondContact O-N 2.94Å; F432-G434 VanDerWaalsContact C-N 3.3Å; F432-G434 PolarHBondContact O-N 3.44Å; F432-S435 PolarHBondContact O-N 2.69Å; F432-V436 VanDerWaalsContact O-CB 3.31Å; F432-V436 WeakPolarHBondContact O-CB 3.33Å; F432-V436 WeakPolarHBondContact O-CG2 3.01Å; F432-V436 PolarHBondContact O-N 2.95Å
433S67.7Low67.9Low51 Ų51122.6 Ų122.636%0.35762%0.619SS.*Hα-helixtrans-55.4-48.5165.7163.80000110.2Y429 S435 V436 F437Y429-S433 WeakPolarHBondContact O-CB 3.35Å; Y429-S433 PolarHBondContact O-N 2.85Å; S433-S435 PolarHBondContact O-N 3.46Å; S433-V436 PolarHBondContact O-N 3.04Å; S433-F437 WeakPolarHBondContact O-CD2 3.26Å; S433-F437 PolarHBondContact O-N 3.24Å
434G57Low66.6Low40 Ų40126.2 Ų126.241%0.41263%0.632SS.*Hα-helixtrans-61.6-38.5176.500000114.2G430 K431 F432G430-G434 PolarHBondContact O-N 2.73Å; G430-G434 VanDerWaalsContact O-N 3.09Å; K431-G434 PolarHBondContact O-N 2.84Å; F432-G434 VanDerWaalsContact C-N 3.3Å; F432-G434 PolarHBondContact O-N 3.44Å
435S51.8Low65.1Low62 Ų62128.6 Ų128.643%0.43464%0.642SS.*Hα-helixtrans-81.8-23.8-178.5-53.70000113.9K431 F432 S433 F437K431-S435 PolarHBondContact O-N 3.08Å; K431-S435 PolarHBondContact O-OG 3.19Å; F432-S435 PolarHBondContact O-N 2.69Å; S433-S435 PolarHBondContact O-N 3.46Å; S435-F437 VanDerWaalsContact C-N 3.32Å
436V50.6Low63.4Low99 Ų99128.8 Ų128.860%0.664%0.641SS**Hα-helixtrans-75.1-26173.3172.30000110.7F432 S433F432-V436 VanDerWaalsContact O-CB 3.31Å; F432-V436 WeakPolarHBondContact O-CB 3.33Å; F432-V436 WeakPolarHBondContact O-CG2 3.01Å; F432-V436 PolarHBondContact O-N 2.95Å; S433-V436 PolarHBondContact O-N 3.04Å
437F49.5Very low61.7Low176 Ų176129.6 Ų129.677%0.77264%0.644SS**Hα-helixtrans-76.9-16.1173.4-81.3-67.6000114.6S433 S435S433-F437 WeakPolarHBondContact O-CD2 3.26Å; S433-F437 PolarHBondContact O-N 3.24Å; S435-F437 VanDerWaalsContact C-N 3.32Å
438D44.9Very low59.8Low146 Ų146128.1 Ų128.178%0.78165%0.647SS**THydrogen-bonded Turntrans-91.6-0.4174.6-86.7-20.4000114K440D438-K440 PolarHBondContact O-N 3.49Å
439I43.5Very low57.7Low129 Ų129131.2 Ų131.266%0.66266%0.662SS**SBendtrans-90.8100.2172.9-61.8172.4000109
440K34.9Very low55.4Low187 Ų187127.3 Ų127.381%0.81366%0.658SS**  trans89.181.1169.9-61.9179.6175.6-176.80116.4D438D438-K440 PolarHBondContact O-N 3.49Å
441M37.8Very low52.8Low187 Ų187134.2 Ų134.292%0.92167%0.674SS**  trans-129.966.8136.5-145.9178.9-167.500109.4
442F42.8Very low50.2Low282 Ų282135.4 Ų135.4100%1.23769%0.687SS**  trans-146.50155.1-90.1-71.9000109.1

Retrieved 442 of 442 residues in 272.3 ms (Link to these results)

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