A0A096M121_POEFO Loading...

RCC1 domain containing 1

AlphaFold DB , UniProt , Accession A0A096M121, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M81.9Confident90Very high88 Ų8828.6 Ų28.643%0.43314%0.137SC..  0133.10-179.5-175.3-108.900107.4V356 A368 A369 V370M1-V356 HydrophobicContact CE-CB 4.45Å; M1-V356 HydrophobicContact CE-CG2 3.15Å; M1-A368 HydrophobicContact CE-CB 3.72Å; M1-A368 HydrophobicContact CG-CB 3.93Å; M1-A368 HydrophobicContact SD-CB 3.88Å; M1-A369 CarbonylContact C-O 3.37Å; M1-A369 WeakPolarHBondContact CA-O 3.34Å; M1-V370 HydrophobicContact CB-CG1 4.08Å; M1-V370 HydrophobicContact CG-CG1 4.45Å
2R88.7Confident89.2Confident98 Ų9830.5 Ų30.537%0.3716%0.16SC..EExtended strand (participates in β ladder)trans-112.9146.4174.4-70.1168.273.2-169.47.7107.7F4 D39 A368 A369R2-F4 HydrophobicContact CB-CD2 4.46Å; R2-F4 HydrophobicContact CB-CE2 3.65Å; R2-F4 HydrophobicContact CB-CZ 4.13Å; R2-D39 IonicContact CZ-OD2 2.87Å; R2-D39 IonicContact NE-OD1 3.54Å; R2-D39 IonicContact NE-OD2 3.57Å; R2-D39 PolarHBondContact NE-OD2 3.07Å; R2-D39 IonicContact NH2-OD2 3.8Å; R2-D39 PolarHBondContact NH2-OD2 2.91Å; R2-A368 CarbonylContact O-C 3.53Å; R2-A368 WeakPolarHBondContact O-CA 3.3Å; R2-A369 PolarHBondContact N-O 3.09Å; R2-A369 PolarHBondContact O-N 3.34Å
3W91.9Very high88.7Confident1 Ų128.2 Ų28.20%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-108.5138.6175.6-81.890.3000109.3L40 S47 I49 D357 V359 F366 T367 A368W3-L40 HydrophobicContact CB-CB 4.36Å; W3-L40 HydrophobicContact CB-CD1 4Å; W3-L40 VanDerWaalsContact O-CB 3.28Å; W3-L40 WeakPolarHBondContact O-CB 3.37Å; W3-L40 WeakPolarHBondContact O-CG 3.31Å; W3-L40 PolarHBondContact O-N 3.38Å; W3-S47 WeakPolarHBondContact CZ2-O 3.48Å; W3-S47 PolarHBondContact NE1-O 2.82Å; W3-S47 PolarHBondContact NE1-OG 2.84Å; W3-S47 VanDerWaalsContact NE1-OG 3.16Å; W3-I49 HydrophobicContact CB-CD1 3.67Å; W3-I49 HydrophobicContact CD2-CB 4.24Å; W3-I49 HydrophobicContact CD2-CD1 3.38Å; W3-I49 HydrophobicContact CD2-CG1 3.57Å; W3-I49 HydrophobicContact CE3-CB 3.93Å; W3-I49 HydrophobicContact CE3-CD1 3.41Å; W3-I49 VanDerWaalsContact CE3-CD1 3.41Å; W3-I49 HydrophobicContact CE3-CG1 3.7Å; W3-I49 HydrophobicContact CG-CD1 3.53Å; W3-I49 HydrophobicContact CG-CG1 4.03Å; W3-I49 HydrophobicContact CH2-CB 3.92Å; W3-I49 HydrophobicContact CH2-CG1 4.26Å; W3-I49 HydrophobicContact CZ2-CB 4.24Å; W3-I49 HydrophobicContact CZ2-CG1 4.15Å; W3-I49 HydrophobicContact CZ3-CB 3.76Å; W3-I49 HydrophobicContact CZ3-CD1 4.17Å; W3-I49 HydrophobicContact CZ3-CG1 4.04Å; W3-D357 HydrophobicContact CH2-CB 4.28Å; W3-V359 HydrophobicContact CH2-CG2 4.38Å; W3-F366 HydrophobicContact CE3-CB 4.27Å; W3-F366 HydrophobicContact CZ3-CB 4.28Å; W3-T367 CarbonylContact C-O 3.59Å; W3-T367 VanDerWaalsContact CA-O 3.26Å; W3-T367 WeakPolarHBondContact CA-O 3.12Å; W3-A368 HydrophobicContact CD2-CB 3.77Å; W3-A368 HydrophobicContact CE3-CB 3.95Å; W3-A368 HydrophobicContact CG-CB 4.46Å; W3-A368 HydrophobicContact CH2-CB 3.81Å; W3-A368 HydrophobicContact CZ2-CB 3.59Å; W3-A368 HydrophobicContact CZ3-CB 3.98Å
4F94.3Very high88.5Confident3 Ų326.3 Ų26.31%0.01314%0.138CC..EExtended strand (participates in β ladder)trans-120.9152.4178.9-62.1-102.9000109.5R2 P37 V38 D39 F347 F348 L353 F366 T367 A369R2-F4 HydrophobicContact CB-CD2 4.46Å; R2-F4 HydrophobicContact CB-CE2 3.65Å; R2-F4 HydrophobicContact CB-CZ 4.13Å; F4-P37 HydrophobicContact CB-CB 4.18Å; F4-P37 HydrophobicContact CD1-CB 4.4Å; F4-V38 CarbonylContact C-O 3.4Å; F4-V38 WeakPolarHBondContact CA-O 3.37Å; F4-D39 HydrophobicContact CD1-CB 4.01Å; F4-D39 HydrophobicContact CE1-CB 3.76Å; F4-D39 HydrophobicContact CZ-CB 4.4Å; F4-F347 AromaticContact CD1-CE1 3.88Å; F4-F347 HydrophobicContact CD1-CE1 3.88Å; F4-F347 HydrophobicContact CD1-CZ 4.36Å; F4-F347 AromaticContact CE1-CE1 3.79Å; F4-F347 HydrophobicContact CE1-CE1 3.79Å; F4-F347 HydrophobicContact CE1-CZ 4.13Å; F4-F348 HydrophobicContact CB-CE1 4.03Å; F4-F348 HydrophobicContact CB-CZ 3.96Å; F4-F348 HydrophobicContact CD1-CE1 4.2Å; F4-F348 AromaticContact CD2-CE1 3.65Å; F4-F348 HydrophobicContact CD2-CE1 3.65Å; F4-F348 HydrophobicContact CD2-CZ 4.42Å; F4-F348 HydrophobicContact CE2-CE1 4.14Å; F4-F348 AromaticContact CG-CE1 3.69Å; F4-F348 HydrophobicContact CG-CE1 3.69Å; F4-F348 HydrophobicContact CG-CZ 4.14Å; F4-L353 HydrophobicContact CE1-CD1 4.18Å; F4-L353 HydrophobicContact CE2-CD1 3.85Å; F4-L353 HydrophobicContact CZ-CD1 3.43Å; F4-L353 VanDerWaalsContact CZ-CD1 3.43Å; F4-F366 CarbonylContact O-C 3.12Å; F4-F366 WeakPolarHBondContact O-CA 3.39Å; F4-T367 PolarHBondContact N-O 3.07Å; F4-T367 PolarHBondContact O-N 3.29Å; F4-A369 HydrophobicContact CD2-CB 4.32Å; F4-A369 HydrophobicContact CE2-CB 4.02Å
5G94.8Very high88.1Confident0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-135143.1176.800000112.3V38 T365G5-V38 PolarHBondContact N-O 3.47Å; G5-V38 PolarHBondContact O-N 2.76Å; G5-T365 WeakPolarHBondContact CA-O 3.49Å
6F96.2Very high87.5Confident0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-152.2157.5174.148.5-81.1000110.6V34 P37 L320 Q330 L331 G332 F348 N364 T365 T367F6-V34 CarbonylContact C-O 3.47Å; F6-V34 WeakPolarHBondContact CA-O 3.39Å; F6-V34 HydrophobicContact CB-CG1 4.28Å; F6-V34 WeakPolarHBondContact CB-O 3.32Å; F6-P37 HydrophobicContact CD1-CB 3.79Å; F6-P37 HydrophobicContact CD1-CG 3.77Å; F6-P37 HydrophobicContact CE1-CB 4.23Å; F6-P37 HydrophobicContact CE1-CG 4Å; F6-P37 HydrophobicContact CG-CG 4.34Å; F6-L320 HydrophobicContact CZ-CD2 4.02Å; F6-Q330 VanDerWaalsContact CD2-O 3.32Å; F6-Q330 WeakPolarHBondContact CD2-O 3.45Å; F6-Q330 WeakPolarHBondContact CE2-O 3.17Å; F6-L331 VanDerWaalsContact CE2-C 3.45Å; F6-L331 WeakPolarHBondContact CE2-O 3.41Å; F6-G332 VanDerWaalsContact CD2-N 3.32Å; F6-F348 HydrophobicContact CE1-CE2 4.34Å; F6-F348 HydrophobicContact CE1-CZ 4.4Å; F6-N364 CarbonylContact O-C 3.59Å; F6-N364 VanDerWaalsContact O-CA 3.27Å; F6-N364 WeakPolarHBondContact O-CA 3.28Å; F6-N364 WeakPolarHBondContact O-CB 3.46Å; F6-T365 HydrophobicContact CE1-CG2 4.14Å; F6-T365 VanDerWaalsContact CE2-CB 3.49Å; F6-T365 HydrophobicContact CE2-CG2 3.82Å; F6-T365 HydrophobicContact CZ-CG2 3.47Å; F6-T365 VanDerWaalsContact CZ-CG2 3.47Å; F6-T365 PolarHBondContact N-O 2.93Å; F6-T365 PolarHBondContact O-N 3.48Å; F6-T367 HydrophobicContact CE1-CG2 3.87Å; F6-T367 HydrophobicContact CZ-CG2 4.1Å
7G95.2Very high86.5Confident0 Ų037.4 Ų37.40%022%0.215CC..EExtended strand (participates in β ladder)trans111.4-152.9-174.500000114.1V34 Y328G7-V34 PolarHBondContact N-O 3.12Å; G7-V34 PolarHBondContact O-N 2.69Å; G7-Y328 CarbonylContact C-O 3.59Å; G7-Y328 VanDerWaalsContact CA-O 3.24Å; G7-Y328 WeakPolarHBondContact CA-O 3.27Å
8F92.4Very high85.1Confident16 Ų1642.9 Ų42.97%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-62.8131.3-179.3-171.6-102.4000111.8S10 F11 E32 W53 Y328 W363F8-S10 VanDerWaalsContact CE2-OG 3.31Å; F8-S10 WeakPolarHBondContact CE2-OG 3.04Å; F8-S10 VanDerWaalsContact CZ-CB 3.4Å; F8-S10 WeakPolarHBondContact CZ-OG 3.29Å; F8-F11 HydrophobicContact CD1-CD2 4.37Å; F8-F11 HydrophobicContact CD1-CE2 4.16Å; F8-F11 AromaticContact CE1-CD2 3.97Å; F8-F11 HydrophobicContact CE1-CD2 3.97Å; F8-F11 AromaticContact CE1-CE2 3.52Å; F8-F11 HydrophobicContact CE1-CE2 3.52Å; F8-F11 HydrophobicContact CE1-CZ 4.25Å; F8-E32 CarbonylContact C-O 3.15Å; F8-E32 WeakPolarHBondContact CA-O 3.22Å; F8-W53 HydrophobicContact CD1-CZ2 4.1Å; F8-W53 AromaticContact CE1-CZ2 3.68Å; F8-W53 HydrophobicContact CE1-CZ2 3.68Å; F8-W53 HydrophobicContact CZ-CZ2 4.05Å; F8-Y328 HydrophobicContact CB-CD2 4.21Å; F8-Y328 HydrophobicContact CB-CG 4.02Å; F8-Y328 AromaticContact CD2-CD1 3.54Å; F8-Y328 HydrophobicContact CD2-CD1 3.54Å; F8-Y328 HydrophobicContact CD2-CD2 4.1Å; F8-Y328 AromaticContact CD2-CE1 3.67Å; F8-Y328 HydrophobicContact CD2-CE1 3.67Å; F8-Y328 HydrophobicContact CD2-CE2 4.24Å; F8-Y328 AromaticContact CD2-CG 3.8Å; F8-Y328 HydrophobicContact CD2-CG 3.8Å; F8-Y328 HydrophobicContact CE2-CD1 4.23Å; F8-Y328 AromaticContact CE2-CE1 3.92Å; F8-Y328 HydrophobicContact CE2-CE1 3.92Å; F8-Y328 HydrophobicContact CG-CD2 4.46Å; F8-Y328 HydrophobicContact CG-CG 4.35Å; F8-W363 HydrophobicContact CB-CB 3.85Å; F8-W363 WeakPolarHBondContact CB-O 3.31Å; F8-W363 PolarHBondContact N-O 2.99Å
9N89.3Confident83.3Confident14 Ų1451.4 Ų51.48%0.07528%0.278CS..  trans-13921.9-171.5-166.939.9000115F11 A12 Q13 I14 E32 V34N9-F11 PolarHBondContact O-N 3.43Å; N9-A12 PolarHBondContact O-N 2.76Å; N9-Q13 PolarHBondContact OD1-N 3.43Å; N9-I14 HydrophobicContact CB-CD1 4.42Å; N9-I14 PolarHBondContact ND2-O 3.42Å; N9-I14 WeakPolarHBondContact OD1-CA 3.05Å; N9-I14 WeakPolarHBondContact OD1-CB 3.4Å; N9-I14 PolarHBondContact OD1-N 3.2Å; N9-I14 PolarHBondContact OD1-O 2.82Å; N9-E32 PolarHBondContact N-O 3.16Å; N9-V34 HydrophobicContact CB-CG2 3.79Å
10S85.6Confident81Confident47 Ų4754.4 Ų54.433%0.32930%0.303SS..THydrogen-bonded Turntrans-64.1-8178.3-55.40000114.1F8 E32F8-S10 VanDerWaalsContact CE2-OG 3.31Å; F8-S10 WeakPolarHBondContact CE2-OG 3.04Å; F8-S10 VanDerWaalsContact CZ-CB 3.4Å; F8-S10 WeakPolarHBondContact CZ-OG 3.29Å; S10-E32 WeakPolarHBondContact OG-CB 3.13Å; S10-E32 VanDerWaalsContact OG-CG 3.25Å; S10-E32 WeakPolarHBondContact OG-CG 3.26Å; S10-E32 PolarHBondContact OG-OE1 2.91Å
11F79.8Confident79.2Confident48 Ų4860.9 Ų60.921%0.21133%0.331CS..THydrogen-bonded Turntrans-106.614.7176-47.8-74000113.9F8 N9 Q13 W53 S54 F72F8-F11 HydrophobicContact CD1-CD2 4.37Å; F8-F11 HydrophobicContact CD1-CE2 4.16Å; F8-F11 AromaticContact CE1-CD2 3.97Å; F8-F11 HydrophobicContact CE1-CD2 3.97Å; F8-F11 AromaticContact CE1-CE2 3.52Å; F8-F11 HydrophobicContact CE1-CE2 3.52Å; F8-F11 HydrophobicContact CE1-CZ 4.25Å; N9-F11 PolarHBondContact O-N 3.43Å; F11-Q13 HydrophobicContact CB-CG 4.15Å; F11-Q13 PolarHBondContact O-N 3.16Å; F11-Q13 VanDerWaalsContact O-N 3.15Å; F11-W53 AromaticContact CE2-CD1 3.63Å; F11-W53 AromaticContact CE2-CE2 3.88Å; F11-W53 HydrophobicContact CE2-CZ2 4.42Å; F11-W53 AromaticContact CE2-NE1 3.16Å; F11-W53 AromaticContact CZ-CD1 3.9Å; F11-W53 AromaticContact CZ-NE1 3.27Å; F11-W53 VanDerWaalsContact CZ-NE1 3.27Å; F11-S54 VanDerWaalsContact CD2-CA 3.48Å; F11-F72 HydrophobicContact CD1-CB 4.27Å; F11-F72 HydrophobicContact CD1-CD2 4.01Å
12A80.5Confident77.2Confident51 Ų5166 Ų6642%0.42135%0.351SS..  trans53.834179.400000113.6N9 I14 I76N9-A12 PolarHBondContact O-N 2.76Å; A12-I14 PolarHBondContact O-N 3.23Å; A12-I76 HydrophobicContact CB-CD1 4.43Å
13Q82.6Confident74.6Confident0 Ų070.4 Ų70.40%038%0.376CS..  trans-70.3-23.4175.5-59.8129-51.100111.7N9 F11 W53 R56 F366N9-Q13 PolarHBondContact OD1-N 3.43Å; F11-Q13 HydrophobicContact CB-CG 4.15Å; F11-Q13 PolarHBondContact O-N 3.16Å; F11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-W53 PolarHBondContact NE2-O 2.97Å; Q13-R56 PolarHBondContact O-NH1 3Å; Q13-R56 VanDerWaalsContact O-NH1 3.11Å; Q13-F366 HydrophobicContact CB-CZ 4.28Å
14I86.3Confident72.2Confident2 Ų279.9 Ų79.91%0.0142%0.42CS..SBendtrans-117.7117178.8-54.6164.2000107.5N9 A12 V16 V34 V38 L40 F366N9-I14 HydrophobicContact CB-CD1 4.42Å; N9-I14 PolarHBondContact ND2-O 3.42Å; N9-I14 WeakPolarHBondContact OD1-CA 3.05Å; N9-I14 WeakPolarHBondContact OD1-CB 3.4Å; N9-I14 PolarHBondContact OD1-N 3.2Å; N9-I14 PolarHBondContact OD1-O 2.82Å; A12-I14 PolarHBondContact O-N 3.23Å; I14-V16 HydrophobicContact CG2-CG2 4.36Å; I14-V16 PolarHBondContact O-N 3.19Å; I14-V34 HydrophobicContact CD1-CB 4.3Å; I14-V34 HydrophobicContact CD1-CG2 4.31Å; I14-V34 HydrophobicContact CG2-CG1 4.33Å; I14-V34 HydrophobicContact CG2-CG2 4.36Å; I14-V38 HydrophobicContact CG2-CB 3.81Å; I14-V38 HydrophobicContact CG2-CG1 4.12Å; I14-V38 HydrophobicContact CG2-CG2 4.37Å; I14-L40 HydrophobicContact CB-CD2 4.49Å; I14-L40 HydrophobicContact CG2-CD2 4.12Å; I14-F366 HydrophobicContact CG1-CE1 3.93Å; I14-F366 HydrophobicContact CG1-CZ 4.33Å
15C81.8Confident69.4Low93 Ų9385 Ų8563%0.62846%0.456SS*.  trans-82.999.1178.7-57.70000109.5V38C15-V38 WeakPolarHBondContact O-CG1 3.39Å
16V79.4Confident66.6Low74 Ų7488.6 Ų88.645%0.44849%0.493SS..PPolyproline II helixtrans-84.5125.6176.2-174.80000108.5I14 D18 V34I14-V16 HydrophobicContact CG2-CG2 4.36Å; I14-V16 PolarHBondContact O-N 3.19Å; V16-D18 PolarHBondContact O-N 3.14Å; V16-V34 HydrophobicContact CG2-CG2 3.64Å
17P69.5Low63.5Low100 Ų10095.7 Ų95.765%0.64953%0.531SS*.PPolyproline II helixtrans-59.9133173.4-18.830.3000110.3K19P17-K19 PolarHBondContact O-N 2.72Å
18D60.7Low60.8Low138 Ų138101.1 Ų101.174%0.73858%0.576SS**PPolyproline II helixtrans-57.1124.7176.9-82.1-36.4000110.2V16 S20V16-D18 PolarHBondContact O-N 3.14Å; D18-S20 PolarHBondContact O-N 3.02Å
19K51.5Low58.4Low204 Ų204105.7 Ų105.789%0.88761%0.605SS**  trans-69114.4165.1-72.2-175.4179-179.60106.4P17 E21P17-K19 PolarHBondContact O-N 2.72Å; K19-E21 PolarHBondContact O-N 3.41Å
20S38Very low56.5Low111 Ų111108.2 Ų108.278%0.77663%0.634SS**  trans-39.4131.2177.854.60000112.9D18 K22D18-S20 PolarHBondContact O-N 3.02Å; S20-K22 PolarHBondContact O-N 3.15Å
21E43.6Very low55.2Low191 Ų191113 Ų11389%0.89365%0.651SS**SBendtrans-37.699.9173.9-62.9175.5160.800113.6K19K19-E21 PolarHBondContact O-N 3.41Å
22K39.2Very low55.2Low195 Ų195115.3 Ų115.385%0.84866%0.663SS**  trans-156.591.4147.1-76.9-159.3179.9173.30108.9S20S20-K22 PolarHBondContact O-N 3.15Å
23E34.5Very low55.7Low190 Ų190117.1 Ų117.189%0.88866%0.661SS**  trans167.5100.3132-92.9175.4179.200109.1S25E23-S25 PolarHBondContact O-N 3.45Å; E23-S25 VanDerWaalsContact O-N 3.17Å
24E41.5Very low56.2Low201 Ų201117.7 Ų117.794%0.93966%0.664SS**  trans-66.3100.9155.1-77.6-178.5145.100108.2
25S35.7Very low56.6Low110 Ų110118.8 Ų118.877%0.76967%0.672SS**  trans-176.4125.8133.762.30000111E23E23-S25 PolarHBondContact O-N 3.45Å; E23-S25 VanDerWaalsContact O-N 3.17Å
26G35Very low57.2Low75 Ų75117.1 Ų117.177%0.77366%0.659SS**SBendtrans79.2103.6157.100000117.6
27N31.5Very low58Low149 Ų149113.8 Ų113.880%0.79764%0.639SS**  trans57.798.6162-75-6.1000117.1V29N27-V29 VanDerWaalsContact C-N 3.27Å; N27-V29 HydrophobicContact CB-CG2 3.9Å; N27-V29 PolarHBondContact O-N 2.8Å
28A39.5Very low59.1Low114 Ų114110.2 Ų110.294%0.94262%0.615SS**  trans-62.482.716400000111.2
29V42Very low60.6Low113 Ų113105.6 Ų105.669%0.68559%0.59SS**  trans-119.113.4-179.1179.10000111.5N27N27-V29 VanDerWaalsContact C-N 3.27Å; N27-V29 HydrophobicContact CB-CG2 3.9Å; N27-V29 PolarHBondContact O-N 2.8Å
30G48.6Very low62.3Low66 Ų6696.1 Ų96.168%0.6855%0.549SS*.SBendtrans-97.3-9.4-173.600000117.5
31Q59.1Low63.9Low148 Ų14896.1 Ų96.169%0.69255%0.545SS*.SBendtrans-94.4-8.1-168.9-77.8-176.3-19.700115.3
32E78.6Confident64.6Low96 Ų9693.2 Ų93.245%0.44954%0.535SS..SBendtrans-86.5-17-175.2-57.2-164.3131.400114.2F8 N9 S10F8-E32 CarbonylContact C-O 3.15Å; F8-E32 WeakPolarHBondContact CA-O 3.22Å; N9-E32 PolarHBondContact N-O 3.16Å; S10-E32 WeakPolarHBondContact OG-CB 3.13Å; S10-E32 VanDerWaalsContact OG-CG 3.25Å; S10-E32 WeakPolarHBondContact OG-CG 3.26Å; S10-E32 PolarHBondContact OG-OE1 2.91Å
33K91.3Very high65.8Low90 Ų9084.7 Ų84.739%0.39150%0.498SS..EExtended strand (participates in β ladder)trans-123.3110.5-172.1-57.8-174.3179.9-163.30111.1E327 Y328 T336K33-E327 WeakPolarHBondContact CD-O 3.24Å; K33-E327 VanDerWaalsContact CE-O 3.32Å; K33-E327 WeakPolarHBondContact CE-O 3.35Å; K33-E327 PolarHBondContact NZ-O 2.91Å; K33-Y328 HydrophobicContact CD-CD1 4.37Å; K33-Y328 HydrophobicContact CG-CD1 4.14Å; K33-T336 HydrophobicContact CD-CG2 4.28Å
34V93.9Very high67Low11 Ų1187.5 Ų87.57%0.06750%0.501CS..EExtended strand (participates in β ladder)trans-100.898.2178.6-177.90000108.8F6 G7 N9 I14 V16 V36 V38F6-V34 CarbonylContact C-O 3.47Å; F6-V34 WeakPolarHBondContact CA-O 3.39Å; F6-V34 HydrophobicContact CB-CG1 4.28Å; F6-V34 WeakPolarHBondContact CB-O 3.32Å; G7-V34 PolarHBondContact N-O 3.12Å; G7-V34 PolarHBondContact O-N 2.69Å; N9-V34 HydrophobicContact CB-CG2 3.79Å; I14-V34 HydrophobicContact CD1-CB 4.3Å; I14-V34 HydrophobicContact CD1-CG2 4.31Å; I14-V34 HydrophobicContact CG2-CG1 4.33Å; I14-V34 HydrophobicContact CG2-CG2 4.36Å; V16-V34 HydrophobicContact CG2-CG2 3.64Å; V34-V36 VanDerWaalsContact CG1-O 3.27Å; V34-V36 WeakPolarHBondContact CG1-O 3.43Å; V34-V38 HydrophobicContact CG1-CB 4.43Å; V34-V38 HydrophobicContact CG1-CG2 3.56Å
35C94.1Very high68.2Low25 Ų2579.6 Ų79.617%0.16947%0.473CS..EExtended strand (participates in β ladder)trans-91.5-6.2-173.3-52.30000114G332 Q334 T336C35-G332 CarbonylContact O-C 2.98Å; C35-G332 VanDerWaalsContact O-CA 3.31Å; C35-G332 WeakPolarHBondContact O-CA 3.1Å; C35-Q334 WeakPolarHBondContact O-CA 3.14Å; C35-Q334 PolarHBondContact O-N 3.36Å; C35-T336 VanDerWaalsContact SG-CG2 3.5Å
36V94.4Very high70.1Confident58 Ų5884.3 Ų84.335%0.35247%0.474SS..EExtended strand (participates in β ladder)trans-120.9137.1178.8-1720000107.5V34 V38 Q334 F347V34-V36 VanDerWaalsContact CG1-O 3.27Å; V34-V36 WeakPolarHBondContact CG1-O 3.43Å; V36-V38 PolarHBondContact O-N 2.84Å; V36-Q334 HydrophobicContact CG2-CB 4.15Å; V36-Q334 HydrophobicContact CG2-CG 3.97Å; V36-F347 HydrophobicContact CG1-CD2 3.86Å; V36-F347 HydrophobicContact CG1-CE2 4.21Å
37P95.9Very high72.3Confident5 Ų581 Ų813%0.03244%0.439CS..EExtended strand (participates in β ladder)trans-55.7126.3176.1-24.934.3000112.3F4 F6 V345 F347 F348F4-P37 HydrophobicContact CB-CB 4.18Å; F4-P37 HydrophobicContact CD1-CB 4.4Å; F6-P37 HydrophobicContact CD1-CB 3.79Å; F6-P37 HydrophobicContact CD1-CG 3.77Å; F6-P37 HydrophobicContact CE1-CB 4.23Å; F6-P37 HydrophobicContact CE1-CG 4Å; F6-P37 HydrophobicContact CG-CG 4.34Å; P37-V345 HydrophobicContact CG-CG1 4.06Å; P37-F347 HydrophobicContact CB-CD1 3.57Å; P37-F347 HydrophobicContact CB-CE1 3.77Å; P37-F347 HydrophobicContact CB-CG 4.05Å; P37-F347 HydrophobicContact CB-CZ 4.39Å; P37-F347 HydrophobicContact CG-CB 3.88Å; P37-F347 HydrophobicContact CG-CD1 3.68Å; P37-F347 HydrophobicContact CG-CE1 4.39Å; P37-F347 HydrophobicContact CG-CG 3.79Å; P37-F347 WeakPolarHBondContact O-CZ 3.45Å; P37-F348 HydrophobicContact CB-CE1 4.39Å; P37-F348 HydrophobicContact CB-CE2 4.07Å; P37-F348 HydrophobicContact CB-CZ 3.64Å; P37-F348 HydrophobicContact CG-CE2 3.72Å; P37-F348 HydrophobicContact CG-CZ 3.85Å
38V93.6Very high74.9Confident25 Ų2577.5 Ų77.515%0.15242%0.417CS..EExtended strand (participates in β ladder)trans-110.5128.5178.3176.70000109.4F4 G5 I14 C15 V34 V36 L40F4-V38 CarbonylContact C-O 3.4Å; F4-V38 WeakPolarHBondContact CA-O 3.37Å; G5-V38 PolarHBondContact N-O 3.47Å; G5-V38 PolarHBondContact O-N 2.76Å; I14-V38 HydrophobicContact CG2-CB 3.81Å; I14-V38 HydrophobicContact CG2-CG1 4.12Å; I14-V38 HydrophobicContact CG2-CG2 4.37Å; C15-V38 WeakPolarHBondContact O-CG1 3.39Å; V34-V38 HydrophobicContact CG1-CB 4.43Å; V34-V38 HydrophobicContact CG1-CG2 3.56Å; V36-V38 PolarHBondContact O-N 2.84Å; V38-L40 PolarHBondContact O-N 3.02Å
39D91.9Very high77.2Confident40 Ų4072.1 Ų72.121%0.21437%0.372CS..EExtended strand (participates in β ladder)trans-63.6127.8175.5-173.412.5000110.7R2 F4 V41R2-D39 IonicContact CZ-OD2 2.87Å; R2-D39 IonicContact NE-OD1 3.54Å; R2-D39 IonicContact NE-OD2 3.57Å; R2-D39 PolarHBondContact NE-OD2 3.07Å; R2-D39 IonicContact NH2-OD2 3.8Å; R2-D39 PolarHBondContact NH2-OD2 2.91Å; F4-D39 HydrophobicContact CD1-CB 4.01Å; F4-D39 HydrophobicContact CE1-CB 3.76Å; F4-D39 HydrophobicContact CZ-CB 4.4Å; D39-V41 VanDerWaalsContact C-N 3.32Å; D39-V41 PolarHBondContact O-N 2.85Å; D39-V41 VanDerWaalsContact O-N 3.07Å
40L86.9Confident79.5Confident6 Ų669.9 Ų69.93%0.03135%0.351CS..  trans-84.281.9175.7-55177.3000107.4W3 I14 V38 N42 H43 I49 F366W3-L40 HydrophobicContact CB-CB 4.36Å; W3-L40 HydrophobicContact CB-CD1 4Å; W3-L40 VanDerWaalsContact O-CB 3.28Å; W3-L40 WeakPolarHBondContact O-CB 3.37Å; W3-L40 WeakPolarHBondContact O-CG 3.31Å; W3-L40 PolarHBondContact O-N 3.38Å; I14-L40 HydrophobicContact CB-CD2 4.49Å; I14-L40 HydrophobicContact CG2-CD2 4.12Å; V38-L40 PolarHBondContact O-N 3.02Å; L40-N42 PolarHBondContact O-N 2.81Å; L40-N42 VanDerWaalsContact O-N 3.12Å; L40-H43 PolarHBondContact O-CD2 2.84Å; L40-I49 HydrophobicContact CD1-CD1 3.74Å; L40-F366 HydrophobicContact CD1-CD1 3.68Å; L40-F366 HydrophobicContact CD1-CE1 4.08Å
41V70.4Confident81.4Confident111 Ų11167.7 Ų67.767%0.67333%0.327SS*.THydrogen-bonded Turntrans-52.8119179.5-174.70000109.1D39D39-V41 VanDerWaalsContact C-N 3.32Å; D39-V41 PolarHBondContact O-N 2.85Å; D39-V41 VanDerWaalsContact O-N 3.07Å
42N59.7Low82.7Confident129 Ų12961.2 Ų61.269%0.6930%0.298SS*.THydrogen-bonded Turntrans126.13.8173.4-67.7-30.3000116.7L40 R44L40-N42 PolarHBondContact O-N 2.81Å; L40-N42 VanDerWaalsContact O-N 3.12Å; N42-R44 PolarHBondContact O-N 2.95Å
43H64.8Low82.9Confident17 Ų1760.2 Ų60.28%0.07929%0.29CS..  trans-97.665.1176.4-55.2-65.1000112.7L40 G45 S58 F60L40-H43 PolarHBondContact O-CD2 2.84Å; H43-G45 PolarHBondContact O-N 3.09Å; H43-S58 PolarHBondContact CE1-OG 3.09Å; H43-S58 VanDerWaalsContact CE1-OG 3.28Å; H43-F60 AromaticContact ND1-CZ 3.82Å
44R57.6Low82.5Confident249 Ų24956.5 Ų56.594%0.9428%0.276SS*.  trans-86.1102.4168.6-68.8-169.4-168.9-146.83.8109.1N42N42-R44 PolarHBondContact O-N 2.95Å
45G67.3Low82.2Confident35 Ų3557.4 Ų57.436%0.36128%0.278SS..SBendtrans149.2-171.517600000113.4H43 S47H43-G45 PolarHBondContact O-N 3.09Å; G45-S47 PolarHBondContact O-N 2.99Å
46R76Confident81.9Confident208 Ų20857.4 Ų57.479%0.78527%0.274SS*.SBendtrans-80.2106.2166.6-70.1-179.4-179.3175.10.3107.4L61R46-L61 HydrophobicContact CB-CB 4.36Å; R46-L61 PolarHBondContact O-N 3.42Å
47S81.4Confident81.6Confident5 Ų554.7 Ų54.74%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-133.9148.3176.964.50000112W3 G45 L59W3-S47 WeakPolarHBondContact CZ2-O 3.48Å; W3-S47 PolarHBondContact NE1-O 2.82Å; W3-S47 PolarHBondContact NE1-OG 2.84Å; W3-S47 VanDerWaalsContact NE1-OG 3.16Å; G45-S47 PolarHBondContact O-N 2.99Å; S47-L59 CarbonylContact C-O 3.45Å; S47-L59 WeakPolarHBondContact CA-O 3.17Å; S47-L59 VanDerWaalsContact CB-O 3.29Å; S47-L59 WeakPolarHBondContact CB-O 3.39Å
48K86.1Confident81.1Confident77 Ų7754.6 Ų54.634%0.33526%0.258SS..EExtended strand (participates in β ladder)trans-112144.5171.3-66.8-179.2179.71740109.8S58 L59 L61K48-S58 WeakPolarHBondContact O-CA 3.43Å; K48-L59 HydrophobicContact CB-CB 4.4Å; K48-L59 PolarHBondContact N-O 3.11Å; K48-L59 PolarHBondContact O-N 3.01Å; K48-L61 HydrophobicContact CD-CD1 4.03Å; K48-L61 HydrophobicContact CG-CD1 4.1Å
49I87.9Confident80.8Confident1 Ų153.5 Ų53.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-105.9141.1172-66.9-172.4000109.8W3 L40 R56 A57 F366W3-I49 HydrophobicContact CB-CD1 3.67Å; W3-I49 HydrophobicContact CD2-CB 4.24Å; W3-I49 HydrophobicContact CD2-CD1 3.38Å; W3-I49 HydrophobicContact CD2-CG1 3.57Å; W3-I49 HydrophobicContact CE3-CB 3.93Å; W3-I49 HydrophobicContact CE3-CD1 3.41Å; W3-I49 VanDerWaalsContact CE3-CD1 3.41Å; W3-I49 HydrophobicContact CE3-CG1 3.7Å; W3-I49 HydrophobicContact CG-CD1 3.53Å; W3-I49 HydrophobicContact CG-CG1 4.03Å; W3-I49 HydrophobicContact CH2-CB 3.92Å; W3-I49 HydrophobicContact CH2-CG1 4.26Å; W3-I49 HydrophobicContact CZ2-CB 4.24Å; W3-I49 HydrophobicContact CZ2-CG1 4.15Å; W3-I49 HydrophobicContact CZ3-CB 3.76Å; W3-I49 HydrophobicContact CZ3-CD1 4.17Å; W3-I49 HydrophobicContact CZ3-CG1 4.04Å; L40-I49 HydrophobicContact CD1-CD1 3.74Å; I49-R56 HydrophobicContact CG2-CG 3.79Å; I49-A57 CarbonylContact C-O 3.59Å; I49-A57 WeakPolarHBondContact CA-O 3.45Å; I49-F366 HydrophobicContact CG2-CB 4.08Å; I49-F366 HydrophobicContact CG2-CD2 4.29Å; I49-F366 HydrophobicContact CG2-CG 4.06Å
50R89.6Confident80.5Confident65 Ų6552.1 Ų52.125%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-125.2133.4166.6-60.4-79.3-175.1-110.59.6107.1R56 A57 D94 A95 I97R50-R56 CarbonylContact O-C 3.55Å; R50-R56 WeakPolarHBondContact O-CA 3.1Å; R50-A57 HydrophobicContact CB-CB 4.25Å; R50-A57 PolarHBondContact N-O 2.81Å; R50-A57 PolarHBondContact O-N 2.89Å; R50-D94 IonicContact CZ-OD1 2.77Å; R50-D94 IonicContact NE-OD1 3.79Å; R50-D94 PolarHBondContact NE-OD1 3Å; R50-D94 IonicContact NH2-OD1 3.98Å; R50-D94 PolarHBondContact NH2-OD1 3.1Å; R50-D94 IonicContact NH2-OD2 3.77Å; R50-D94 PolarHBondContact NH2-OD2 3.42Å; R50-D94 VanDerWaalsContact NH2-OD2 3.11Å; R50-A95 VanDerWaalsContact CD-O 3.26Å; R50-A95 WeakPolarHBondContact CD-O 3.45Å; R50-A95 WeakPolarHBondContact CG-O 3.19Å; R50-A95 PolarHBondContact NE-O 2.62Å; R50-I97 HydrophobicContact CB-CG2 3.88Å
51A89.1Confident80.2Confident20 Ų2054.5 Ų54.517%0.16526%0.255CS..EExtended strand (participates in β ladder)trans-128143.3-17600000110.2F366A51-F366 HydrophobicContact CB-CD2 3.56Å; A51-F366 HydrophobicContact CB-CE2 3.44Å; A51-F366 VanDerWaalsContact CB-CE2 3.44Å
52S87Confident80.7Confident13 Ų1353.3 Ų53.39%0.09125%0.245CC..  trans-120.3180164.471.80000108.7S54 R55 S98S52-S54 VanDerWaalsContact C-N 3.27Å; S52-S54 PolarHBondContact O-N 3.37Å; S52-R55 PolarHBondContact N-O 3.48Å; S52-R55 PolarHBondContact OG-N 3.03Å; S52-R55 PolarHBondContact OG-O 2.86Å; S52-S98 PolarHBondContact OG-O 3.19Å
53W82.6Confident81.1Confident75 Ų7556.8 Ų56.828%0.28426%0.257SS..SBendtrans-50.6-45.3177167.4-85.3000112.6F8 F11 Q13 E99 W363F8-W53 HydrophobicContact CD1-CZ2 4.1Å; F8-W53 AromaticContact CE1-CZ2 3.68Å; F8-W53 HydrophobicContact CE1-CZ2 3.68Å; F8-W53 HydrophobicContact CZ-CZ2 4.05Å; F11-W53 AromaticContact CE2-CD1 3.63Å; F11-W53 AromaticContact CE2-CE2 3.88Å; F11-W53 HydrophobicContact CE2-CZ2 4.42Å; F11-W53 AromaticContact CE2-NE1 3.16Å; F11-W53 AromaticContact CZ-CD1 3.9Å; F11-W53 AromaticContact CZ-NE1 3.27Å; F11-W53 VanDerWaalsContact CZ-NE1 3.27Å; Q13-W53 PolarHBondContact NE2-O 2.97Å; W53-E99 WeakPolarHBondContact CB-OE1 3.43Å; W53-W363 AromaticContact CD2-CD1 3.94Å; W53-W363 AromaticContact CE3-CD1 2.97Å; W53-W363 HydrophobicContact CE3-CG 4.24Å; W53-W363 AromaticContact CE3-NE1 2.93Å; W53-W363 AromaticContact CH2-CD1 3.6Å; W53-W363 HydrophobicContact CH2-CG 4.37Å; W53-W363 AromaticContact CH2-NE1 3.84Å; W53-W363 AromaticContact CZ3-CD1 2.85Å; W53-W363 HydrophobicContact CZ3-CD2 4.31Å; W53-W363 AromaticContact CZ3-CE2 3.63Å; W53-W363 AromaticContact CZ3-CG 3.88Å; W53-W363 HydrophobicContact CZ3-CG 3.88Å; W53-W363 HydrophobicContact CZ3-CZ2 4.42Å; W53-W363 AromaticContact CZ3-NE1 2.74Å
54S82.9Confident81.5Confident12 Ų1262.2 Ų62.28%0.08429%0.287CS..SBendtrans-114.8-6.6-173.257.10000115.9F11 S52 G71F11-S54 VanDerWaalsContact CD2-CA 3.48Å; S52-S54 VanDerWaalsContact C-N 3.27Å; S52-S54 PolarHBondContact O-N 3.37Å; S54-G71 WeakPolarHBondContact O-CA 2.77Å
55R86.3Confident82.6Confident30 Ų3051.3 Ų51.311%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-135.7160.5-175.2-54.3-171.2-172.4-121.210.4113.1S52 A70 F72 I97 E99 L115S52-R55 PolarHBondContact N-O 3.48Å; S52-R55 PolarHBondContact OG-N 3.03Å; S52-R55 PolarHBondContact OG-O 2.86Å; R55-A70 CarbonylContact C-O 3.5Å; R55-A70 WeakPolarHBondContact CA-O 3.38Å; R55-F72 PolarHBondContact NH1-O 2.79Å; R55-I97 HydrophobicContact CB-CD1 3.48Å; R55-I97 VanDerWaalsContact CB-CD1 3.48Å; R55-I97 HydrophobicContact CB-CG1 4.05Å; R55-I97 HydrophobicContact CG-CD1 4.4Å; R55-E99 VanDerWaalsContact CZ-O 3.29Å; R55-E99 PolarHBondContact NE-O 3.46Å; R55-E99 PolarHBondContact NH2-O 3.38Å; R55-L115 VanDerWaalsContact CD-CD1 3.42Å
56R88.3Confident83.4Confident24 Ų2451.1 Ų51.19%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-134.9129173.7-176.1-174.565.1177.7-5.3109.5Q13 I49 R50 L69 A70Q13-R56 PolarHBondContact O-NH1 3Å; Q13-R56 VanDerWaalsContact O-NH1 3.11Å; I49-R56 HydrophobicContact CG2-CG 3.79Å; R50-R56 CarbonylContact O-C 3.55Å; R50-R56 WeakPolarHBondContact O-CA 3.1Å; R56-L69 CarbonylContact O-C 3.51Å; R56-L69 WeakPolarHBondContact O-CA 3.38Å; R56-A70 PolarHBondContact N-O 3.12Å; R56-A70 PolarHBondContact O-N 3.19Å
57A87.8Confident83.9Confident1 Ų142 Ų421%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-106.3131.6167.400000109.9I49 R50 V67 R68 L69 I97 L102I49-A57 CarbonylContact C-O 3.59Å; I49-A57 WeakPolarHBondContact CA-O 3.45Å; R50-A57 HydrophobicContact CB-CB 4.25Å; R50-A57 PolarHBondContact N-O 2.81Å; R50-A57 PolarHBondContact O-N 2.89Å; A57-V67 HydrophobicContact CB-CG1 4.09Å; A57-R68 CarbonylContact C-O 3.57Å; A57-R68 WeakPolarHBondContact CA-O 2.84Å; A57-L69 HydrophobicContact CB-CD2 3.62Å; A57-I97 HydrophobicContact CB-CB 4.07Å; A57-I97 HydrophobicContact CB-CD1 3.98Å; A57-I97 HydrophobicContact CB-CG2 4.05Å; A57-L102 HydrophobicContact CB-CD1 4.44Å
58S86.3Confident84Confident4 Ų448.5 Ų48.53%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-112113.8173-57.50000108.5H43 K48 V67 R68H43-S58 PolarHBondContact CE1-OG 3.09Å; H43-S58 VanDerWaalsContact CE1-OG 3.28Å; K48-S58 WeakPolarHBondContact O-CA 3.43Å; S58-V67 CarbonylContact O-C 3.45Å; S58-V67 WeakPolarHBondContact O-CA 3.28Å; S58-R68 PolarHBondContact N-O 2.87Å; S58-R68 PolarHBondContact O-N 2.57Å
59L86.5Confident83.8Confident2 Ų246.4 Ų46.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-94.4121176.2174.365.8000108.9S47 K48 L61 V67 C92S47-L59 CarbonylContact C-O 3.45Å; S47-L59 WeakPolarHBondContact CA-O 3.17Å; S47-L59 VanDerWaalsContact CB-O 3.29Å; S47-L59 WeakPolarHBondContact CB-O 3.39Å; K48-L59 HydrophobicContact CB-CB 4.4Å; K48-L59 PolarHBondContact N-O 3.11Å; K48-L59 PolarHBondContact O-N 3.01Å; L59-L61 HydrophobicContact CD1-CD2 4.33Å; L59-L61 HydrophobicContact CD2-CD2 3.75Å; L59-L61 HydrophobicContact CD2-CG 4.31Å; L59-L61 HydrophobicContact CG-CD2 3.85Å; L59-L61 HydrophobicContact CG-CG 4.17Å; L59-V67 HydrophobicContact CB-CG2 4.42Å; L59-V67 HydrophobicContact CD1-CG2 3.54Å; L59-C92 HydrophobicContact CD1-CB 3.83Å
60F85.2Confident83.4Confident10 Ų1047.5 Ų47.54%0.04423%0.234CC..EExtended strand (participates in β ladder)trans-94.3128.7173.2-63.1-96.2000107.7H43 S65 C66 R68H43-F60 AromaticContact ND1-CZ 3.82Å; F60-S65 CarbonylContact O-C 3.49Å; F60-S65 WeakPolarHBondContact O-CA 3.27Å; F60-S65 VanDerWaalsContact O-CB 3.31Å; F60-S65 WeakPolarHBondContact O-CB 3.29Å; F60-C66 PolarHBondContact N-O 2.95Å; F60-C66 PolarHBondContact O-N 2.86Å; F60-C66 VanDerWaalsContact O-N 3.12Å; F60-R68 HydrophobicContact CD2-CG 4.26Å; F60-R68 HydrophobicContact CE2-CB 4.05Å; F60-R68 HydrophobicContact CE2-CG 3.67Å
61L80.8Confident82.7Confident56 Ų5645 Ų4529%0.29323%0.229SC..  trans-109.236.1-174.5-66.7172.7000111.9R46 K48 L59 S65R46-L61 HydrophobicContact CB-CB 4.36Å; R46-L61 PolarHBondContact O-N 3.42Å; K48-L61 HydrophobicContact CD-CD1 4.03Å; K48-L61 HydrophobicContact CG-CD1 4.1Å; L59-L61 HydrophobicContact CD1-CD2 4.33Å; L59-L61 HydrophobicContact CD2-CD2 3.75Å; L59-L61 HydrophobicContact CD2-CG 4.31Å; L59-L61 HydrophobicContact CG-CD2 3.85Å; L59-L61 HydrophobicContact CG-CG 4.17Å; L61-S65 WeakPolarHBondContact CA-OG 3.45Å
62D80.8Confident81.2Confident86 Ų8651.2 Ų51.246%0.4625%0.252SS..SBendtrans-90.2-171.1175.252.817.9000111.5D64 S65D62-D64 PolarHBondContact O-N 2.84Å; D62-D64 VanDerWaalsContact O-N 3.16Å; D62-S65 PolarHBondContact O-N 3.16Å; D62-S65 PolarHBondContact O-OG 3.12Å; D62-S65 PolarHBondContact OD1-N 2.99Å
63E69.3Low79.3Confident202 Ų20256.5 Ų56.594%0.94429%0.287SS*.THydrogen-bonded Turntrans-56.2-31.4-176.2-65-175167.200112.8
64D73.6Confident77.7Confident131 Ų13155.5 Ų55.570%0.70130%0.295SS*.THydrogen-bonded Turntrans-101.719.3179-70.3-35.4000113.3D62 C66D62-D64 PolarHBondContact O-N 2.84Å; D62-D64 VanDerWaalsContact O-N 3.16Å; D64-C66 PolarHBondContact O-N 3.12Å
65S80.1Confident75.5Confident20 Ų2059.5 Ų59.514%0.1432%0.323CS..  trans-18.9108-168.7-70.20000114.5F60 L61 D62 S90 G91 C92F60-S65 CarbonylContact O-C 3.49Å; F60-S65 WeakPolarHBondContact O-CA 3.27Å; F60-S65 VanDerWaalsContact O-CB 3.31Å; F60-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact CA-OG 3.45Å; D62-S65 PolarHBondContact O-N 3.16Å; D62-S65 PolarHBondContact O-OG 3.12Å; D62-S65 PolarHBondContact OD1-N 2.99Å; S65-S90 CarbonylContact O-C 3.55Å; S65-S90 WeakPolarHBondContact O-CA 3.49Å; S65-G91 PolarHBondContact O-N 3.24Å; S65-C92 WeakPolarHBondContact CB-O 3.5Å; S65-C92 PolarHBondContact O-N 3.44Å
66C84.8Confident73.2Confident32 Ų3265.6 Ų65.622%0.21636%0.357CS..  trans-132.3162.9-170.568.30000112.8F60 D64F60-C66 PolarHBondContact N-O 2.95Å; F60-C66 PolarHBondContact O-N 2.86Å; F60-C66 VanDerWaalsContact O-N 3.12Å; D64-C66 PolarHBondContact O-N 3.12Å
67V85.3Confident70.5Confident15 Ų1567.5 Ų67.59%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-113.7129.5178.5-179.70000110.8A57 S58 L59 L69 T89 C92 A95 L102 L104A57-V67 HydrophobicContact CB-CG1 4.09Å; S58-V67 CarbonylContact O-C 3.45Å; S58-V67 WeakPolarHBondContact O-CA 3.28Å; L59-V67 HydrophobicContact CB-CG2 4.42Å; L59-V67 HydrophobicContact CD1-CG2 3.54Å; V67-L69 HydrophobicContact CG1-CD2 4.16Å; V67-T89 HydrophobicContact CB-CG2 3.99Å; V67-T89 PolarHBondContact N-OG1 2.87Å; V67-C92 HydrophobicContact CG2-CB 4.12Å; V67-A95 HydrophobicContact CG1-CB 4.47Å; V67-A95 HydrophobicContact CG2-CB 4.03Å; V67-L102 HydrophobicContact CG1-CD1 4.36Å; V67-L102 HydrophobicContact CG1-CD2 4.42Å; V67-L104 HydrophobicContact CB-CD2 4.34Å; V67-L104 HydrophobicContact CG2-CD2 3.77Å
68R83.3Confident68.2Low142 Ų14273.1 Ų73.154%0.53641%0.413SS..EExtended strand (participates in β ladder)trans-111.1137.1171.5-62.7-174-175.8156.81.6110.8A57 S58 F60A57-R68 CarbonylContact C-O 3.57Å; A57-R68 WeakPolarHBondContact CA-O 2.84Å; S58-R68 PolarHBondContact N-O 2.87Å; S58-R68 PolarHBondContact O-N 2.57Å; F60-R68 HydrophobicContact CD2-CG 4.26Å; F60-R68 HydrophobicContact CE2-CB 4.05Å; F60-R68 HydrophobicContact CE2-CG 3.67Å
69L82.1Confident65.7Low34 Ų3480.6 Ų80.618%0.17845%0.452CS..EExtended strand (participates in β ladder)trans-109.4144.6-179.7-62.8-174.3000111.7R56 A57 V67 P84 I97 L102 L115R56-L69 CarbonylContact O-C 3.51Å; R56-L69 WeakPolarHBondContact O-CA 3.38Å; A57-L69 HydrophobicContact CB-CD2 3.62Å; V67-L69 HydrophobicContact CG1-CD2 4.16Å; L69-P84 HydrophobicContact CB-CB 4.4Å; L69-I97 HydrophobicContact CD2-CD1 3.63Å; L69-L102 HydrophobicContact CD1-CD2 3.94Å; L69-L102 HydrophobicContact CD2-CD1 4.19Å; L69-L102 HydrophobicContact CD2-CD2 4.12Å; L69-L102 HydrophobicContact CG-CD2 4.29Å; L69-L115 HydrophobicContact CD1-CD2 3.65Å
70A79.2Confident63Low24 Ų2487 Ų8720%0.19848%0.483CS..EExtended strand (participates in β ladder)trans-139.4153.1170.100000110.6R55 R56R55-A70 CarbonylContact C-O 3.5Å; R55-A70 WeakPolarHBondContact CA-O 3.38Å; R56-A70 PolarHBondContact N-O 3.12Å; R56-A70 PolarHBondContact O-N 3.19Å
71G75.1Confident60.5Low12 Ų1292.7 Ų92.712%0.12452%0.523CS..EExtended strand (participates in β ladder)trans128.2-170.7-176.800000112.9S54 C73 A74S54-G71 WeakPolarHBondContact O-CA 2.77Å; G71-C73 PolarHBondContact O-N 2.84Å; G71-A74 PolarHBondContact O-N 2.84Å
72F58.6Low58.3Low151 Ų15198.4 Ų98.466%0.66255%0.546SS*.THydrogen-bonded Turntrans-54.2128.2-177.1-146.1-100.5000110.9F11 R55F11-F72 HydrophobicContact CD1-CB 4.27Å; F11-F72 HydrophobicContact CD1-CD2 4.01Å; R55-F72 PolarHBondContact NH1-O 2.79Å
73C46.8Very low56.4Low123 Ų12397.9 Ų97.983%0.83155%0.549SS*.THydrogen-bonded Turntrans88-0.7-167.8-102.30000119.4G71 S75G71-C73 PolarHBondContact O-N 2.84Å; C73-S75 PolarHBondContact O-N 3.28Å
74A48.5Very low55.2Low54 Ų5491.7 Ų91.745%0.44653%0.526SS..SBendtrans-92.780164.300000109.4G71 I76G71-A74 PolarHBondContact O-N 2.84Å; A74-I76 PolarHBondContact O-N 2.79Å; A74-I76 VanDerWaalsContact O-N 3.14Å
75S37.3Very low54.1Low97 Ų9787.3 Ų87.368%0.67850%0.504SS*.  trans-55.3121.2-175.9175.50000111.6C73 S77C73-S75 PolarHBondContact O-N 3.28Å; S75-S77 PolarHBondContact O-N 2.77Å; S75-S77 PolarHBondContact OG-OG 2.78Å
76I37.1Very low52.8Low158 Ų15890.1 Ų90.181%0.8152%0.521SS*.  trans-68.280.1161.1-56.7164.5000106.4A12 A74A12-I76 HydrophobicContact CB-CD1 4.43Å; A74-I76 PolarHBondContact O-N 2.79Å; A74-I76 VanDerWaalsContact O-N 3.14Å
77S32.9Very low51.8Low64 Ų6489.3 Ų89.345%0.44852%0.515SS..  trans-134.9117.6162.255.40000108.8S75 N79S75-S77 PolarHBondContact O-N 2.77Å; S75-S77 PolarHBondContact OG-OG 2.78Å; S77-N79 PolarHBondContact O-N 2.83Å
78S38.1Very low51Low119 Ų11994.1 Ų94.183%0.83254%0.54SS*.THydrogen-bonded Turntrans-69.423.2-167.246.30000115.6
79N34.6Very low50.8Low160 Ų16088.4 Ų88.486%0.85652%0.521SS*.THydrogen-bonded Turntrans-158.712177.4-97.8-25.4000117.3S77S77-N79 PolarHBondContact O-N 2.83Å
80E30.4Very low50.8Low138 Ų13889.6 Ų89.665%0.64553%0.532SS*.  trans-128.3111.6167.4-71.1-162.4165.200110.4F82E80-F82 HydrophobicContact CB-CD2 4.28Å; E80-F82 PolarHBondContact O-N 2.81Å
81S31.3Very low51Low128 Ų12890 Ų9090%0.89554%0.538SS*.  trans-72.171174.341.30000110.2S83S81-S83 VanDerWaalsContact C-N 3.35Å; S81-S83 PolarHBondContact O-N 3.33Å
82F36.4Very low51.5Low176 Ų17689.4 Ų89.477%0.77253%0.533SS*.  trans-70.8100.4159.8-90.7-85.9000107.9E80 P84E80-F82 HydrophobicContact CB-CD2 4.28Å; E80-F82 PolarHBondContact O-N 2.81Å; F82-P84 WeakPolarHBondContact O-CD 3.17Å; F82-P84 VanDerWaalsContact O-N 3.12Å
83S40Very low52.9Low75 Ų7587.9 Ų87.952%0.52453%0.527SS..  trans-51.1117.6165.9-175.70000107.2S81 V85S81-S83 VanDerWaalsContact C-N 3.35Å; S81-S83 PolarHBondContact O-N 3.33Å; S83-V85 PolarHBondContact O-N 3.13Å
84P44.8Very low54.8Low72 Ų7284.8 Ų84.847%0.46850%0.502SS..SBendtrans-52.6140.316126.7-31.7000105.6L69 F82L69-P84 HydrophobicContact CB-CB 4.4Å; F82-P84 WeakPolarHBondContact O-CD 3.17Å; F82-P84 VanDerWaalsContact O-N 3.12Å
85V49.6Very low56.7Low39 Ų3982.4 Ų82.424%0.23648%0.483CS..SBendtrans6.8114.5-177.4-165.90000113S83 V87 W113 L115S83-V85 PolarHBondContact O-N 3.13Å; V85-V87 HydrophobicContact CB-CG2 3.76Å; V85-V87 HydrophobicContact CG1-CG2 3.21Å; V85-V87 PolarHBondContact O-N 3.07Å; V85-W113 HydrophobicContact CG1-CE3 3.83Å; V85-W113 HydrophobicContact CG1-CZ3 4.34Å; V85-L115 HydrophobicContact CG2-CD2 3.74Å
86T52.3Low59.1Low79 Ų7980.2 Ų80.249%0.48547%0.471SS..  trans-66.341.5-178.220.20000113.2
87V64.1Low61.4Low16 Ų1673.7 Ų73.710%0.09744%0.437CS..  trans-71.7122.9168.5-169.10000107.3V85 T89 L104 W113V85-V87 HydrophobicContact CB-CG2 3.76Å; V85-V87 HydrophobicContact CG1-CG2 3.21Å; V85-V87 PolarHBondContact O-N 3.07Å; V87-T89 HydrophobicContact CB-CG2 4.02Å; V87-T89 HydrophobicContact CG1-CG2 3.97Å; V87-T89 PolarHBondContact O-N 2.8Å; V87-L104 HydrophobicContact CG1-CD1 3.54Å; V87-W113 HydrophobicContact CB-CD2 4.28Å; V87-W113 HydrophobicContact CB-CH2 4.34Å; V87-W113 HydrophobicContact CB-CZ2 4.14Å; V87-W113 HydrophobicContact CG1-CD2 4.06Å; V87-W113 VanDerWaalsContact CG1-CE2 3.41Å; V87-W113 HydrophobicContact CG1-CH2 4.16Å; V87-W113 HydrophobicContact CG1-CZ2 3.5Å; V87-W113 HydrophobicContact CG2-CB 4.46Å; V87-W113 HydrophobicContact CG2-CD2 3.31Å; V87-W113 HydrophobicContact CG2-CE3 3.41Å; V87-W113 VanDerWaalsContact CG2-CE3 3.41Å; V87-W113 HydrophobicContact CG2-CG 3.81Å; V87-W113 HydrophobicContact CG2-CH2 4Å; V87-W113 HydrophobicContact CG2-CZ2 3.96Å; V87-W113 HydrophobicContact CG2-CZ3 3.73Å
88N69.6Low63.8Low116 Ų11672.9 Ų72.962%0.6243%0.432SS*.  trans-69.6102.5162.4-175.411.9000108.3S90N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 VanDerWaalsContact CG-OG 3.3Å; N88-S90 PolarHBondContact ND2-OG 3.41Å; N88-S90 VanDerWaalsContact ND2-OG 3.07Å; N88-S90 WeakPolarHBondContact OD1-CB 3.47Å; N88-S90 PolarHBondContact OD1-N 3.42Å; N88-S90 VanDerWaalsContact OD1-N 3.14Å; N88-S90 PolarHBondContact OD1-OG 2.85Å
89T78.8Confident65.7Low21 Ų2171.6 Ų71.613%0.12941%0.413CS..  trans-894.8-179.860.50000112.6V67 V87 G91 C92 L104V67-T89 HydrophobicContact CB-CG2 3.99Å; V67-T89 PolarHBondContact N-OG1 2.87Å; V87-T89 HydrophobicContact CB-CG2 4.02Å; V87-T89 HydrophobicContact CG1-CG2 3.97Å; V87-T89 PolarHBondContact O-N 2.8Å; T89-G91 PolarHBondContact O-N 3.06Å; T89-C92 WeakPolarHBondContact O-CB 3.36Å; T89-C92 PolarHBondContact O-N 3Å; T89-L104 HydrophobicContact CG2-CD1 3.88Å
90S81.1Confident67.9Low59 Ų5966.4 Ų66.441%0.41339%0.387SS..THydrogen-bonded Turntrans-59.5130.1-178.367.60000111.9S65 N88 C92S65-S90 CarbonylContact O-C 3.55Å; S65-S90 WeakPolarHBondContact O-CA 3.49Å; N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 VanDerWaalsContact CG-OG 3.3Å; N88-S90 PolarHBondContact ND2-OG 3.41Å; N88-S90 VanDerWaalsContact ND2-OG 3.07Å; N88-S90 WeakPolarHBondContact OD1-CB 3.47Å; N88-S90 PolarHBondContact OD1-N 3.42Å; N88-S90 VanDerWaalsContact OD1-N 3.14Å; N88-S90 PolarHBondContact OD1-OG 2.85Å; S90-C92 VanDerWaalsContact C-N 3.35Å
91G83.4Confident70.5Confident32 Ų3261 Ų6133%0.3336%0.361SS..THydrogen-bonded Turntrans80.912.9-18000000114.1S65 T89 Q93 P107S65-G91 PolarHBondContact O-N 3.24Å; T89-G91 PolarHBondContact O-N 3.06Å; G91-Q93 PolarHBondContact O-N 3.3Å; G91-P107 VanDerWaalsContact O-CD 3.28Å; G91-P107 WeakPolarHBondContact O-CD 3.46Å
92C86.1Confident73.2Confident1 Ų155 Ų551%0.00732%0.319CS..  trans-62.1130.6177.5-174.10000111.6L59 S65 V67 T89 S90 D94 L106L59-C92 HydrophobicContact CD1-CB 3.83Å; S65-C92 WeakPolarHBondContact CB-O 3.5Å; S65-C92 PolarHBondContact O-N 3.44Å; V67-C92 HydrophobicContact CG2-CB 4.12Å; T89-C92 WeakPolarHBondContact O-CB 3.36Å; T89-C92 PolarHBondContact O-N 3Å; S90-C92 VanDerWaalsContact C-N 3.35Å; C92-D94 PolarHBondContact SG-O 3.49Å; C92-L106 HydrophobicContact CB-CD2 4.28Å
93Q87.4Confident75.6Confident118 Ų11848.9 Ų48.955%0.55130%0.296SS*.  trans-95.5-35.3-178.7-61.4-176-3.800112.3G91 A105G91-Q93 PolarHBondContact O-N 3.3Å; Q93-A105 PolarHBondContact N-O 3.04Å
94D87Confident77.9Confident58 Ų5845.3 Ų45.331%0.3127%0.271SS..EExtended strand (participates in β ladder)trans-152.6157.2172.9-156.22.5000110.9R50 C92 A105R50-D94 IonicContact CZ-OD1 2.77Å; R50-D94 IonicContact NE-OD1 3.79Å; R50-D94 PolarHBondContact NE-OD1 3Å; R50-D94 IonicContact NH2-OD1 3.98Å; R50-D94 PolarHBondContact NH2-OD1 3.1Å; R50-D94 IonicContact NH2-OD2 3.77Å; R50-D94 PolarHBondContact NH2-OD2 3.42Å; R50-D94 VanDerWaalsContact NH2-OD2 3.11Å; C92-D94 PolarHBondContact SG-O 3.49Å; D94-A105 HydrophobicContact CB-CB 4.14Å; D94-A105 PolarHBondContact O-N 3.46Å
95A88.3Confident80Confident5 Ų543.2 Ų43.24%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-131.9152.8173.900000110.3R50 V67 L102 T103 L104R50-A95 VanDerWaalsContact CD-O 3.26Å; R50-A95 WeakPolarHBondContact CD-O 3.45Å; R50-A95 WeakPolarHBondContact CG-O 3.19Å; R50-A95 PolarHBondContact NE-O 2.62Å; V67-A95 HydrophobicContact CG1-CB 4.47Å; V67-A95 HydrophobicContact CG2-CB 4.03Å; A95-L102 HydrophobicContact CB-CD1 4.27Å; A95-T103 CarbonylContact C-O 3.43Å; A95-T103 VanDerWaalsContact CA-O 3.28Å; A95-T103 WeakPolarHBondContact CA-O 3.24Å; A95-L104 HydrophobicContact CB-CD2 3.89Å
96A86.9Confident81.8Confident51 Ų5141.6 Ų41.642%0.42125%0.25SC..EExtended strand (participates in β ladder)trans-132.4142.8166.200000108.5L102 T103A96-L102 WeakPolarHBondContact O-CD1 3.37Å; A96-T103 PolarHBondContact N-O 2.8Å; A96-T103 PolarHBondContact O-N 3.44Å
97I86.6Confident83.3Confident20 Ų2041.4 Ų41.410%0.10325%0.25CS..EExtended strand (participates in β ladder)trans-130.7136.7-176.9-170.8164.3000110.7R50 R55 A57 L69 L115R50-I97 HydrophobicContact CB-CG2 3.88Å; R55-I97 HydrophobicContact CB-CD1 3.48Å; R55-I97 VanDerWaalsContact CB-CD1 3.48Å; R55-I97 HydrophobicContact CB-CG1 4.05Å; R55-I97 HydrophobicContact CG-CD1 4.4Å; A57-I97 HydrophobicContact CB-CB 4.07Å; A57-I97 HydrophobicContact CB-CD1 3.98Å; A57-I97 HydrophobicContact CB-CG2 4.05Å; L69-I97 HydrophobicContact CD2-CD1 3.63Å; I97-L115 HydrophobicContact CD1-CD1 4.4Å; I97-L115 HydrophobicContact CG1-CD1 4.36Å
98S83.3Confident84.2Confident47 Ų4742.7 Ų42.733%0.32927%0.267SS..  trans-118.4-170.1168.277.20000110S52 T100 H101S52-S98 PolarHBondContact OG-O 3.19Å; S98-T100 VanDerWaalsContact C-N 3.26Å; S98-T100 PolarHBondContact O-N 3.06Å; S98-T100 PolarHBondContact OG-N 2.86Å; S98-H101 PolarHBondContact N-O 3.01Å; S98-H101 PolarHBondContact OG-N 2.79Å; S98-H101 PolarHBondContact OG-O 2.82Å
99E78.8Confident85.1Confident93 Ų9342 Ų4244%0.43526%0.256SS..SBendtrans-70-27.4176-56.2-167.5151.100112.6W53 R55W53-E99 WeakPolarHBondContact CB-OE1 3.43Å; R55-E99 VanDerWaalsContact CZ-O 3.29Å; R55-E99 PolarHBondContact NE-O 3.46Å; R55-E99 PolarHBondContact NH2-O 3.38Å
100T80Confident85.5Confident50 Ų5043.1 Ų43.131%0.30726%0.26SS..SBendtrans-118.5-20.3-172.1590000113S98 L115S98-T100 VanDerWaalsContact C-N 3.26Å; S98-T100 PolarHBondContact O-N 3.06Å; S98-T100 PolarHBondContact OG-N 2.86Å; T100-L115 WeakPolarHBondContact O-CB 3.25Å; T100-L115 PolarHBondContact O-N 2.99Å
101H84.9Confident85.8Confident25 Ų2541.3 Ų41.312%0.11625%0.245CC..EExtended strand (participates in β ladder)trans-130.8147.9-173.5-70.279.3000113.3S98 W113 V141S98-H101 PolarHBondContact N-O 3.01Å; S98-H101 PolarHBondContact OG-N 2.79Å; S98-H101 PolarHBondContact OG-O 2.82Å; H101-W113 CarbonylContact C-O 3.53Å; H101-W113 VanDerWaalsContact CA-O 3.24Å; H101-W113 WeakPolarHBondContact CA-O 3.22Å; H101-V141 WeakPolarHBondContact NE2-CG1 3.39Å
102L86.9Confident85.9Confident3 Ų340 Ų402%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-117.3118.2164.3169.966.9000108.1A57 V67 L69 A95 A96 L104 W113 L115A57-L102 HydrophobicContact CB-CD1 4.44Å; V67-L102 HydrophobicContact CG1-CD1 4.36Å; V67-L102 HydrophobicContact CG1-CD2 4.42Å; L69-L102 HydrophobicContact CD1-CD2 3.94Å; L69-L102 HydrophobicContact CD2-CD1 4.19Å; L69-L102 HydrophobicContact CD2-CD2 4.12Å; L69-L102 HydrophobicContact CG-CD2 4.29Å; A95-L102 HydrophobicContact CB-CD1 4.27Å; A96-L102 WeakPolarHBondContact O-CD1 3.37Å; L102-L104 HydrophobicContact CD1-CD2 3.87Å; L102-L104 HydrophobicContact CD2-CD1 4.38Å; L102-L104 HydrophobicContact CD2-CD2 3.98Å; L102-L104 HydrophobicContact CD2-CG 4.28Å; L102-L104 HydrophobicContact CG-CD2 3.85Å; L102-L104 HydrophobicContact CG-CG 4.08Å; L102-W113 PolarHBondContact N-O 2.74Å; L102-W113 WeakPolarHBondContact O-CB 3.31Å; L102-W113 PolarHBondContact O-N 2.93Å; L102-L115 HydrophobicContact CB-CD1 4.36Å; L102-L115 HydrophobicContact CB-CD2 3.75Å; L102-L115 HydrophobicContact CB-CG 4.24Å
103T88.2Confident85.9Confident46 Ų4640.7 Ų40.728%0.28223%0.234SC..EExtended strand (participates in β ladder)trans-102.7131.4174.3-52.60000109.3A95 A96 I110 E111 S112A95-T103 CarbonylContact C-O 3.43Å; A95-T103 VanDerWaalsContact CA-O 3.28Å; A95-T103 WeakPolarHBondContact CA-O 3.24Å; A96-T103 PolarHBondContact N-O 2.8Å; A96-T103 PolarHBondContact O-N 3.44Å; T103-I110 HydrophobicContact CG2-CG2 3.77Å; T103-E111 CarbonylContact C-O 3.51Å; T103-E111 VanDerWaalsContact CA-O 3.29Å; T103-E111 WeakPolarHBondContact CA-O 3.23Å; T103-S112 PolarHBondContact OG1-OG 2.63Å
104L88.4Confident85.6Confident0 Ų037.4 Ų37.40%022%0.22CC..EExtended strand (participates in β ladder)trans-120.5129.6-176.8-60.2177.6000109.7V67 V87 T89 A95 L102 L106 I110 E111V67-L104 HydrophobicContact CB-CD2 4.34Å; V67-L104 HydrophobicContact CG2-CD2 3.77Å; V87-L104 HydrophobicContact CG1-CD1 3.54Å; T89-L104 HydrophobicContact CG2-CD1 3.88Å; A95-L104 HydrophobicContact CB-CD2 3.89Å; L102-L104 HydrophobicContact CD1-CD2 3.87Å; L102-L104 HydrophobicContact CD2-CD1 4.38Å; L102-L104 HydrophobicContact CD2-CD2 3.98Å; L102-L104 HydrophobicContact CD2-CG 4.28Å; L102-L104 HydrophobicContact CG-CD2 3.85Å; L102-L104 HydrophobicContact CG-CG 4.08Å; L104-L106 HydrophobicContact CB-CG 4.47Å; L104-I110 WeakPolarHBondContact O-CA 3.45Å; L104-E111 PolarHBondContact N-O 2.88Å; L104-E111 PolarHBondContact O-N 3.08Å
105A88Confident85.3Confident28 Ų2835.4 Ų35.423%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-93.7112.3167.200000108.5Q93 D94Q93-A105 PolarHBondContact N-O 3.04Å; D94-A105 HydrophobicContact CB-CB 4.14Å; D94-A105 PolarHBondContact O-N 3.46Å
106L86.8Confident84.7Confident5 Ų541.7 Ų41.73%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-109.3165179.2-68.2159.9000109.4C92 L104 G108 R109 E111C92-L106 HydrophobicContact CB-CD2 4.28Å; L104-L106 HydrophobicContact CB-CG 4.47Å; L106-G108 PolarHBondContact O-N 2.84Å; L106-R109 CarbonylContact C-O 3.59Å; L106-R109 WeakPolarHBondContact CA-O 3.47Å; L106-R109 HydrophobicContact CB-CG 3.85Å; L106-R109 HydrophobicContact CD1-CG 4.32Å; L106-R109 PolarHBondContact N-O 3.29Å; L106-R109 PolarHBondContact O-N 2.84Å; L106-R109 VanDerWaalsContact O-N 3.16Å; L106-E111 HydrophobicContact CD1-CG 4.21Å
107P85.7Confident84Confident75 Ų7541.3 Ų41.349%0.48723%0.232SC..THydrogen-bonded Turntrans-59.9112.6177.2-2335000110.5G91 R109G91-P107 VanDerWaalsContact O-CD 3.28Å; G91-P107 WeakPolarHBondContact O-CD 3.46Å; P107-R109 VanDerWaalsContact C-N 3.32Å; P107-R109 PolarHBondContact O-N 3.34Å
108G83Confident83.2Confident44 Ų4450.3 Ų50.345%0.45427%0.27SS..THydrogen-bonded Turntrans75.111.217800000115.5L106 M128L106-G108 PolarHBondContact O-N 2.84Å; G108-M128 PolarHBondContact O-N 2.88Å
109R86.6Confident82.5Confident102 Ų10253.2 Ų53.239%0.38528%0.282SS..EExtended strand (participates in β ladder)trans-159.2158.3173.668.9-176.8-173.5-89.51.8113.6L106 P107 E111 M126L106-R109 CarbonylContact C-O 3.59Å; L106-R109 WeakPolarHBondContact CA-O 3.47Å; L106-R109 HydrophobicContact CB-CG 3.85Å; L106-R109 HydrophobicContact CD1-CG 4.32Å; L106-R109 PolarHBondContact N-O 3.29Å; L106-R109 PolarHBondContact O-N 2.84Å; L106-R109 VanDerWaalsContact O-N 3.16Å; P107-R109 VanDerWaalsContact C-N 3.32Å; P107-R109 PolarHBondContact O-N 3.34Å; R109-E111 IonicContact CZ-OE1 3.41Å; R109-E111 IonicContact NE-OE1 2.72Å; R109-E111 PolarHBondContact NE-OE1 3.46Å; R109-E111 IonicContact NH2-OE1 3.65Å; R109-M126 CarbonylContact C-O 3.58Å; R109-M126 WeakPolarHBondContact CA-O 3.21Å; R109-M126 VanDerWaalsContact CB-O 3.27Å; R109-M126 WeakPolarHBondContact CB-O 3.41Å
110I87.1Confident82.2Confident43 Ų4356.2 Ų56.222%0.22129%0.294CS..EExtended strand (participates in β ladder)trans-118.1136.9170.7-57.4174.2000108T103 L104 W124 S125 M126 M128T103-I110 HydrophobicContact CG2-CG2 3.77Å; L104-I110 WeakPolarHBondContact O-CA 3.45Å; I110-W124 HydrophobicContact CB-CZ3 4.13Å; I110-W124 HydrophobicContact CG2-CZ3 3.77Å; I110-S125 CarbonylContact O-C 3.58Å; I110-S125 VanDerWaalsContact O-CA 3.26Å; I110-S125 WeakPolarHBondContact O-CA 3.47Å; I110-M126 PolarHBondContact N-O 2.76Å; I110-M126 PolarHBondContact O-N 3.44Å; I110-M128 HydrophobicContact CD1-CG 4.39Å; I110-M128 HydrophobicContact CD1-SD 3.76Å; I110-M128 HydrophobicContact CG1-CG 4.18Å; I110-M128 HydrophobicContact CG1-SD 3.71Å
111E87.5Confident82.3Confident22 Ų2258.4 Ų58.410%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-127.8140.1176.1-65.6176.1-176.500110.1T103 L104 L106 R109 W113 P122 W124T103-E111 CarbonylContact C-O 3.51Å; T103-E111 VanDerWaalsContact CA-O 3.29Å; T103-E111 WeakPolarHBondContact CA-O 3.23Å; L104-E111 PolarHBondContact N-O 2.88Å; L104-E111 PolarHBondContact O-N 3.08Å; L106-E111 HydrophobicContact CD1-CG 4.21Å; R109-E111 IonicContact CZ-OE1 3.41Å; R109-E111 IonicContact NE-OE1 2.72Å; R109-E111 PolarHBondContact NE-OE1 3.46Å; R109-E111 IonicContact NH2-OE1 3.65Å; E111-W113 VanDerWaalsContact OE2-CZ2 3.32Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.38Å; E111-W113 PolarHBondContact OE2-NE1 2.78Å; E111-P122 HydrophobicContact CB-CB 4.08Å; E111-P122 HydrophobicContact CG-CB 4.39Å; E111-P122 HydrophobicContact CG-CG 4.4Å; E111-W124 CarbonylContact C-O 3.58Å; E111-W124 WeakPolarHBondContact CA-O 3.41Å
112S87.3Confident82.2Confident4 Ų459 Ų593%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-115.8132.5170.2-163.90000109.3T103 P122 S123 W124T103-S112 PolarHBondContact OG1-OG 2.63Å; S112-P122 CarbonylContact O-C 3.48Å; S112-P122 WeakPolarHBondContact O-CA 3.36Å; S112-P122 WeakPolarHBondContact O-CB 3.42Å; S112-S123 PolarHBondContact O-N 3.5Å; S112-S123 PolarHBondContact O-OG 3.26Å; S112-S123 VanDerWaalsContact O-OG 3.07Å; S112-W124 PolarHBondContact N-O 2.81Å; S112-W124 PolarHBondContact O-N 2.87Å; S112-W124 VanDerWaalsContact O-N 3.13Å
113W85.4Confident82Confident16 Ų1661.2 Ų61.26%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-121.2124-173.3-67.582000109.4V85 V87 H101 L102 E111 L115 T121 P122V85-W113 HydrophobicContact CG1-CE3 3.83Å; V85-W113 HydrophobicContact CG1-CZ3 4.34Å; V87-W113 HydrophobicContact CB-CD2 4.28Å; V87-W113 HydrophobicContact CB-CH2 4.34Å; V87-W113 HydrophobicContact CB-CZ2 4.14Å; V87-W113 HydrophobicContact CG1-CD2 4.06Å; V87-W113 VanDerWaalsContact CG1-CE2 3.41Å; V87-W113 HydrophobicContact CG1-CH2 4.16Å; V87-W113 HydrophobicContact CG1-CZ2 3.5Å; V87-W113 HydrophobicContact CG2-CB 4.46Å; V87-W113 HydrophobicContact CG2-CD2 3.31Å; V87-W113 HydrophobicContact CG2-CE3 3.41Å; V87-W113 VanDerWaalsContact CG2-CE3 3.41Å; V87-W113 HydrophobicContact CG2-CG 3.81Å; V87-W113 HydrophobicContact CG2-CH2 4Å; V87-W113 HydrophobicContact CG2-CZ2 3.96Å; V87-W113 HydrophobicContact CG2-CZ3 3.73Å; H101-W113 CarbonylContact C-O 3.53Å; H101-W113 VanDerWaalsContact CA-O 3.24Å; H101-W113 WeakPolarHBondContact CA-O 3.22Å; L102-W113 PolarHBondContact N-O 2.74Å; L102-W113 WeakPolarHBondContact O-CB 3.31Å; L102-W113 PolarHBondContact O-N 2.93Å; E111-W113 VanDerWaalsContact OE2-CZ2 3.32Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.38Å; E111-W113 PolarHBondContact OE2-NE1 2.78Å; W113-L115 PolarHBondContact O-N 3.35Å; W113-T121 VanDerWaalsContact CZ3-C 3.4Å; W113-P122 HydrophobicContact CD2-CB 4.03Å; W113-P122 HydrophobicContact CG-CB 4.42Å; W113-P122 HydrophobicContact CZ2-CB 4.03Å; W113-P122 HydrophobicContact CZ2-CG 4.24Å
114D81.5Confident81.7Confident48 Ų4861.3 Ų61.326%0.25732%0.324SS..EExtended strand (participates in β ladder)trans-73.6119.2171-176.2-12.7000109.4Q116 S117D114-Q116 PolarHBondContact O-N 2.96Å; D114-Q116 WeakPolarHBondContact OD1-CA 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.41Å; D114-Q116 PolarHBondContact OD1-N 3.38Å; D114-S117 PolarHBondContact O-N 2.78Å; D114-S117 PolarHBondContact OD1-N 2.84Å
115L79.1Confident81.5Confident17 Ų1764.6 Ų64.69%0.08935%0.347CS..SBendtrans-77.1-8.5-178.6-62177.7000113.4R55 L69 V85 I97 T100 L102 W113R55-L115 VanDerWaalsContact CD-CD1 3.42Å; L69-L115 HydrophobicContact CD1-CD2 3.65Å; V85-L115 HydrophobicContact CG2-CD2 3.74Å; I97-L115 HydrophobicContact CD1-CD1 4.4Å; I97-L115 HydrophobicContact CG1-CD1 4.36Å; T100-L115 WeakPolarHBondContact O-CB 3.25Å; T100-L115 PolarHBondContact O-N 2.99Å; L102-L115 HydrophobicContact CB-CD1 4.36Å; L102-L115 HydrophobicContact CB-CD2 3.75Å; L102-L115 HydrophobicContact CB-CG 4.24Å; W113-L115 PolarHBondContact O-N 3.35Å
116Q76.1Confident81.2Confident137 Ų13765.5 Ų65.564%0.6435%0.347SS*.SBendtrans-100.6-18.1174.6-54.7-173.914.500112.1D114D114-Q116 PolarHBondContact O-N 2.96Å; D114-Q116 WeakPolarHBondContact OD1-CA 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.41Å; D114-Q116 PolarHBondContact OD1-N 3.38Å
117S73.1Confident81.1Confident43 Ų4372.7 Ų72.730%0.30138%0.381SS..  trans-72.1144.9178.6-174.40000111.8D114 D119D114-S117 PolarHBondContact O-N 2.78Å; D114-S117 PolarHBondContact OD1-N 2.84Å; S117-D119 VanDerWaalsContact C-N 3.32Å; S117-D119 WeakPolarHBondContact OG-CB 3.26Å; S117-D119 PolarHBondContact OG-N 2.78Å; S117-D119 PolarHBondContact OG-OD2 3.11Å
118K69.1Low80.5Confident208 Ų20874.3 Ų74.390%0.90438%0.383SS*.  trans-87.4-7.4170.5-67.2-178.1179.7179.40112.2
119D69.6Low79.5Confident108 Ų10876.3 Ų76.358%0.57839%0.386SS*.  trans-71.1144.9-178.4-61.8-34.4000110.9S117 T121S117-D119 VanDerWaalsContact C-N 3.32Å; S117-D119 WeakPolarHBondContact OG-CB 3.26Å; S117-D119 PolarHBondContact OG-N 2.78Å; S117-D119 PolarHBondContact OG-OD2 3.11Å; D119-T121 VanDerWaalsContact C-N 3.28Å; D119-T121 PolarHBondContact O-N 3.07Å
120K72.9Confident77.9Confident157 Ų15781.4 Ų81.468%0.68342%0.415SS*.SBendtrans-9421.9179.1-62.1-173.3178-178.40112.8
121T80.7Confident76.1Confident95 Ų9584.3 Ų84.358%0.58344%0.439SS*.SBendtrans-123.3147.5-179.752.60000109.9W113 D119W113-T121 VanDerWaalsContact CZ3-C 3.4Å; D119-T121 VanDerWaalsContact C-N 3.28Å; D119-T121 PolarHBondContact O-N 3.07Å
122P82.6Confident74.1Confident37 Ų3789.8 Ų89.824%0.2447%0.465CS..  trans-61.5140.7175.727.1-33.8000110.1E111 S112 W113 W124E111-P122 HydrophobicContact CB-CB 4.08Å; E111-P122 HydrophobicContact CG-CB 4.39Å; E111-P122 HydrophobicContact CG-CG 4.4Å; S112-P122 CarbonylContact O-C 3.48Å; S112-P122 WeakPolarHBondContact O-CA 3.36Å; S112-P122 WeakPolarHBondContact O-CB 3.42Å; W113-P122 HydrophobicContact CD2-CB 4.03Å; W113-P122 HydrophobicContact CG-CB 4.42Å; W113-P122 HydrophobicContact CZ2-CB 4.03Å; W113-P122 HydrophobicContact CZ2-CG 4.24Å; P122-W124 WeakPolarHBondContact CB-O 3.35Å; P122-W124 PolarHBondContact O-N 2.85Å
123S82.4Confident72.1Confident51 Ų5197.8 Ų97.836%0.35751%0.507SS..SBendtrans-65.8-22.417258.80000111.3S112S112-S123 PolarHBondContact O-N 3.5Å; S112-S123 PolarHBondContact O-OG 3.26Å; S112-S123 VanDerWaalsContact O-OG 3.07Å
124W83.8Confident70.2Confident47 Ų4799.9 Ų99.918%0.17852%0.524CS..EExtended strand (participates in β ladder)trans-153.4147.8170.7174.867000112.5I110 E111 S112 P122 M126 L138 P139I110-W124 HydrophobicContact CB-CZ3 4.13Å; I110-W124 HydrophobicContact CG2-CZ3 3.77Å; E111-W124 CarbonylContact C-O 3.58Å; E111-W124 WeakPolarHBondContact CA-O 3.41Å; S112-W124 PolarHBondContact N-O 2.81Å; S112-W124 PolarHBondContact O-N 2.87Å; S112-W124 VanDerWaalsContact O-N 3.13Å; P122-W124 WeakPolarHBondContact CB-O 3.35Å; P122-W124 PolarHBondContact O-N 2.85Å; W124-M126 HydrophobicContact CH2-CB 3.39Å; W124-M126 HydrophobicContact CH2-CG 4.31Å; W124-M126 HydrophobicContact CH2-SD 4.02Å; W124-M126 HydrophobicContact CZ2-CB 3.27Å; W124-M126 HydrophobicContact CZ2-CG 4.19Å; W124-M126 HydrophobicContact CZ2-SD 3.96Å; W124-M126 HydrophobicContact CZ3-CB 4.24Å; W124-L138 HydrophobicContact CH2-CD2 3.58Å; W124-L138 HydrophobicContact CZ2-CD2 3.9Å; W124-P139 HydrophobicContact CD2-CG 4.3Å; W124-P139 HydrophobicContact CG-CG 3.91Å; W124-P139 HydrophobicContact CZ2-CG 4.37Å
125S83.3Confident68.3Low70 Ų70103 Ų10349%0.4954%0.541SS..EExtended strand (participates in β ladder)trans-144.2153.6170.365.20000112.3I110I110-S125 CarbonylContact O-C 3.58Å; I110-S125 VanDerWaalsContact O-CA 3.26Å; I110-S125 WeakPolarHBondContact O-CA 3.47Å
126M81.9Confident66.8Low46 Ų46105.7 Ų105.723%0.22756%0.557CS.*EExtended strand (participates in β ladder)trans-143.3133.3175.3172.8171.8-145.900111.1R109 I110 W124 V136 L138R109-M126 CarbonylContact C-O 3.58Å; R109-M126 WeakPolarHBondContact CA-O 3.21Å; R109-M126 VanDerWaalsContact CB-O 3.27Å; R109-M126 WeakPolarHBondContact CB-O 3.41Å; I110-M126 PolarHBondContact N-O 2.76Å; I110-M126 PolarHBondContact O-N 3.44Å; W124-M126 HydrophobicContact CH2-CB 3.39Å; W124-M126 HydrophobicContact CH2-CG 4.31Å; W124-M126 HydrophobicContact CH2-SD 4.02Å; W124-M126 HydrophobicContact CZ2-CB 3.27Å; W124-M126 HydrophobicContact CZ2-CG 4.19Å; W124-M126 HydrophobicContact CZ2-SD 3.96Å; W124-M126 HydrophobicContact CZ3-CB 4.24Å; M126-V136 HydrophobicContact CE-CB 4.09Å; M126-V136 HydrophobicContact CE-CG1 3.38Å; M126-V136 HydrophobicContact SD-CG1 3.6Å; M126-V136 VanDerWaalsContact SD-CG1 3.6Å; M126-L138 HydrophobicContact SD-CD2 4.07Å
127E83.9Confident65.2Low156 Ų156104.8 Ų104.873%0.72956%0.557SS**EExtended strand (participates in β ladder)trans-80.5133.1171.3-65.2-172.3170.100111
128M74.3Confident63.9Low110 Ų110106.5 Ų106.554%0.54256%0.563SS.*  trans-9991.8172.8-61.5-168.576.400108.7G108 I110G108-M128 PolarHBondContact O-N 2.88Å; I110-M128 HydrophobicContact CD1-CG 4.39Å; I110-M128 HydrophobicContact CD1-SD 3.76Å; I110-M128 HydrophobicContact CG1-CG 4.18Å; I110-M128 HydrophobicContact CG1-SD 3.71Å
129T61.8Low62.6Low85 Ų8599.8 Ų99.852%0.52154%0.54SS..  trans-79.3129.316831.80000109S131T129-S131 PolarHBondContact O-N 2.86Å
130Q53.6Low61.6Low210 Ų21099.5 Ų99.598%0.98154%0.538SS*.THydrogen-bonded Turntrans-58.96.1-177-78.4-179.3-1300115.5
131S49Very low60.3Low104 Ų10493.9 Ų93.973%0.72752%0.517SS*.THydrogen-bonded Turntrans-143.914.8-166.6590000117T129T129-S131 PolarHBondContact O-N 2.86Å
132Q45.7Very low58.4Low137 Ų13794.6 Ų94.664%0.6452%0.523SS*.  trans-100.6105.5179.1-67.7-126.1-29.500112.8S134Q132-S134 PolarHBondContact O-N 3.42Å; Q132-S134 VanDerWaalsContact O-N 3.15Å; Q132-S134 PolarHBondContact OE1-OG 3.45Å
133N44.7Very low56.7Low171 Ų17197 Ų9791%0.91455%0.554SS**  trans-76.533.4165.3-127.97.7000111
134S44.4Very low55Low60 Ų6096.8 Ų96.842%0.4256%0.561SS.*SBendtrans-118.7147.7-177.761.40000110.8Q132 V136Q132-S134 PolarHBondContact O-N 3.42Å; Q132-S134 VanDerWaalsContact O-N 3.15Å; Q132-S134 PolarHBondContact OE1-OG 3.45Å; S134-V136 PolarHBondContact O-N 2.78Å; S134-V136 VanDerWaalsContact O-N 3.09Å
135D43.3Very low53.1Low114 Ų114104.6 Ų104.661%0.6159%0.591SS**  trans-42.2112.1179.7-69.7-42000112.5N137 S155D135-N137 VanDerWaalsContact C-N 3.33Å; D135-N137 PolarHBondContact O-N 3.28Å; D135-S155 WeakPolarHBondContact CA-OG 3.38Å; D135-S155 WeakPolarHBondContact CB-OG 3.16Å; D135-S155 VanDerWaalsContact CG-OG 3.25Å; D135-S155 WeakPolarHBondContact OD1-CB 3.26Å; D135-S155 PolarHBondContact OD1-OG 3.02Å
136V46.8Very low51Low73 Ų73110 Ų11044%0.44261%0.613SS.*  trans-7286.9177.3175.80000107.2M126 S134 L138 F153M126-V136 HydrophobicContact CE-CB 4.09Å; M126-V136 HydrophobicContact CE-CG1 3.38Å; M126-V136 HydrophobicContact SD-CG1 3.6Å; M126-V136 VanDerWaalsContact SD-CG1 3.6Å; S134-V136 PolarHBondContact O-N 2.78Å; S134-V136 VanDerWaalsContact O-N 3.09Å; V136-L138 HydrophobicContact CG1-CD2 3.94Å; V136-L138 HydrophobicContact CG1-CG 4.11Å; V136-L138 PolarHBondContact O-N 3.14Å; V136-F153 WeakPolarHBondContact O-CE1 3.42Å; V136-F153 WeakPolarHBondContact O-CZ 3.43Å
137N42.9Very low49.2Very low119 Ų119111.2 Ų111.264%0.63663%0.626SS**  trans-66.197.1176.1-80.4-57.3000110.2D135 P139D135-N137 VanDerWaalsContact C-N 3.33Å; D135-N137 PolarHBondContact O-N 3.28Å; N137-P139 VanDerWaalsContact O-CD 3.27Å; N137-P139 WeakPolarHBondContact O-CD 3.28Å
138L45.1Very low47.3Very low79 Ų79109.8 Ų109.841%0.41463%0.633SS.*  trans-81109.4168-62.6178.2000107.8W124 M126 V136 F153W124-L138 HydrophobicContact CH2-CD2 3.58Å; W124-L138 HydrophobicContact CZ2-CD2 3.9Å; M126-L138 HydrophobicContact SD-CD2 4.07Å; V136-L138 HydrophobicContact CG1-CD2 3.94Å; V136-L138 HydrophobicContact CG1-CG 4.11Å; V136-L138 PolarHBondContact O-N 3.14Å; L138-F153 HydrophobicContact CB-CD2 4.02Å; L138-F153 HydrophobicContact CB-CE2 3.65Å; L138-F153 HydrophobicContact CB-CZ 4.28Å; L138-F153 HydrophobicContact CD1-CE2 3.88Å; L138-F153 HydrophobicContact CD1-CZ 4.45Å; L138-F153 HydrophobicContact CG-CE2 3.82Å; L138-F153 HydrophobicContact CG-CZ 4.16Å
139P42.3Very low45.8Very low67 Ų67112 Ų11244%0.43564%0.64SS.*PPolyproline II helixtrans-75.5153.7173.335.1-34000109.8W124 N137 V141W124-P139 HydrophobicContact CD2-CG 4.3Å; W124-P139 HydrophobicContact CG-CG 3.91Å; W124-P139 HydrophobicContact CZ2-CG 4.37Å; N137-P139 VanDerWaalsContact O-CD 3.27Å; N137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-V141 PolarHBondContact O-N 3.43Å
140L49.3Very low45.1Very low102 Ų102113.1 Ų113.153%0.53465%0.648SS.*PPolyproline II helixtrans-78.2125180-54.6154.1000107.4P151L140-P151 HydrophobicContact CD1-CB 4.41Å; L140-P151 HydrophobicContact CD1-CG 3.11Å; L140-P151 HydrophobicContact CD2-CB 3.98Å; L140-P151 HydrophobicContact CD2-CG 3.16Å; L140-P151 HydrophobicContact CG-CG 3.59Å
141V44.8Very low45.1Very low39 Ų39106.6 Ų106.624%0.23662%0.624CS.*PPolyproline II helixtrans-63.2126.4175.4-170.40000108.3H101 P139 G143 G144H101-V141 WeakPolarHBondContact NE2-CG1 3.39Å; P139-V141 PolarHBondContact O-N 3.43Å; V141-G143 PolarHBondContact O-N 2.78Å; V141-G144 PolarHBondContact O-N 2.94Å
142P40.7Very low45.3Very low110 Ų110108 Ų10871%0.71462%0.622SS**THydrogen-bonded Turntrans-55.3127.4-179.6-23.432000110.7
143G46.6Very low45.8Very low86 Ų86105.2 Ų105.289%0.88761%0.608SS**THydrogen-bonded Turntrans93.8-1.8-176.600000115.4V141 Y145V141-G143 PolarHBondContact O-N 2.78Å; G143-Y145 PolarHBondContact O-N 3.39Å
144G47.2Very low46.7Very low48 Ų48104.1 Ų104.150%0.49559%0.591SS.*SBendtrans-77.3108.7166.500000111.3V141V141-G144 PolarHBondContact O-N 2.94Å
145Y43.7Very low47.8Very low210 Ų210103.2 Ų103.282%0.82459%0.585SS**  trans52.3118.4177-68.6-92.4000116.3G143 S147G143-Y145 PolarHBondContact O-N 3.39Å; Y145-S147 PolarHBondContact O-N 3.27Å
146I38.6Very low49.1Very low185 Ų185101.3 Ų101.395%0.94957%0.574SS**  trans-71.877.7161.5-55.2171000107.3
147S45.6Very low50.3Low70 Ų70100.7 Ų100.749%0.4957%0.573SS.*  trans-88.9127.7157178.40000107.2Y145 K149Y145-S147 PolarHBondContact O-N 3.27Å; S147-K149 WeakPolarHBondContact CB-O 3.4Å; S147-K149 PolarHBondContact O-N 3.47Å; S147-K149 VanDerWaalsContact O-N 3.1Å; S147-K149 PolarHBondContact OG-N 3.48Å; S147-K149 PolarHBondContact OG-O 2.94Å
148S42.2Very low51.7Low126 Ų12699.5 Ų99.588%0.88157%0.574SS**SBendtrans-64.3-9.7173550000112.8
149K44.2Very low53.3Low158 Ų158103.7 Ų103.769%0.68759%0.591SS**SBendtrans-107.9128.2171.7-65.1179.6-178.9176.50109S147S147-K149 WeakPolarHBondContact CB-O 3.4Å; S147-K149 PolarHBondContact O-N 3.47Å; S147-K149 VanDerWaalsContact O-N 3.1Å; S147-K149 PolarHBondContact OG-N 3.48Å; S147-K149 PolarHBondContact OG-O 2.94Å
150P46.5Very low55Low108 Ų108102 Ų10270%0.70158%0.578SS**  trans-54.4126.9170.823.8-31.7000107.8I152P150-I152 PolarHBondContact O-N 3.25Å
151P53Low56.8Low72 Ų72103.4 Ų103.447%0.46858%0.582SS.*  trans-63.1127-179.224.6-32.3000107.9L140 F153L140-P151 HydrophobicContact CD1-CB 4.41Å; L140-P151 HydrophobicContact CD1-CG 3.11Å; L140-P151 HydrophobicContact CD2-CB 3.98Å; L140-P151 HydrophobicContact CD2-CG 3.16Å; L140-P151 HydrophobicContact CG-CG 3.59Å; P151-F153 PolarHBondContact O-N 2.98Å
152I53.3Low58.9Low133 Ų133104.5 Ų104.568%0.68260%0.595SS**  trans-75.5111.6-176.1-56.4173.2000105.6P150 R154P150-I152 PolarHBondContact O-N 3.25Å; I152-R154 HydrophobicContact CG2-CG 3.79Å; I152-R154 PolarHBondContact O-N 3.36Å
153F57.7Low61.2Low80 Ų80105.5 Ų105.535%0.35159%0.589SS.*  trans-80.1105.6167.3-174.2-94.7000107.8V136 L138 P151V136-F153 WeakPolarHBondContact O-CE1 3.42Å; V136-F153 WeakPolarHBondContact O-CZ 3.43Å; L138-F153 HydrophobicContact CB-CD2 4.02Å; L138-F153 HydrophobicContact CB-CE2 3.65Å; L138-F153 HydrophobicContact CB-CZ 4.28Å; L138-F153 HydrophobicContact CD1-CE2 3.88Å; L138-F153 HydrophobicContact CD1-CZ 4.45Å; L138-F153 HydrophobicContact CG-CE2 3.82Å; L138-F153 HydrophobicContact CG-CZ 4.16Å; P151-F153 PolarHBondContact O-N 2.98Å
154R62.8Low63.3Low147 Ų147103.9 Ų103.956%0.55556%0.564SS**  trans-105.7125.9163.6-65.9-170.2-172.7162.5-0.4107.8I152 L156 E202I152-R154 HydrophobicContact CG2-CG 3.79Å; I152-R154 PolarHBondContact O-N 3.36Å; R154-L156 PolarHBondContact O-N 2.85Å; R154-E202 VanDerWaalsContact CD-OE1 3.32Å; R154-E202 WeakPolarHBondContact CD-OE1 3.01Å; R154-E202 IonicContact CZ-OE1 2.95Å; R154-E202 IonicContact NE-OE1 3.96Å; R154-E202 IonicContact NH1-OE1 2.82Å; R154-E202 PolarHBondContact NH1-OE1 3.22Å
155S67.3Low65.5Low42 Ų42105.9 Ų105.929%0.29456%0.563SS.*PPolyproline II helixtrans-55.6134.1166.6-61.40000108.9D135 S157D135-S155 WeakPolarHBondContact CA-OG 3.38Å; D135-S155 WeakPolarHBondContact CB-OG 3.16Å; D135-S155 VanDerWaalsContact CG-OG 3.25Å; D135-S155 WeakPolarHBondContact OD1-CB 3.26Å; D135-S155 PolarHBondContact OD1-OG 3.02Å; S155-S157 PolarHBondContact O-N 2.9Å
156L69.8Low67.8Low73 Ų7396.6 Ų96.638%0.38253%0.529SS..PPolyproline II helixtrans-56.5140.4165.5-65.6174.9000108.2R154 S158 L174 P203R154-L156 PolarHBondContact O-N 2.85Å; L156-S158 PolarHBondContact O-N 2.79Å; L156-L174 HydrophobicContact CD1-CD1 4.49Å; L156-L174 HydrophobicContact CD1-CD2 4.22Å; L156-P203 HydrophobicContact CD2-CG 3.47Å; L156-P203 VanDerWaalsContact CD2-CG 3.47Å
157S73.7Confident70.4Confident60 Ų6093.7 Ų93.742%0.4252%0.515SS..PPolyproline II helixtrans-48.9132.3174.9172.70000110S155 H159 L160S155-S157 PolarHBondContact O-N 2.9Å; S157-H159 PolarHBondContact O-N 3.35Å; S157-H159 PolarHBondContact OG-CD2 3.02Å; S157-H159 PolarHBondContact OG-N 3.17Å; S157-L160 WeakPolarHBondContact O-CA 3.24Å; S157-L160 VanDerWaalsContact O-CB 3.31Å; S157-L160 WeakPolarHBondContact O-CB 3.42Å; S157-L160 PolarHBondContact O-N 2.92Å
158S72.3Confident72.6Confident94 Ų9491.4 Ų91.466%0.65750%0.502SS*.THydrogen-bonded Turntrans-59.9-16.5178.257.40000113.2L156L156-S158 PolarHBondContact O-N 2.79Å
159H78.3Confident74.9Confident167 Ų16787.4 Ų87.477%0.77348%0.481SS*.THydrogen-bonded Turntrans-74.9-25.4172.4-59.4-66000113S157 Q161S157-H159 PolarHBondContact O-N 3.35Å; S157-H159 PolarHBondContact OG-CD2 3.02Å; S157-H159 PolarHBondContact OG-N 3.17Å; H159-Q161 VanDerWaalsContact C-N 3.29Å; H159-Q161 PolarHBondContact O-N 3.26Å
160L78.4Confident77.2Confident31 Ų3185.9 Ų85.916%0.16248%0.476CS..SBendtrans-77.483.4170.7-67.5164.8000107.9S157 A162 T176 Y182S157-L160 WeakPolarHBondContact O-CA 3.24Å; S157-L160 VanDerWaalsContact O-CB 3.31Å; S157-L160 WeakPolarHBondContact O-CB 3.42Å; S157-L160 PolarHBondContact O-N 2.92Å; L160-A162 PolarHBondContact O-N 2.86Å; L160-T176 HydrophobicContact CD2-CG2 4.24Å; L160-Y182 HydrophobicContact CD2-CD1 3.99Å; L160-Y182 HydrophobicContact CD2-CD2 3.89Å; L160-Y182 HydrophobicContact CD2-CE1 3.58Å; L160-Y182 HydrophobicContact CD2-CE2 3.48Å; L160-Y182 VanDerWaalsContact CD2-CE2 3.48Å; L160-Y182 HydrophobicContact CD2-CG 4.14Å
161Q86.8Confident79.5Confident133 Ų13381.1 Ų81.162%0.62145%0.445SS*.  trans-65.983.8173.4-67-173.1-24.700109.4H159 K163 T176 A177H159-Q161 VanDerWaalsContact C-N 3.29Å; H159-Q161 PolarHBondContact O-N 3.26Å; Q161-K163 PolarHBondContact O-N 2.81Å; Q161-T176 CarbonylContact O-C 3.6Å; Q161-T176 WeakPolarHBondContact O-CA 3.35Å; Q161-A177 HydrophobicContact CB-CB 3.9Å; Q161-A177 PolarHBondContact O-N 3.25Å
162A88.4Confident81.5Confident62 Ų6278 Ų7851%0.51242%0.424SS..EExtended strand (participates in β ladder)trans-62.3129-177.600000111.1L160 L174L160-A162 PolarHBondContact O-N 2.86Å; A162-L174 HydrophobicContact CB-CD1 3.7Å
163K89.3Confident83.7Confident131 Ų13171.6 Ų71.657%0.5739%0.392SS*.EExtended strand (participates in β ladder)trans-109.8-42.4176.5-178.8-175.7178.1-1730111.9Q161 L175Q161-K163 PolarHBondContact O-N 2.81Å; K163-L175 WeakPolarHBondContact CA-O 3.07Å; K163-L175 WeakPolarHBondContact CB-O 3.33Å; K163-L175 HydrophobicContact CD-CD2 4.21Å; K163-L175 PolarHBondContact N-O 3.1Å
164S90.4Very high85.5Confident52 Ų5267.9 Ų67.936%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-149.9146.8178.9-1750000110.5L174 L175S164-L174 WeakPolarHBondContact O-CD1 3.43Å; S164-L175 PolarHBondContact N-O 3.45Å; S164-L175 VanDerWaalsContact N-O 3.08Å; S164-L175 PolarHBondContact O-N 3.41Å
165L92.3Very high87.1Confident90 Ų9061 Ų6147%0.47135%0.349SS..EExtended strand (participates in β ladder)trans-127.9120.1175.9-177.367.5000108.7L167 A172 L174 W184L165-L167 HydrophobicContact CD1-CD2 4.5Å; L165-L167 HydrophobicContact CD2-CD2 4.06Å; L165-L167 HydrophobicContact CG-CD2 4.05Å; L165-A172 HydrophobicContact CD1-CB 4.15Å; L165-L174 HydrophobicContact CB-CD1 4.5Å; L165-L174 HydrophobicContact CD1-CB 4.09Å; L165-L174 HydrophobicContact CD1-CD1 4.18Å; L165-W184 HydrophobicContact CD1-CH2 3.53Å; L165-W184 HydrophobicContact CD1-CZ2 4.12Å; L165-W184 HydrophobicContact CD1-CZ3 4.37Å
166A93.9Very high88.4Confident15 Ų1559.4 Ų59.412%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-103.6136.2169.800000109.4A172 V173 V217 A219A166-A172 WeakPolarHBondContact O-CA 3.48Å; A166-V173 HydrophobicContact CB-CB 4.37Å; A166-V173 PolarHBondContact N-O 2.85Å; A166-V173 PolarHBondContact O-N 3.22Å; A166-V217 HydrophobicContact CB-CG2 4.18Å; A166-A219 HydrophobicContact CB-CB 3.95Å
167L91.7Very high89.5Confident124 Ų12458.8 Ų58.865%0.64934%0.343SS*.EExtended strand (participates in β ladder)trans-111.8123.4179.1-59.5178.5000108.7L165 A172L165-L167 HydrophobicContact CD1-CD2 4.5Å; L165-L167 HydrophobicContact CD2-CD2 4.06Å; L165-L167 HydrophobicContact CG-CD2 4.05Å; L167-A172 HydrophobicContact CD2-CB 3.87Å
168G93Very high90.4Very high21 Ų2159.6 Ų59.622%0.21635%0.354CS..  trans-87.6-159.8169.800000111.8H171 G220G168-H171 PolarHBondContact N-O 2.93Å; G168-G220 CarbonylContact C-O 3.56Å; G168-G220 WeakPolarHBondContact CA-O 3.4Å
169G89.8Confident91.5Very high42 Ų4255.3 Ų55.343%0.43333%0.325SS..SBendtrans-64.7-46178.300000112.8G220 G221G169-G220 PolarHBondContact N-O 3Å; G169-G221 PolarHBondContact N-O 2.94Å
170E92.1Very high92.3Very high127 Ų12748.9 Ų48.959%0.59330%0.3SS*.SBendtrans-142.417.1-176.9-62.6-174.3137.900112.4Q186E170-Q186 HydrophobicContact CB-CB 3.55Å; E170-Q186 HydrophobicContact CB-CG 4.31Å; E170-Q186 WeakPolarHBondContact O-CB 3.34Å; E170-Q186 PolarHBondContact O-N 2.83Å
171H95.3Very high93.2Very high8 Ų847.6 Ų47.64%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-140.4164.4-179.874.6-70.5000111.5G168 W184 Q191 L192 G220 H223 S224G168-H171 PolarHBondContact N-O 2.93Å; H171-W184 CarbonylContact C-O 3.54Å; H171-W184 VanDerWaalsContact CA-O 3.25Å; H171-W184 WeakPolarHBondContact CA-O 3.48Å; H171-W184 WeakPolarHBondContact CB-O 3.34Å; H171-Q191 HydrophobicContact CB-CG 4.08Å; H171-L192 HydrophobicContact CB-CD2 3.8Å; H171-G220 PolarHBondContact CE1-O 3.14Å; H171-H223 PolarHBondContact CE1-O 3.26Å; H171-H223 PolarHBondContact NE2-O 3.02Å; H171-S224 PolarHBondContact CD2-OG 3.12Å; H171-S224 PolarHBondContact NE2-OG 2.92Å
172A95.7Very high93.7Very high5 Ų543.9 Ų43.94%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-125.8149.117700000110.7L165 A166 L167 T183 W184L165-A172 HydrophobicContact CD1-CB 4.15Å; A166-A172 WeakPolarHBondContact O-CA 3.48Å; L167-A172 HydrophobicContact CD2-CB 3.87Å; A172-T183 VanDerWaalsContact O-CA 3.27Å; A172-T183 WeakPolarHBondContact O-CA 3.38Å; A172-W184 HydrophobicContact CB-CD2 3.91Å; A172-W184 HydrophobicContact CB-CE3 4.17Å; A172-W184 HydrophobicContact CB-CH2 3.84Å; A172-W184 HydrophobicContact CB-CZ2 3.53Å; A172-W184 HydrophobicContact CB-CZ3 4.14Å; A172-W184 PolarHBondContact N-O 2.99Å; A172-W184 PolarHBondContact O-N 3.29Å
173V97.8Very high94.1Very high0 Ų041 Ų410%025%0.25CS..EExtended strand (participates in β ladder)trans-128.1111.2175.6-171.40000107.9A166 V181 Y182 T183 V217 A219 S224A166-V173 HydrophobicContact CB-CB 4.37Å; A166-V173 PolarHBondContact N-O 2.85Å; A166-V173 PolarHBondContact O-N 3.22Å; V173-V181 HydrophobicContact CG1-CG1 3.7Å; V173-Y182 CarbonylContact C-O 3.53Å; V173-Y182 WeakPolarHBondContact CA-O 3.3Å; V173-T183 HydrophobicContact CB-CG2 4.35Å; V173-T183 HydrophobicContact CG1-CG2 4.08Å; V173-T183 HydrophobicContact CG2-CG2 4.06Å; V173-V217 HydrophobicContact CG1-CB 3.85Å; V173-V217 HydrophobicContact CG1-CG1 3.91Å; V173-V217 HydrophobicContact CG1-CG2 4.35Å; V173-A219 HydrophobicContact CG2-CB 3.87Å; V173-S224 WeakPolarHBondContact CG2-OG 3.31Å
174L96.2Very high94.4Very high2 Ų237 Ų371%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-100.7129.4178.7176.475.2000109.9L156 A162 S164 L165 V181 Y182 W184L156-L174 HydrophobicContact CD1-CD1 4.49Å; L156-L174 HydrophobicContact CD1-CD2 4.22Å; A162-L174 HydrophobicContact CB-CD1 3.7Å; S164-L174 WeakPolarHBondContact O-CD1 3.43Å; L165-L174 HydrophobicContact CB-CD1 4.5Å; L165-L174 HydrophobicContact CD1-CB 4.09Å; L165-L174 HydrophobicContact CD1-CD1 4.18Å; L174-V181 CarbonylContact O-C 3.59Å; L174-V181 WeakPolarHBondContact O-CA 3.22Å; L174-Y182 PolarHBondContact N-O 2.92Å; L174-Y182 PolarHBondContact O-N 2.9Å; L174-W184 HydrophobicContact CB-CH2 3.88Å; L174-W184 HydrophobicContact CB-CZ3 3.54Å; L174-W184 HydrophobicContact CD2-CZ3 4.44Å
175L96.3Very high94.7Very high1 Ų135.6 Ų35.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-101.1128.3166.5179.964.1000109.4K163 S164 V181 M214 R215 V217K163-L175 WeakPolarHBondContact CA-O 3.07Å; K163-L175 WeakPolarHBondContact CB-O 3.33Å; K163-L175 HydrophobicContact CD-CD2 4.21Å; K163-L175 PolarHBondContact N-O 3.1Å; S164-L175 PolarHBondContact N-O 3.45Å; S164-L175 VanDerWaalsContact N-O 3.08Å; S164-L175 PolarHBondContact O-N 3.41Å; L175-V181 HydrophobicContact CD1-CG2 4.19Å; L175-M214 HydrophobicContact CD1-CB 3.83Å; L175-R215 VanDerWaalsContact CD2-C 3.45Å; L175-R215 VanDerWaalsContact CD2-O 3.25Å; L175-R215 WeakPolarHBondContact CD2-O 3.35Å; L175-V217 HydrophobicContact CB-CG1 3.92Å; L175-V217 HydrophobicContact CB-CG2 3.82Å; L175-V217 HydrophobicContact CD1-CG1 4.37Å
176T94.6Very high94.8Very high9 Ų934.3 Ų34.36%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-90.4164.5175640000112.2L160 Q161 A178 G179 A180 Y182L160-T176 HydrophobicContact CD2-CG2 4.24Å; Q161-T176 CarbonylContact O-C 3.6Å; Q161-T176 WeakPolarHBondContact O-CA 3.35Å; T176-A178 PolarHBondContact O-N 3.37Å; T176-G179 PolarHBondContact O-N 3.5Å; T176-A180 PolarHBondContact N-O 2.87Å; T176-A180 WeakPolarHBondContact OG1-CB 3.38Å; T176-A180 PolarHBondContact OG1-N 2.8Å; T176-A180 PolarHBondContact OG1-O 2.81Å; T176-Y182 HydrophobicContact CG2-CD2 3.84Å; T176-Y182 HydrophobicContact CG2-CE2 3.73Å
177A92.5Very high94.9Very high60 Ų6033.6 Ų33.650%0.49621%0.211SC..THydrogen-bonded Turntrans-61.5-28.3175.300000112.7Q161 G179Q161-A177 HydrophobicContact CB-CB 3.9Å; Q161-A177 PolarHBondContact O-N 3.25Å; A177-G179 PolarHBondContact O-N 3.29Å
178A93Very high95.1Very high78 Ų7829.9 Ų29.965%0.64520%0.195SC*.THydrogen-bonded Turntrans-800.1174.600000113.7T176 A180T176-A178 PolarHBondContact O-N 3.37Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.22Å
179G95.4Very high95.3Very high4 Ų431.5 Ų31.54%0.04120%0.197CC..SBendtrans80.18-179.500000115.1T176 A177 M214T176-G179 PolarHBondContact O-N 3.5Å; A177-G179 PolarHBondContact O-N 3.29Å; G179-M214 WeakPolarHBondContact CA-O 3.45Å; G179-M214 WeakPolarHBondContact O-CB 3.43Å; G179-M214 PolarHBondContact O-N 3.38Å
180A95.9Very high95.7Very high31 Ų3129.5 Ų29.526%0.25618%0.177SC..  trans-79.4143.8172.500000111.4T176 A178 Y182T176-A180 PolarHBondContact N-O 2.87Å; T176-A180 WeakPolarHBondContact OG1-CB 3.38Å; T176-A180 PolarHBondContact OG1-N 2.8Å; T176-A180 PolarHBondContact OG1-O 2.81Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.22Å; A180-Y182 HydrophobicContact CB-CE2 3.97Å
181V97.6Very high96Very high4 Ų423.4 Ų23.42%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-107.9130.3-179.8179.60000110.5V173 L174 L175 T183 V206 L209 M214 V217V173-V181 HydrophobicContact CG1-CG1 3.7Å; L174-V181 CarbonylContact O-C 3.59Å; L174-V181 WeakPolarHBondContact O-CA 3.22Å; L175-V181 HydrophobicContact CD1-CG2 4.19Å; V181-T183 HydrophobicContact CG1-CG2 4.46Å; V181-V206 HydrophobicContact CB-CG2 4.47Å; V181-V206 HydrophobicContact CG1-CG2 4Å; V181-V206 PolarHBondContact O-N 3.21Å; V181-L209 HydrophobicContact CB-CD1 4.22Å; V181-L209 HydrophobicContact CG2-CD1 4.29Å; V181-M214 HydrophobicContact CG2-CB 3.86Å; V181-M214 HydrophobicContact CG2-CG 3.64Å; V181-V217 HydrophobicContact CG1-CG1 4.41Å; V181-V217 HydrophobicContact CG2-CG1 4Å
182Y97Very high96.1Very high56 Ų5623.1 Ų23.122%0.2215%0.147CC..EExtended strand (participates in β ladder)trans-120.3145.7174.5-67.9-107.4000110.1L160 V173 L174 T176 A180 P203 R204L160-Y182 HydrophobicContact CD2-CD1 3.99Å; L160-Y182 HydrophobicContact CD2-CD2 3.89Å; L160-Y182 HydrophobicContact CD2-CE1 3.58Å; L160-Y182 HydrophobicContact CD2-CE2 3.48Å; L160-Y182 VanDerWaalsContact CD2-CE2 3.48Å; L160-Y182 HydrophobicContact CD2-CG 4.14Å; V173-Y182 CarbonylContact C-O 3.53Å; V173-Y182 WeakPolarHBondContact CA-O 3.3Å; L174-Y182 PolarHBondContact N-O 2.92Å; L174-Y182 PolarHBondContact O-N 2.9Å; T176-Y182 HydrophobicContact CG2-CD2 3.84Å; T176-Y182 HydrophobicContact CG2-CE2 3.73Å; A180-Y182 HydrophobicContact CB-CE2 3.97Å; Y182-P203 HydrophobicContact CD1-CB 4.27Å; Y182-R204 CarbonylContact C-O 3.59Å; Y182-R204 WeakPolarHBondContact CA-O 3.48Å
183T97.2Very high96.2Very high0 Ų023 Ų230%015%0.146CC..EExtended strand (participates in β ladder)trans-137.2147.2179.650.20000111.2A172 V173 V181 L192 H194 R204 V206 W236A172-T183 VanDerWaalsContact O-CA 3.27Å; A172-T183 WeakPolarHBondContact O-CA 3.38Å; V173-T183 HydrophobicContact CB-CG2 4.35Å; V173-T183 HydrophobicContact CG1-CG2 4.08Å; V173-T183 HydrophobicContact CG2-CG2 4.06Å; V181-T183 HydrophobicContact CG1-CG2 4.46Å; T183-L192 PolarHBondContact OG1-O 3.27Å; T183-H194 PolarHBondContact OG1-CE1 3.45Å; T183-H194 PolarHBondContact OG1-NE2 3.5Å; T183-R204 PolarHBondContact N-O 3.03Å; T183-R204 PolarHBondContact O-N 3.44Å; T183-V206 HydrophobicContact CG2-CG2 3.73Å; T183-V206 WeakPolarHBondContact OG1-CG2 3.4Å; T183-W236 HydrophobicContact CG2-CZ2 4.37Å
184W95.8Very high96.2Very high48 Ų4824.5 Ų24.518%0.18215%0.153CC..EExtended strand (participates in β ladder)trans-159.1172.217468.6102.6000111.1L165 H171 A172 L174 E200 E202 P203L165-W184 HydrophobicContact CD1-CH2 3.53Å; L165-W184 HydrophobicContact CD1-CZ2 4.12Å; L165-W184 HydrophobicContact CD1-CZ3 4.37Å; H171-W184 CarbonylContact C-O 3.54Å; H171-W184 VanDerWaalsContact CA-O 3.25Å; H171-W184 WeakPolarHBondContact CA-O 3.48Å; H171-W184 WeakPolarHBondContact CB-O 3.34Å; A172-W184 HydrophobicContact CB-CD2 3.91Å; A172-W184 HydrophobicContact CB-CE3 4.17Å; A172-W184 HydrophobicContact CB-CH2 3.84Å; A172-W184 HydrophobicContact CB-CZ2 3.53Å; A172-W184 HydrophobicContact CB-CZ3 4.14Å; A172-W184 PolarHBondContact N-O 2.99Å; A172-W184 PolarHBondContact O-N 3.29Å; L174-W184 HydrophobicContact CB-CH2 3.88Å; L174-W184 HydrophobicContact CB-CZ3 3.54Å; L174-W184 HydrophobicContact CD2-CZ3 4.44Å; W184-E200 HydrophobicContact CB-CB 4.35Å; W184-E202 VanDerWaalsContact CB-C 3.46Å; W184-E202 VanDerWaalsContact CB-O 3.29Å; W184-E202 WeakPolarHBondContact CB-O 3.43Å; W184-P203 HydrophobicContact CD2-CB 4.17Å; W184-P203 HydrophobicContact CD2-CG 3.84Å; W184-P203 HydrophobicContact CE3-CB 3.59Å; W184-P203 HydrophobicContact CE3-CG 3.67Å; W184-P203 HydrophobicContact CG-CG 4.43Å; W184-P203 HydrophobicContact CH2-CG 4.22Å; W184-P203 HydrophobicContact CZ2-CG 4.38Å; W184-P203 HydrophobicContact CZ3-CB 3.87Å; W184-P203 HydrophobicContact CZ3-CG 3.87Å
185G94.6Very high96.3Very high22 Ų2226 Ų2623%0.22717%0.168CC..EExtended strand (participates in β ladder)trans103.1-147.8-173.700000112.1G187 S199 E200G185-G187 PolarHBondContact O-N 2.78Å; G185-S199 VanDerWaalsContact O-CA 3.28Å; G185-S199 WeakPolarHBondContact O-CA 3.39Å; G185-S199 VanDerWaalsContact O-CB 3.26Å; G185-S199 WeakPolarHBondContact O-CB 3.14Å; G185-E200 WeakPolarHBondContact CA-O 3.37Å; G185-E200 PolarHBondContact N-O 2.78Å; G185-E200 PolarHBondContact O-N 3.32Å
186Q95.3Very high96.2Very high63 Ų6327.4 Ų27.429%0.29418%0.183SC..  trans-66.4128-179.6-171.763.646.200111.1E170 S188 Q191 S199E170-Q186 HydrophobicContact CB-CB 3.55Å; E170-Q186 HydrophobicContact CB-CG 4.31Å; E170-Q186 WeakPolarHBondContact O-CB 3.34Å; E170-Q186 PolarHBondContact O-N 2.83Å; Q186-S188 VanDerWaalsContact NE2-CB 3.31Å; Q186-S188 PolarHBondContact NE2-OG 2.87Å; Q186-Q191 WeakPolarHBondContact O-CG 3.41Å; Q186-Q191 PolarHBondContact O-NE2 2.79Å; Q186-Q191 PolarHBondContact O-OE1 2.87Å; Q186-S199 WeakPolarHBondContact CA-OG 3.34Å; Q186-S199 PolarHBondContact NE2-OG 3.18Å
187G95.8Very high96.3Very high1 Ų131.3 Ų31.31%0.0120%0.203CC..  trans-117.14.2-179.800000115.6G185 H189 G190 Q191 L197 S199G185-G187 PolarHBondContact O-N 2.78Å; G187-H189 PolarHBondContact O-N 2.9Å; G187-G190 PolarHBondContact O-N 2.81Å; G187-Q191 PolarHBondContact O-OE1 3Å; G187-L197 CarbonylContact O-C 3.47Å; G187-L197 WeakPolarHBondContact O-CA 3.4Å; G187-S199 PolarHBondContact N-OG 2.88Å; G187-S199 VanDerWaalsContact N-OG 3.1Å
188S96.9Very high96.5Very high45 Ų4534.4 Ų34.432%0.31521%0.21SC..THydrogen-bonded Turntrans-60.1-15.9-171.950.20000115.6Q186Q186-S188 VanDerWaalsContact NE2-CB 3.31Å; Q186-S188 PolarHBondContact NE2-OG 2.87Å
189H96.9Very high96.6Very high55 Ų5533.2 Ų33.226%0.25520%0.197SC..THydrogen-bonded Turntrans-115.317.4178.3-58.975.6000112.3G187 Q191 W222 G237 W238 I286G187-H189 PolarHBondContact O-N 2.9Å; H189-Q191 VanDerWaalsContact C-OE1 3.31Å; H189-Q191 VanDerWaalsContact CA-OE1 3.29Å; H189-Q191 PolarHBondContact O-N 3.24Å; H189-W222 HydrophobicContact CB-CB 4.42Å; H189-W222 AromaticContact CE1-CD1 3.96Å; H189-W222 AromaticContact ND1-CD1 3.78Å; H189-G237 CarbonylContact O-C 3.59Å; H189-G237 VanDerWaalsContact O-CA 3.22Å; H189-G237 WeakPolarHBondContact O-CA 3.26Å; H189-W238 HydrophobicContact CB-CB 3.97Å; H189-W238 AromaticContact CD2-CD1 3.57Å; H189-W238 AromaticContact CD2-CG 3.91Å; H189-W238 PolarHBondContact O-N 2.94Å; H189-I286 WeakPolarHBondContact O-CG2 3.37Å
190G97.8Very high96.5Very high0 Ų035.3 Ų35.30%021%0.206CC..SBendtrans72.88.5179.600000114.2G187 L192 G193G187-G190 PolarHBondContact O-N 2.81Å; G190-L192 PolarHBondContact O-N 3.33Å; G190-G193 PolarHBondContact O-N 3.2Å
191Q98.1Very high96Very high0 Ų042.4 Ų42.40%023%0.234CC..THydrogen-bonded Turntrans-66.2-7.9-174.765.7-96.462.500114.5H171 Q186 G187 H189 S224 W236H171-Q191 HydrophobicContact CB-CG 4.08Å; Q186-Q191 WeakPolarHBondContact O-CG 3.41Å; Q186-Q191 PolarHBondContact O-NE2 2.79Å; Q186-Q191 PolarHBondContact O-OE1 2.87Å; G187-Q191 PolarHBondContact O-OE1 3Å; H189-Q191 VanDerWaalsContact C-OE1 3.31Å; H189-Q191 VanDerWaalsContact CA-OE1 3.29Å; H189-Q191 PolarHBondContact O-N 3.24Å; Q191-S224 PolarHBondContact O-OG 3.41Å; Q191-W236 VanDerWaalsContact O-CD1 3.29Å; Q191-W236 PolarHBondContact O-NE1 3.25Å
192L98.3Very high95.5Very high2 Ų246 Ų461%0.0125%0.251CS..THydrogen-bonded Turntrans-88.5-18.9173.8-52.2-173.7000113.2H171 T183 G190 H194 I198 E200H171-L192 HydrophobicContact CB-CD2 3.8Å; T183-L192 PolarHBondContact OG1-O 3.27Å; G190-L192 PolarHBondContact O-N 3.33Å; L192-H194 VanDerWaalsContact C-N 3.28Å; L192-H194 PolarHBondContact O-N 2.9Å; L192-I198 WeakPolarHBondContact CD1-O 3.38Å; L192-E200 HydrophobicContact CD1-CB 3.95Å; L192-E200 HydrophobicContact CD1-CG 3.79Å
193G98.1Very high95.2Very high1 Ų144.8 Ų44.81%0.0125%0.249CC..  trans7613173.600000114.9G190 G195 A288 P290G190-G193 PolarHBondContact O-N 3.2Å; G193-G195 VanDerWaalsContact C-N 3.3Å; G193-G195 PolarHBondContact O-N 3.19Å; G193-A288 CarbonylContact C-O 3.09Å; G193-A288 WeakPolarHBondContact CA-O 3.29Å; G193-P290 WeakPolarHBondContact O-CD 3.26Å
194H98Very high95Very high32 Ų3249.2 Ų49.215%0.14827%0.266CS..SBendtrans-87.910.6-179.9-56.5-44.9000114.1T183 L192 G196 R204 T205 A288T183-H194 PolarHBondContact OG1-CE1 3.45Å; T183-H194 PolarHBondContact OG1-NE2 3.5Å; L192-H194 VanDerWaalsContact C-N 3.28Å; L192-H194 PolarHBondContact O-N 2.9Å; H194-G196 VanDerWaalsContact C-N 3.3Å; H194-G196 PolarHBondContact O-N 3.33Å; H194-R204 PolarHBondContact CE1-O 3.15Å; H194-T205 PolarHBondContact CE1-O 3.21Å; H194-T205 PolarHBondContact ND1-O 3.43Å; H194-A288 PolarHBondContact N-O 2.94Å
195G96.4Very high95Very high33 Ų3348 Ų4834%0.3426%0.264SS..SBendtrans81.43.6-179.700000115.8G193 A288 F289G193-G195 VanDerWaalsContact C-N 3.3Å; G193-G195 PolarHBondContact O-N 3.19Å; G195-A288 WeakPolarHBondContact CA-O 3.49Å; G195-A288 PolarHBondContact N-O 3.49Å; G195-F289 VanDerWaalsContact CA-CE1 3.42Å
196G95.2Very high95.2Very high31 Ų3147 Ų4732%0.3225%0.253SS..SBendtrans-138.4179.4-179.600000112.3H194H194-G196 VanDerWaalsContact C-N 3.3Å; H194-G196 PolarHBondContact O-N 3.33Å
197L97.6Very high95.2Very high91 Ų9148.5 Ų48.548%0.47626%0.26SS..SBendtrans-107.530.7-180-52.2-177000112.2G187 I286G187-L197 CarbonylContact O-C 3.47Å; G187-L197 WeakPolarHBondContact O-CA 3.4Å; L197-I286 HydrophobicContact CD1-CD1 4.33Å; L197-I286 HydrophobicContact CD2-CD1 4.22Å; L197-I286 HydrophobicContact CD2-CG2 3.86Å
198I96.6Very high95.3Very high126 Ų12651 Ų5165%0.64628%0.28SS*.  trans-100.5132.7-171.4-57.8172000108.5L192L192-I198 WeakPolarHBondContact CD1-O 3.38Å
199S94.1Very high95.3Very high53 Ų5349.2 Ų49.237%0.37127%0.268SS..  trans-74145.4173.3-59.70000111.1G185 Q186 G187G185-S199 VanDerWaalsContact O-CA 3.28Å; G185-S199 WeakPolarHBondContact O-CA 3.39Å; G185-S199 VanDerWaalsContact O-CB 3.26Å; G185-S199 WeakPolarHBondContact O-CB 3.14Å; Q186-S199 WeakPolarHBondContact CA-OG 3.34Å; Q186-S199 PolarHBondContact NE2-OG 3.18Å; G187-S199 PolarHBondContact N-OG 2.88Å; G187-S199 VanDerWaalsContact N-OG 3.1Å
200E92.6Very high95.1Very high47 Ų4754.2 Ų54.222%0.2228%0.284CS..EExtended strand (participates in β ladder)trans-119.6127.5177.9-64.7-71.7-18000108.2W184 G185 L192 E202 R204W184-E200 HydrophobicContact CB-CB 4.35Å; G185-E200 WeakPolarHBondContact CA-O 3.37Å; G185-E200 PolarHBondContact N-O 2.78Å; G185-E200 PolarHBondContact O-N 3.32Å; L192-E200 HydrophobicContact CD1-CB 3.95Å; L192-E200 HydrophobicContact CD1-CG 3.79Å; E200-E202 VanDerWaalsContact C-N 3.35Å; E200-R204 HydrophobicContact CG-CB 4.41Å; E200-R204 WeakPolarHBondContact OE1-CD 3.2Å; E200-R204 IonicContact OE1-CZ 3.47Å; E200-R204 IonicContact OE1-NE 3.42Å; E200-R204 IonicContact OE1-NH1 3.14Å; E200-R204 PolarHBondContact OE1-NH1 3.05Å
201E87.1Confident94.7Very high180 Ų18058.3 Ų58.384%0.84133%0.327SS*.EExtended strand (participates in β ladder)trans-79.6-23.3179.1-64.8-172.3164.200112.3
202E86.3Confident94.6Very high81 Ų8161.6 Ų61.638%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-122.7151.6-174.5-66-67.8162.400111R154 W184 E200 R204R154-E202 VanDerWaalsContact CD-OE1 3.32Å; R154-E202 WeakPolarHBondContact CD-OE1 3.01Å; R154-E202 IonicContact CZ-OE1 2.95Å; R154-E202 IonicContact NE-OE1 3.96Å; R154-E202 IonicContact NH1-OE1 2.82Å; R154-E202 PolarHBondContact NH1-OE1 3.22Å; W184-E202 VanDerWaalsContact CB-C 3.46Å; W184-E202 VanDerWaalsContact CB-O 3.29Å; W184-E202 WeakPolarHBondContact CB-O 3.43Å; E200-E202 VanDerWaalsContact C-N 3.35Å; E202-R204 PolarHBondContact O-N 2.8Å
203P91.6Very high94.6Very high29 Ų2964.7 Ų64.719%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-53.3115.1176.9-22.129.2000112.4L156 Y182 W184L156-P203 HydrophobicContact CD2-CG 3.47Å; L156-P203 VanDerWaalsContact CD2-CG 3.47Å; Y182-P203 HydrophobicContact CD1-CB 4.27Å; W184-P203 HydrophobicContact CD2-CB 4.17Å; W184-P203 HydrophobicContact CD2-CG 3.84Å; W184-P203 HydrophobicContact CE3-CB 3.59Å; W184-P203 HydrophobicContact CE3-CG 3.67Å; W184-P203 HydrophobicContact CG-CG 4.43Å; W184-P203 HydrophobicContact CH2-CG 4.22Å; W184-P203 HydrophobicContact CZ2-CG 4.38Å; W184-P203 HydrophobicContact CZ3-CB 3.87Å; W184-P203 HydrophobicContact CZ3-CG 3.87Å
204R92.5Very high94.5Very high94 Ų9464.8 Ų64.836%0.35536%0.362SS..EExtended strand (participates in β ladder)trans-111.6136.7174.8179.6177176.5-179-1.6110Y182 T183 H194 E200 E202Y182-R204 CarbonylContact C-O 3.59Å; Y182-R204 WeakPolarHBondContact CA-O 3.48Å; T183-R204 PolarHBondContact N-O 3.03Å; T183-R204 PolarHBondContact O-N 3.44Å; H194-R204 PolarHBondContact CE1-O 3.15Å; E200-R204 HydrophobicContact CG-CB 4.41Å; E200-R204 WeakPolarHBondContact OE1-CD 3.2Å; E200-R204 IonicContact OE1-CZ 3.47Å; E200-R204 IonicContact OE1-NE 3.42Å; E200-R204 IonicContact OE1-NH1 3.14Å; E200-R204 PolarHBondContact OE1-NH1 3.05Å; E202-R204 PolarHBondContact O-N 2.8Å
205T95.2Very high94.5Very high21 Ų2168.9 Ų68.913%0.12938%0.376CS..EExtended strand (participates in β ladder)trans-66138.7177.9-171.60000110.7H194 E207 W210H194-T205 PolarHBondContact CE1-O 3.21Å; H194-T205 PolarHBondContact ND1-O 3.43Å; T205-E207 HydrophobicContact CG2-CG 3.9Å; T205-E207 PolarHBondContact O-N 3.25Å; T205-E207 VanDerWaalsContact O-N 3.1Å; T205-W210 HydrophobicContact CG2-CH2 4.31Å; T205-W210 HydrophobicContact CG2-CZ2 3.53Å; T205-W210 PolarHBondContact OG1-NE1 3.39Å
206V98Very high94.5Very high2 Ų268.9 Ų68.91%0.01237%0.371CS..  trans-81.887.4173.7-174.60000108.3V181 T183 A208 L209 P290V181-V206 HydrophobicContact CB-CG2 4.47Å; V181-V206 HydrophobicContact CG1-CG2 4Å; V181-V206 PolarHBondContact O-N 3.21Å; T183-V206 HydrophobicContact CG2-CG2 3.73Å; T183-V206 WeakPolarHBondContact OG1-CG2 3.4Å; V206-A208 PolarHBondContact O-N 3.03Å; V206-A208 VanDerWaalsContact O-N 3.14Å; V206-L209 HydrophobicContact CB-CD1 4.22Å; V206-L209 HydrophobicContact CG1-CD1 3.93Å; V206-L209 HydrophobicContact CG1-CG 4.04Å; V206-L209 PolarHBondContact O-N 3.39Å; V206-P290 HydrophobicContact CG1-CG 3.64Å
207E96.9Very high94.7Very high95 Ų9567.9 Ų67.944%0.44436%0.359SS..G310 helixtrans-57.4-30.2-172.1-60.7-174.3154.300113.8T205 L209 W210T205-E207 HydrophobicContact CG2-CG 3.9Å; T205-E207 PolarHBondContact O-N 3.25Å; T205-E207 VanDerWaalsContact O-N 3.1Å; E207-L209 PolarHBondContact O-N 2.95Å; E207-L209 VanDerWaalsContact O-N 3.14Å; E207-W210 HydrophobicContact CB-CD2 4.09Å; E207-W210 HydrophobicContact CB-CE3 3.57Å; E207-W210 HydrophobicContact CB-CH2 4.15Å; E207-W210 HydrophobicContact CB-CZ3 3.6Å; E207-W210 HydrophobicContact CG-CD2 4.28Å; E207-W210 HydrophobicContact CG-CE3 3.86Å; E207-W210 HydrophobicContact CG-CH2 3.46Å; E207-W210 VanDerWaalsContact CG-CH2 3.46Å; E207-W210 HydrophobicContact CG-CZ2 3.9Å; E207-W210 HydrophobicContact CG-CZ3 3.42Å; E207-W210 VanDerWaalsContact CG-CZ3 3.42Å; E207-W210 WeakPolarHBondContact O-CB 3.34Å; E207-W210 PolarHBondContact O-N 2.8Å; E207-W210 VanDerWaalsContact OE1-CH2 3.23Å; E207-W210 WeakPolarHBondContact OE1-CH2 3.41Å
208A97.3Very high94.7Very high52 Ų5263.9 Ų63.943%0.4334%0.339SS..G310 helixtrans-63-17.417700000113.9V206 F289 P290V206-A208 PolarHBondContact O-N 3.03Å; V206-A208 VanDerWaalsContact O-N 3.14Å; A208-F289 HydrophobicContact CB-CD1 3.86Å; A208-F289 HydrophobicContact CB-CE1 4.41Å; A208-P290 HydrophobicContact CB-CG 4.26Å
209L97.1Very high94.8Very high9 Ų958.5 Ų58.55%0.04731%0.313CS..G310 helixtrans-100.76.1176.1-60.9173.1000112.6V181 V206 E207 M212 Y234 W236 P290V181-L209 HydrophobicContact CB-CD1 4.22Å; V181-L209 HydrophobicContact CG2-CD1 4.29Å; V206-L209 HydrophobicContact CB-CD1 4.22Å; V206-L209 HydrophobicContact CG1-CD1 3.93Å; V206-L209 HydrophobicContact CG1-CG 4.04Å; V206-L209 PolarHBondContact O-N 3.39Å; E207-L209 PolarHBondContact O-N 2.95Å; E207-L209 VanDerWaalsContact O-N 3.14Å; L209-M212 WeakPolarHBondContact O-CB 3.18Å; L209-M212 PolarHBondContact O-N 3.15Å; L209-M212 VanDerWaalsContact O-N 3.15Å; L209-Y234 HydrophobicContact CD2-CD1 4.24Å; L209-Y234 HydrophobicContact CD2-CG 4.16Å; L209-W236 HydrophobicContact CD1-CH2 4.09Å; L209-W236 HydrophobicContact CD1-CZ3 4.26Å; L209-P290 HydrophobicContact CD1-CB 4.48Å; L209-P290 HydrophobicContact CD1-CG 4.07Å; L209-P290 HydrophobicContact CD2-CB 3.73Å; L209-P290 HydrophobicContact CD2-CG 4.01Å; L209-P290 HydrophobicContact CG-CB 4.15Å; L209-P290 HydrophobicContact CG-CG 3.84Å
210W91.8Very high94.9Very high159 Ų15956.1 Ų56.160%0.60230%0.298SS*.THydrogen-bonded Turntrans-61.1141.2-179.8-88.8-29.9000112.5T205 E207 M212T205-W210 HydrophobicContact CG2-CH2 4.31Å; T205-W210 HydrophobicContact CG2-CZ2 3.53Å; T205-W210 PolarHBondContact OG1-NE1 3.39Å; E207-W210 HydrophobicContact CB-CD2 4.09Å; E207-W210 HydrophobicContact CB-CE3 3.57Å; E207-W210 HydrophobicContact CB-CH2 4.15Å; E207-W210 HydrophobicContact CB-CZ3 3.6Å; E207-W210 HydrophobicContact CG-CD2 4.28Å; E207-W210 HydrophobicContact CG-CE3 3.86Å; E207-W210 HydrophobicContact CG-CH2 3.46Å; E207-W210 VanDerWaalsContact CG-CH2 3.46Å; E207-W210 HydrophobicContact CG-CZ2 3.9Å; E207-W210 HydrophobicContact CG-CZ3 3.42Å; E207-W210 VanDerWaalsContact CG-CZ3 3.42Å; E207-W210 WeakPolarHBondContact O-CB 3.34Å; E207-W210 PolarHBondContact O-N 2.8Å; E207-W210 VanDerWaalsContact OE1-CH2 3.23Å; E207-W210 WeakPolarHBondContact OE1-CH2 3.41Å; W210-M212 PolarHBondContact O-N 3.02Å
211G90.5Very high95Very high87 Ų8754.3 Ų54.390%0.89729%0.291SS*.THydrogen-bonded Turntrans81.2-7.5-175.800000114
212M95.9Very high95.5Very high68 Ų6848.8 Ų48.834%0.33526%0.263SS..  trans-103.9132.9175.8-52.4-174.868.500110L209 W210 M214 Y234L209-M212 WeakPolarHBondContact O-CB 3.18Å; L209-M212 PolarHBondContact O-N 3.15Å; L209-M212 VanDerWaalsContact O-N 3.15Å; W210-M212 PolarHBondContact O-N 3.02Å; M212-M214 HydrophobicContact CB-CE 3.36Å; M212-M214 HydrophobicContact CE-CE 4.21Å; M212-Y234 HydrophobicContact CE-CE1 4.39Å; M212-Y234 HydrophobicContact CE-CE2 3.7Å; M212-Y234 VanDerWaalsContact CE-CZ 3.43Å; M212-Y234 WeakPolarHBondContact CE-OH 3.49Å
213T97Very high96.1Very high68 Ų6845 Ų4542%0.41725%0.245SC..  trans-92115.4178.8-53.50000109.2D229T213-D229 WeakPolarHBondContact CB-OD2 3.22Å; T213-D229 WeakPolarHBondContact CG2-OD2 3.24Å; T213-D229 PolarHBondContact O-N 3.21Å
214M97.8Very high96.4Very high3 Ų343.6 Ų43.62%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-91.4144.2177.3-59.3-62.4110.600111L175 G179 V181 M212 C226 Y234L175-M214 HydrophobicContact CD1-CB 3.83Å; G179-M214 WeakPolarHBondContact CA-O 3.45Å; G179-M214 WeakPolarHBondContact O-CB 3.43Å; G179-M214 PolarHBondContact O-N 3.38Å; V181-M214 HydrophobicContact CG2-CB 3.86Å; V181-M214 HydrophobicContact CG2-CG 3.64Å; M212-M214 HydrophobicContact CB-CE 3.36Å; M212-M214 HydrophobicContact CE-CE 4.21Å; M214-C226 HydrophobicContact CG-CB 4.45Å; M214-C226 HydrophobicContact SD-CB 4.22Å; M214-Y234 HydrophobicContact SD-CD2 4.4Å
215R97Very high96.7Very high117 Ų11739.1 Ų39.144%0.44222%0.219SC..EExtended strand (participates in β ladder)trans-108.9-27.3-179.964.4-178.5-64.3160.80.1114.4L175 V227 G228 D229L175-R215 VanDerWaalsContact CD2-C 3.45Å; L175-R215 VanDerWaalsContact CD2-O 3.25Å; L175-R215 WeakPolarHBondContact CD2-O 3.35Å; R215-V227 HydrophobicContact CG-CB 4.3Å; R215-V227 HydrophobicContact CG-CG1 4.19Å; R215-V227 WeakPolarHBondContact CG-O 3.44Å; R215-V227 PolarHBondContact N-O 2.87Å; R215-G228 VanDerWaalsContact CD-O 3.31Å; R215-G228 WeakPolarHBondContact CD-O 3.39Å; R215-D229 WeakPolarHBondContact CB-OD1 3.48Å
216S96.9Very high96.9Very high33 Ų3338.1 Ų38.123%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-147.4150.9-176.1-1680000111.3C226 V227S216-C226 CarbonylContact O-C 3.04Å; S216-C226 VanDerWaalsContact O-CA 3.26Å; S216-C226 WeakPolarHBondContact O-CA 3.32Å; S216-C226 WeakPolarHBondContact O-CB 3.4Å; S216-V227 PolarHBondContact O-N 2.86Å
217V98.3Very high96.9Very high10 Ų1038 Ų386%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-136.5147.6176.9-65.60000109.8A166 V173 L175 V181 V225 C226A166-V217 HydrophobicContact CB-CG2 4.18Å; V173-V217 HydrophobicContact CG1-CB 3.85Å; V173-V217 HydrophobicContact CG1-CG1 3.91Å; V173-V217 HydrophobicContact CG1-CG2 4.35Å; L175-V217 HydrophobicContact CB-CG1 3.92Å; L175-V217 HydrophobicContact CB-CG2 3.82Å; L175-V217 HydrophobicContact CD1-CG1 4.37Å; V181-V217 HydrophobicContact CG1-CG1 4.41Å; V181-V217 HydrophobicContact CG2-CG1 4Å; V217-V225 CarbonylContact C-O 3.59Å; V217-V225 WeakPolarHBondContact CA-O 2.95Å; V217-C226 HydrophobicContact CG1-CB 3.9Å
218A98.3Very high96.9Very high8 Ų833.6 Ų33.67%0.06619%0.192CC..EExtended strand (participates in β ladder)trans-141.3156.1170.700000109.5V225 V304 C306A218-V225 HydrophobicContact CB-CB 4.5Å; A218-V225 PolarHBondContact N-O 2.83Å; A218-V225 PolarHBondContact O-N 2.85Å; A218-V225 VanDerWaalsContact O-O 3.11Å; A218-V304 HydrophobicContact CB-CG1 4.04Å; A218-V304 HydrophobicContact CB-CG2 4.17Å; A218-C306 HydrophobicContact CB-CB 4.35Å
219A97.9Very high96.9Very high12 Ų1235.7 Ų35.710%0.09920%0.196CC..EExtended strand (participates in β ladder)trans-139.8130.218000000109.1A166 V173 C306A166-A219 HydrophobicContact CB-CB 3.95Å; V173-A219 HydrophobicContact CG2-CB 3.87Å; A219-C306 VanDerWaalsContact C-CB 3.46Å
220G96.6Very high96.7Very high4 Ų437.4 Ų37.44%0.04122%0.216CC..  trans-100.5-163.917300000112G168 G169 H171 W222 H223 G307G168-G220 CarbonylContact C-O 3.56Å; G168-G220 WeakPolarHBondContact CA-O 3.4Å; G169-G220 PolarHBondContact N-O 3Å; H171-G220 PolarHBondContact CE1-O 3.14Å; G220-W222 PolarHBondContact O-N 2.88Å; G220-H223 PolarHBondContact N-O 3.36Å; G220-G307 CarbonylContact C-O 3.06Å; G220-G307 WeakPolarHBondContact CA-O 3.3Å
221G95.8Very high97Very high8 Ų830 Ų308%0.08219%0.189CC..SBendtrans-57.9-46.4-179.800000113.1G169 G307 S308G169-G221 PolarHBondContact N-O 2.94Å; G221-G307 PolarHBondContact N-O 3.46Å; G221-S308 WeakPolarHBondContact CA-O 3.42Å; G221-S308 PolarHBondContact N-O 3.18Å
222W97.4Very high97.3Very high65 Ų6529.5 Ų29.525%0.24617%0.166CC..SBendtrans-139.822.3-176-58.1-84.1000113.6H189 G220 W238 R309H189-W222 HydrophobicContact CB-CB 4.42Å; H189-W222 AromaticContact CE1-CD1 3.96Å; H189-W222 AromaticContact ND1-CD1 3.78Å; G220-W222 PolarHBondContact O-N 2.88Å; W222-W238 HydrophobicContact CB-CB 3.72Å; W222-W238 HydrophobicContact CB-CG 4.45Å; W222-W238 HydrophobicContact CE3-CE3 4.49Å; W222-W238 WeakPolarHBondContact O-CB 3.49Å; W222-W238 PolarHBondContact O-N 2.82Å; W222-R309 HydrophobicContact CE3-CG 4.06Å; W222-R309 HydrophobicContact CZ3-CG 3.75Å; W222-R309 VanDerWaalsContact CZ3-NE 3.26Å
223H98.6Very high97.4Very high0 Ų026.3 Ų26.30%015%0.151CC..EExtended strand (participates in β ladder)trans-144.2162.1177.971.5-75.1000110.6H171 G220 W236 Q243 L244 C306 T311H171-H223 PolarHBondContact CE1-O 3.26Å; H171-H223 PolarHBondContact NE2-O 3.02Å; G220-H223 PolarHBondContact N-O 3.36Å; H223-W236 CarbonylContact C-O 3.54Å; H223-W236 VanDerWaalsContact CA-O 3.26Å; H223-W236 WeakPolarHBondContact CA-O 3.27Å; H223-W236 WeakPolarHBondContact CB-O 3.44Å; H223-Q243 HydrophobicContact CB-CG 4.32Å; H223-L244 HydrophobicContact CB-CD2 3.6Å; H223-C306 WeakPolarHBondContact NE2-CB 3.35Å; H223-C306 PolarHBondContact NE2-SG 2.82Å; H223-T311 PolarHBondContact NE2-OG1 3.23Å
224S98.8Very high97.5Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-133.8149.2-178.9-64.70000109.1H171 V173 Q191 V235 W236H171-S224 PolarHBondContact CD2-OG 3.12Å; H171-S224 PolarHBondContact NE2-OG 2.92Å; V173-S224 WeakPolarHBondContact CG2-OG 3.31Å; Q191-S224 PolarHBondContact O-OG 3.41Å; S224-V235 WeakPolarHBondContact O-CA 3.39Å; S224-W236 VanDerWaalsContact CB-CZ2 3.49Å; S224-W236 VanDerWaalsContact CB-NE1 3.3Å; S224-W236 PolarHBondContact N-O 3Å; S224-W236 PolarHBondContact O-N 3.07Å
225V98.6Very high97.5Very high0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-140.1141.4-177.4-171.90000109.5V217 A218 L233 Y234 V235 V304 C306 T311V217-V225 CarbonylContact C-O 3.59Å; V217-V225 WeakPolarHBondContact CA-O 2.95Å; A218-V225 HydrophobicContact CB-CB 4.5Å; A218-V225 PolarHBondContact N-O 2.83Å; A218-V225 PolarHBondContact O-N 2.85Å; A218-V225 VanDerWaalsContact O-O 3.11Å; V225-L233 HydrophobicContact CG1-CD1 3.34Å; V225-L233 HydrophobicContact CG1-CG 4.31Å; V225-Y234 CarbonylContact C-O 3.55Å; V225-Y234 VanDerWaalsContact CA-O 3.26Å; V225-Y234 WeakPolarHBondContact CA-O 3.34Å; V225-Y234 WeakPolarHBondContact CG1-O 3.35Å; V225-V235 HydrophobicContact CB-CG1 4.45Å; V225-V235 HydrophobicContact CG1-CG1 3.93Å; V225-V235 HydrophobicContact CG2-CB 4.47Å; V225-V235 HydrophobicContact CG2-CG1 3.94Å; V225-V304 HydrophobicContact CB-CG2 4.11Å; V225-V304 HydrophobicContact CG1-CG1 4.44Å; V225-V304 HydrophobicContact CG1-CG2 3.63Å; V225-C306 WeakPolarHBondContact CG2-SG 3.35Å; V225-T311 HydrophobicContact CG2-CG2 4.17Å
226C98.3Very high97.6Very high0 Ų018.8 Ų18.80%011%0.114CC..EExtended strand (participates in β ladder)trans-138158.6167.168.40000111.5M214 S216 V217 Y234 W236M214-C226 HydrophobicContact CG-CB 4.45Å; M214-C226 HydrophobicContact SD-CB 4.22Å; S216-C226 CarbonylContact O-C 3.04Å; S216-C226 VanDerWaalsContact O-CA 3.26Å; S216-C226 WeakPolarHBondContact O-CA 3.32Å; S216-C226 WeakPolarHBondContact O-CB 3.4Å; V217-C226 HydrophobicContact CG1-CB 3.9Å; C226-Y234 PolarHBondContact N-O 3.12Å; C226-Y234 PolarHBondContact O-N 2.87Å; C226-W236 HydrophobicContact CB-CH2 4.13Å; C226-W236 HydrophobicContact CB-CZ3 4.33Å; C226-W236 VanDerWaalsContact SG-CZ3 3.56Å
227V98.4Very high97.7Very high0 Ų017.2 Ų17.20%010%0.103CC..EExtended strand (participates in β ladder)trans-120.3128.9178.1-178.30000108.4R215 S216 D232 L233 I301 V304R215-V227 HydrophobicContact CG-CB 4.3Å; R215-V227 HydrophobicContact CG-CG1 4.19Å; R215-V227 WeakPolarHBondContact CG-O 3.44Å; R215-V227 PolarHBondContact N-O 2.87Å; S216-V227 PolarHBondContact O-N 2.86Å; V227-D232 CarbonylContact C-O 3.57Å; V227-D232 VanDerWaalsContact CA-O 3.3Å; V227-D232 WeakPolarHBondContact CA-O 3.23Å; V227-L233 HydrophobicContact CG2-CD1 3.94Å; V227-I301 HydrophobicContact CG1-CB 4.08Å; V227-I301 HydrophobicContact CG1-CG2 4.32Å; V227-I301 WeakPolarHBondContact CG1-O 3.29Å; V227-I301 HydrophobicContact CG2-CB 4.29Å; V227-I301 HydrophobicContact CG2-CG2 3.79Å; V227-V304 HydrophobicContact CG2-CB 4.17Å; V227-V304 HydrophobicContact CG2-CG1 3.67Å
228G97.6Very high97.6Very high3 Ų318.6 Ų18.63%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-73.5164.9174.200000112.7R215 G230 G231 D232R215-G228 VanDerWaalsContact CD-O 3.31Å; R215-G228 WeakPolarHBondContact CD-O 3.39Å; G228-G230 PolarHBondContact O-N 3.01Å; G228-G231 PolarHBondContact O-N 2.82Å; G228-D232 PolarHBondContact N-O 2.8Å
229D95.7Very high97.5Very high95 Ų9518.2 Ų18.251%0.50811%0.105SC..THydrogen-bonded Turntrans-57.5-34175.7-84.6-11.3000113.1T213 R215 G231T213-D229 WeakPolarHBondContact CB-OD2 3.22Å; T213-D229 WeakPolarHBondContact CG2-OD2 3.24Å; T213-D229 PolarHBondContact O-N 3.21Å; R215-D229 WeakPolarHBondContact CB-OD1 3.48Å; D229-G231 PolarHBondContact O-N 3.37Å
230G94.6Very high97.3Very high45 Ų4520.7 Ų20.746%0.46411%0.114SC..THydrogen-bonded Turntrans-76.40.9175.200000115.1G228G228-G230 PolarHBondContact O-N 3.01Å
231G96.4Very high97.2Very high4 Ų420.9 Ų20.94%0.04112%0.115CC..  trans85.14.7-178.900000114.9G228 D229 I301G228-G231 PolarHBondContact O-N 2.82Å; D229-G231 PolarHBondContact O-N 3.37Å; G231-I301 WeakPolarHBondContact O-CB 3.25Å; G231-I301 PolarHBondContact O-N 3.04Å
232D97.3Very high97.2Very high76 Ų7620.5 Ų20.541%0.40611%0.111SC..  trans-65.1134.6174.4-63.1-47.6000111.5V227 G228 Y234 L292V227-D232 CarbonylContact C-O 3.57Å; V227-D232 VanDerWaalsContact CA-O 3.3Å; V227-D232 WeakPolarHBondContact CA-O 3.23Å; G228-D232 PolarHBondContact N-O 2.8Å; D232-Y234 HydrophobicContact CB-CD2 4.44Å; D232-Y234 HydrophobicContact CB-CE2 3.62Å; D232-L292 HydrophobicContact CB-CD1 3.89Å
233L98.3Very high97.2Very high2 Ų217.4 Ų17.41%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-99.9120.1-178.5-176.465.7000111.2V225 V227 V235 L292 V293 V295 I301 V304 W323V225-L233 HydrophobicContact CG1-CD1 3.34Å; V225-L233 HydrophobicContact CG1-CG 4.31Å; V227-L233 HydrophobicContact CG2-CD1 3.94Å; L233-V235 HydrophobicContact CG-CG1 4.28Å; L233-L292 WeakPolarHBondContact O-CA 3.33Å; L233-V293 HydrophobicContact CB-CB 4.45Å; L233-V293 HydrophobicContact CD2-CB 4.06Å; L233-V293 HydrophobicContact CD2-CG1 4.28Å; L233-V293 HydrophobicContact CG-CB 4.3Å; L233-V293 PolarHBondContact O-N 2.91Å; L233-V295 HydrophobicContact CD2-CG2 4.17Å; L233-I301 HydrophobicContact CB-CG1 4.05Å; L233-V304 HydrophobicContact CD1-CG2 4.46Å; L233-W323 HydrophobicContact CD2-CH2 3.6Å; L233-W323 HydrophobicContact CD2-CZ2 3.87Å
234Y98.5Very high97.1Very high29 Ų2917.4 Ų17.411%0.11410%0.099CC..EExtended strand (participates in β ladder)trans-113.8133.4175.5-64.3-88.5000111.3L209 M212 M214 V225 C226 D232 P290 A291 L292L209-Y234 HydrophobicContact CD2-CD1 4.24Å; L209-Y234 HydrophobicContact CD2-CG 4.16Å; M212-Y234 HydrophobicContact CE-CE1 4.39Å; M212-Y234 HydrophobicContact CE-CE2 3.7Å; M212-Y234 VanDerWaalsContact CE-CZ 3.43Å; M212-Y234 WeakPolarHBondContact CE-OH 3.49Å; M214-Y234 HydrophobicContact SD-CD2 4.4Å; V225-Y234 CarbonylContact C-O 3.55Å; V225-Y234 VanDerWaalsContact CA-O 3.26Å; V225-Y234 WeakPolarHBondContact CA-O 3.34Å; V225-Y234 WeakPolarHBondContact CG1-O 3.35Å; C226-Y234 PolarHBondContact N-O 3.12Å; C226-Y234 PolarHBondContact O-N 2.87Å; D232-Y234 HydrophobicContact CB-CD2 4.44Å; D232-Y234 HydrophobicContact CB-CE2 3.62Å; Y234-P290 HydrophobicContact CD1-CB 4.42Å; Y234-A291 CarbonylContact C-O 3.6Å; Y234-A291 VanDerWaalsContact CA-O 3.27Å; Y234-A291 WeakPolarHBondContact CA-O 3.39Å; Y234-L292 HydrophobicContact CD1-CB 4.33Å; Y234-L292 HydrophobicContact CE1-CB 3.95Å; Y234-L292 HydrophobicContact CE1-CD1 4.09Å; Y234-L292 HydrophobicContact CE2-CD1 4.39Å
235V98.6Very high97Very high0 Ų017.9 Ų17.90%010%0.104CC..EExtended strand (participates in β ladder)trans-132.2149.9-177.9-56.90000111.2S224 V225 L233 L244 L246 A291 V293S224-V235 WeakPolarHBondContact O-CA 3.39Å; V225-V235 HydrophobicContact CB-CG1 4.45Å; V225-V235 HydrophobicContact CG1-CG1 3.93Å; V225-V235 HydrophobicContact CG2-CB 4.47Å; V225-V235 HydrophobicContact CG2-CG1 3.94Å; L233-V235 HydrophobicContact CG-CG1 4.28Å; V235-L244 HydrophobicContact CB-CB 4.42Å; V235-L244 HydrophobicContact CB-CD2 4.25Å; V235-L244 HydrophobicContact CG2-CB 3.81Å; V235-L244 HydrophobicContact CG2-CD2 4.42Å; V235-L244 WeakPolarHBondContact CG2-O 3.29Å; V235-L246 HydrophobicContact CG2-CD1 4.42Å; V235-A291 PolarHBondContact N-O 3.01Å; V235-A291 PolarHBondContact O-N 2.85Å; V235-V293 HydrophobicContact CB-CG2 3.99Å; V235-V293 HydrophobicContact CG1-CG2 3.54Å; V235-V293 HydrophobicContact CG2-CG2 3.23Å
236W98.8Very high96.8Very high0 Ų019 Ų190%011%0.11CC..EExtended strand (participates in β ladder)trans-157.4161.9172.558.595.7000111.6T183 Q191 L209 H223 S224 C226 Q287 P290T183-W236 HydrophobicContact CG2-CZ2 4.37Å; Q191-W236 VanDerWaalsContact O-CD1 3.29Å; Q191-W236 PolarHBondContact O-NE1 3.25Å; L209-W236 HydrophobicContact CD1-CH2 4.09Å; L209-W236 HydrophobicContact CD1-CZ3 4.26Å; H223-W236 CarbonylContact C-O 3.54Å; H223-W236 VanDerWaalsContact CA-O 3.26Å; H223-W236 WeakPolarHBondContact CA-O 3.27Å; H223-W236 WeakPolarHBondContact CB-O 3.44Å; S224-W236 VanDerWaalsContact CB-CZ2 3.49Å; S224-W236 VanDerWaalsContact CB-NE1 3.3Å; S224-W236 PolarHBondContact N-O 3Å; S224-W236 PolarHBondContact O-N 3.07Å; C226-W236 HydrophobicContact CB-CH2 4.13Å; C226-W236 HydrophobicContact CB-CZ3 4.33Å; C226-W236 VanDerWaalsContact SG-CZ3 3.56Å; W236-Q287 WeakPolarHBondContact CA-O 3.46Å; W236-Q287 VanDerWaalsContact CB-O 3.28Å; W236-Q287 WeakPolarHBondContact CB-O 3.47Å; W236-P290 HydrophobicContact CD2-CB 4.3Å; W236-P290 HydrophobicContact CD2-CG 3.93Å; W236-P290 HydrophobicContact CE3-CB 3.6Å; W236-P290 HydrophobicContact CE3-CG 3.65Å; W236-P290 HydrophobicContact CG-CG 4.49Å; W236-P290 HydrophobicContact CZ3-CB 3.99Å; W236-P290 HydrophobicContact CZ3-CG 4Å
237G98.4Very high96.5Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans118.8-144.5179.500000113.4H189 I286 Q287H189-G237 CarbonylContact O-C 3.59Å; H189-G237 VanDerWaalsContact O-CA 3.22Å; H189-G237 WeakPolarHBondContact O-CA 3.26Å; G237-I286 WeakPolarHBondContact O-CA 3.4Å; G237-Q287 PolarHBondContact N-O 3.03Å; G237-Q287 PolarHBondContact O-N 3.38Å
238W97.3Very high96Very high40 Ų4021.1 Ų21.115%0.15212%0.123CC..EExtended strand (participates in β ladder)trans-81.4139.6-177.4-167.861.7000112.4H189 W222 E240 S241 Q243 R309H189-W238 HydrophobicContact CB-CB 3.97Å; H189-W238 AromaticContact CD2-CD1 3.57Å; H189-W238 AromaticContact CD2-CG 3.91Å; H189-W238 PolarHBondContact O-N 2.94Å; W222-W238 HydrophobicContact CB-CB 3.72Å; W222-W238 HydrophobicContact CB-CG 4.45Å; W222-W238 HydrophobicContact CE3-CE3 4.49Å; W222-W238 WeakPolarHBondContact O-CB 3.49Å; W222-W238 PolarHBondContact O-N 2.82Å; W238-E240 HydrophobicContact CD2-CB 4.35Å; W238-E240 HydrophobicContact CD2-CG 4.47Å; W238-E240 VanDerWaalsContact CE2-CG 3.49Å; W238-E240 HydrophobicContact CH2-CB 3.7Å; W238-E240 HydrophobicContact CH2-CG 4.45Å; W238-E240 HydrophobicContact CZ2-CB 3.27Å; W238-E240 HydrophobicContact CZ2-CG 3.54Å; W238-E240 HydrophobicContact CZ3-CB 4.44Å; W238-E240 VanDerWaalsContact NE1-CG 3.32Å; W238-S241 WeakPolarHBondContact CZ3-OG 3.07Å; W238-Q243 VanDerWaalsContact CZ3-NE2 3.33Å; W238-Q243 WeakPolarHBondContact O-CG 3.32Å; W238-Q243 PolarHBondContact O-OE1 2.82Å; W238-R309 HydrophobicContact CZ3-CG 4.16Å
239N96.4Very high95.1Very high0 Ų027.1 Ų27.10%015%0.145CC..  trans-133.311.4-172.7-164.842.8000115.8S241 G242 Q243 L244 L246 S248 I284 S285N239-S241 PolarHBondContact O-N 3.27Å; N239-S241 VanDerWaalsContact O-N 3.09Å; N239-G242 PolarHBondContact O-N 3.47Å; N239-G242 VanDerWaalsContact OD1-C 3.24Å; N239-G242 WeakPolarHBondContact OD1-CA 3.5Å; N239-Q243 PolarHBondContact OD1-N 3.29Å; N239-L244 HydrophobicContact CB-CB 4.26Å; N239-L244 HydrophobicContact CB-CD1 3.65Å; N239-L244 HydrophobicContact CB-CG 3.68Å; N239-L244 VanDerWaalsContact OD1-CB 3.22Å; N239-L244 WeakPolarHBondContact OD1-CB 3.34Å; N239-L244 WeakPolarHBondContact OD1-CG 3.25Å; N239-L244 PolarHBondContact OD1-N 2.84Å; N239-L246 PolarHBondContact ND2-O 2.84Å; N239-S248 VanDerWaalsContact O-CB 3.31Å; N239-S248 WeakPolarHBondContact O-CB 3.44Å; N239-I284 VanDerWaalsContact CB-O 3.29Å; N239-I284 WeakPolarHBondContact CB-O 3.34Å; N239-I284 PolarHBondContact ND2-O 2.94Å; N239-S285 PolarHBondContact N-O 2.72Å
240E93.7Very high93.9Very high63 Ų6324 Ų2429%0.29414%0.136SC..THydrogen-bonded Turntrans-65-18.5-178-64.9-71.2138.300113.8W238 S285W238-E240 HydrophobicContact CD2-CB 4.35Å; W238-E240 HydrophobicContact CD2-CG 4.47Å; W238-E240 VanDerWaalsContact CE2-CG 3.49Å; W238-E240 HydrophobicContact CH2-CB 3.7Å; W238-E240 HydrophobicContact CH2-CG 4.45Å; W238-E240 HydrophobicContact CZ2-CB 3.27Å; W238-E240 HydrophobicContact CZ2-CG 3.54Å; W238-E240 HydrophobicContact CZ3-CB 4.44Å; W238-E240 VanDerWaalsContact NE1-CG 3.32Å; E240-S285 WeakPolarHBondContact OE1-CA 3.48Å; E240-S285 WeakPolarHBondContact OE1-CB 3.37Å; E240-S285 PolarHBondContact OE1-OG 2.78Å
241S94.2Very high93Very high9 Ų923.2 Ų23.26%0.06312%0.121CC..THydrogen-bonded Turntrans-98.95.1173.4-51.10000113.2W238 N239 Q243 G324 W325W238-S241 WeakPolarHBondContact CZ3-OG 3.07Å; N239-S241 PolarHBondContact O-N 3.27Å; N239-S241 VanDerWaalsContact O-N 3.09Å; S241-Q243 VanDerWaalsContact C-N 3.34Å; S241-G324 CarbonylContact O-C 3.07Å; S241-G324 WeakPolarHBondContact O-CA 3.13Å; S241-W325 PolarHBondContact O-N 2.99Å
242G95.6Very high91.7Very high0 Ų027 Ų270%013%0.134CC..SBendtrans80.26.4-178.100000115N239 L244 G245 W323N239-G242 PolarHBondContact O-N 3.47Å; N239-G242 VanDerWaalsContact OD1-C 3.24Å; N239-G242 WeakPolarHBondContact OD1-CA 3.5Å; G242-L244 PolarHBondContact O-N 3.21Å; G242-G245 PolarHBondContact O-N 3.43Å; G242-W323 VanDerWaalsContact O-CD1 3.27Å
243Q97.2Very high90.1Very high0 Ų028.5 Ų28.50%014%0.137CC..THydrogen-bonded Turntrans-62.8-14.4-172.758.4-97.576.900115.4H223 W238 N239 S241 G245 R309 T311 W323H223-Q243 HydrophobicContact CB-CG 4.32Å; W238-Q243 VanDerWaalsContact CZ3-NE2 3.33Å; W238-Q243 WeakPolarHBondContact O-CG 3.32Å; W238-Q243 PolarHBondContact O-OE1 2.82Å; N239-Q243 PolarHBondContact OD1-N 3.29Å; S241-Q243 VanDerWaalsContact C-N 3.34Å; Q243-G245 VanDerWaalsContact C-N 3.34Å; Q243-R309 WeakPolarHBondContact CB-O 3.31Å; Q243-T311 PolarHBondContact O-OG1 2.68Å; Q243-W323 PolarHBondContact O-NE1 2.86Å
244L97.7Very high88.4Confident0 Ų030.3 Ų30.30%015%0.152CC..THydrogen-bonded Turntrans-83.6-13.2174.1-53.7-169.2000111.9H223 V235 N239 G242 L246 Q287 V293H223-L244 HydrophobicContact CB-CD2 3.6Å; V235-L244 HydrophobicContact CB-CB 4.42Å; V235-L244 HydrophobicContact CB-CD2 4.25Å; V235-L244 HydrophobicContact CG2-CB 3.81Å; V235-L244 HydrophobicContact CG2-CD2 4.42Å; V235-L244 WeakPolarHBondContact CG2-O 3.29Å; N239-L244 HydrophobicContact CB-CB 4.26Å; N239-L244 HydrophobicContact CB-CD1 3.65Å; N239-L244 HydrophobicContact CB-CG 3.68Å; N239-L244 VanDerWaalsContact OD1-CB 3.22Å; N239-L244 WeakPolarHBondContact OD1-CB 3.34Å; N239-L244 WeakPolarHBondContact OD1-CG 3.25Å; N239-L244 PolarHBondContact OD1-N 2.84Å; G242-L244 PolarHBondContact O-N 3.21Å; L244-L246 HydrophobicContact CB-CB 4.3Å; L244-L246 HydrophobicContact CB-CD1 4.02Å; L244-L246 HydrophobicContact CB-CG 4.01Å; L244-L246 HydrophobicContact CD1-CD1 4.23Å; L244-Q287 HydrophobicContact CD1-CB 3.45Å; L244-Q287 VanDerWaalsContact CD1-CB 3.45Å; L244-Q287 HydrophobicContact CD1-CG 4.34Å; L244-V293 WeakPolarHBondContact O-CG2 3.42Å
245G95.6Very high86.8Confident10 Ų1032.7 Ų32.710%0.10317%0.173CC..SBendtrans71.129-17300000111.2G242 Q243 W323 D340G242-G245 PolarHBondContact O-N 3.43Å; Q243-G245 VanDerWaalsContact C-N 3.34Å; G245-W323 VanDerWaalsContact N-NE1 3.12Å; G245-D340 CarbonylContact C-O 3.19Å; G245-D340 WeakPolarHBondContact CA-O 3.45Å
246L94.4Very high85Confident23 Ų2338.4 Ų38.412%0.1220%0.2CC..SBendtrans-124.8151.9178.4-60.4176.5000108.9V235 N239 L244 S248 I284 Q287 A291 D340V235-L246 HydrophobicContact CG2-CD1 4.42Å; N239-L246 PolarHBondContact ND2-O 2.84Å; L244-L246 HydrophobicContact CB-CB 4.3Å; L244-L246 HydrophobicContact CB-CD1 4.02Å; L244-L246 HydrophobicContact CB-CG 4.01Å; L244-L246 HydrophobicContact CD1-CD1 4.23Å; L246-S248 PolarHBondContact O-N 2.78Å; L246-I284 HydrophobicContact CB-CD1 4.17Å; L246-I284 HydrophobicContact CD1-CD1 4.06Å; L246-Q287 HydrophobicContact CD1-CB 4.29Å; L246-Q287 HydrophobicContact CD1-CG 4Å; L246-A291 HydrophobicContact CD1-CB 3.98Å; L246-D340 PolarHBondContact N-O 3.25Å; L246-D340 VanDerWaalsContact N-O 3.12Å
247P91.4Very high83.1Confident44 Ų4444.4 Ų44.429%0.28623%0.228SC..  trans-50.3123.8-176.2-29.135.3000113.5I284P247-I284 PolarHBondContact O-N 2.92Å
248S87.7Confident81.3Confident0 Ų050.3 Ų50.30%025%0.254CS..  trans-117.3138.9-174.477.30000112.4N239 L246 L251 D340N239-S248 VanDerWaalsContact O-CB 3.31Å; N239-S248 WeakPolarHBondContact O-CB 3.44Å; L246-S248 PolarHBondContact O-N 2.78Å; S248-L251 WeakPolarHBondContact OG-CG 2.98Å; S248-D340 PolarHBondContact N-OD2 2.96Å; S248-D340 VanDerWaalsContact OG-CB 3.31Å; S248-D340 WeakPolarHBondContact OG-CB 3.09Å; S248-D340 PolarHBondContact OG-OD2 3.01Å
249R79.5Confident79.4Confident129 Ų12951.1 Ų51.149%0.48727%0.265SS..Hα-helixtrans-70.3-35.3-179.9-168.2178.2-177-168.81112.7L251 K253 F283R249-L251 VanDerWaalsContact C-N 3.33Å; R249-L251 PolarHBondContact O-N 2.73Å; R249-K253 HydrophobicContact CG-CD 4.49Å; R249-K253 PolarHBondContact O-N 2.8Å; R249-F283 HydrophobicContact CB-CB 4Å; R249-F283 HydrophobicContact CB-CD1 4.08Å; R249-F283 HydrophobicContact CB-CG 3.95Å; R249-F283 HydrophobicContact CG-CD2 4.4Å; R249-F283 HydrophobicContact CG-CG 4.31Å
250G71.6Confident77.6Confident31 Ų3156.2 Ų56.232%0.3229%0.292SS..Hα-helixtrans-61.2-40.1-175.600000112.9
251L74.4Confident75.7Confident27 Ų2760 Ų6014%0.14131%0.31CS..Hα-helixtrans-80.8-39-175-59.4-172.5000113.1S248 R249 K253 A254 S255 D340S248-L251 WeakPolarHBondContact OG-CG 2.98Å; R249-L251 VanDerWaalsContact C-N 3.33Å; R249-L251 PolarHBondContact O-N 2.73Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 2.83Å; L251-A254 WeakPolarHBondContact O-CB 3.49Å; L251-A254 PolarHBondContact O-N 2.95Å; L251-A254 VanDerWaalsContact O-N 3.13Å; L251-S255 PolarHBondContact O-N 3.02Å; L251-S255 PolarHBondContact O-OG 3.1Å; L251-D340 HydrophobicContact CD1-CB 3.71Å; L251-D340 VanDerWaalsContact CD1-N 3.3Å
252R69.8Low73.7Confident84 Ų8467.2 Ų67.232%0.31734%0.343SS..Hα-helixtrans-64.2-38.5178.4-63.9-148.9-169.6175.7-8.9113A254 S255 Q256 E281 F283R252-A254 VanDerWaalsContact C-N 3.32Å; R252-A254 PolarHBondContact O-N 3.1Å; R252-S255 PolarHBondContact O-N 3.27Å; R252-Q256 WeakPolarHBondContact O-CB 3.32Å; R252-Q256 PolarHBondContact O-N 2.88Å; R252-E281 VanDerWaalsContact CD-OE2 3.3Å; R252-E281 WeakPolarHBondContact CD-OE2 3.24Å; R252-E281 IonicContact CZ-OE2 2.63Å; R252-E281 IonicContact NE-OE2 2.68Å; R252-E281 IonicContact NH1-OE1 3.12Å; R252-E281 PolarHBondContact NH1-OE1 2.97Å; R252-E281 IonicContact NH1-OE2 3.36Å; R252-E281 PolarHBondContact NH1-OE2 2.83Å; R252-F283 HydrophobicContact CB-CE1 4Å; R252-F283 HydrophobicContact CB-CZ 4.43Å; R252-F283 HydrophobicContact CG-CE1 3.84Å
253K62.4Low71.6Confident107 Ų10770.2 Ų70.247%0.46537%0.368SS..Hα-helixtrans-59.1-41.9172.1-74.3-179177179.40112.4R249 L251 Q256 Q257R249-K253 HydrophobicContact CG-CD 4.49Å; R249-K253 PolarHBondContact O-N 2.8Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 2.83Å; K253-Q256 PolarHBondContact O-N 3.41Å; K253-Q257 WeakPolarHBondContact O-CB 3.15Å; K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3Å
254A62.4Low69.2Low41 Ų4173.4 Ų73.434%0.33940%0.401SS..Hα-helixtrans-67.9-37.7178.100000111.9L251 R252 K258L251-A254 WeakPolarHBondContact O-CB 3.49Å; L251-A254 PolarHBondContact O-N 2.95Å; L251-A254 VanDerWaalsContact O-N 3.13Å; R252-A254 VanDerWaalsContact C-N 3.32Å; R252-A254 PolarHBondContact O-N 3.1Å; A254-K258 WeakPolarHBondContact O-CG 3.34Å; A254-K258 PolarHBondContact O-N 2.83Å; A254-K258 VanDerWaalsContact O-N 3.16Å
255S66.1Low66.9Low78 Ų7882 Ų8255%0.54544%0.441SS..Hα-helixtrans-65-42.7174.7-61.40000112.2L251 R252 K258 S259L251-S255 PolarHBondContact O-N 3.02Å; L251-S255 PolarHBondContact O-OG 3.1Å; R252-S255 PolarHBondContact O-N 3.27Å; S255-K258 PolarHBondContact O-N 2.89Å; S255-S259 PolarHBondContact O-N 3.14Å
256Q60.9Low64.4Low120 Ų12092.4 Ų92.456%0.56148%0.477SS*.Hα-helixtrans-71-36.7-179.4-153.9155.21500112.5R252 K253 K258 S259 D260R252-Q256 WeakPolarHBondContact O-CB 3.32Å; R252-Q256 PolarHBondContact O-N 2.88Å; K253-Q256 PolarHBondContact O-N 3.41Å; Q256-K258 VanDerWaalsContact C-N 3.33Å; Q256-K258 PolarHBondContact O-N 3.39Å; Q256-S259 WeakPolarHBondContact CA-OG 3.27Å; Q256-S259 PolarHBondContact O-N 3.1Å; Q256-S259 PolarHBondContact O-OG 3.48Å; Q256-D260 VanDerWaalsContact O-CG 3.24Å; Q256-D260 PolarHBondContact O-N 2.91Å
257Q59.3Low61.9Low126 Ų12697.5 Ų97.559%0.58951%0.513SS*.Hα-helixtrans-65.3-34.6171.5-74.9-179.3-27.900112.9K253 Q261K253-Q257 WeakPolarHBondContact O-CB 3.15Å; K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3Å; Q257-Q261 WeakPolarHBondContact O-CB 3.38Å; Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.27Å; Q257-Q261 PolarHBondContact O-N 2.88Å; Q257-Q261 VanDerWaalsContact O-N 3.07Å
258K59.8Low59.7Low125 Ų12599.1 Ų99.154%0.54354%0.538SS..Hα-helixtrans-68.4-40.4174.1-77.2177.8-178.4177.80112A254 S255 Q256 Q261 Q262A254-K258 WeakPolarHBondContact O-CG 3.34Å; A254-K258 PolarHBondContact O-N 2.83Å; A254-K258 VanDerWaalsContact O-N 3.16Å; S255-K258 PolarHBondContact O-N 2.89Å; Q256-K258 VanDerWaalsContact C-N 3.33Å; Q256-K258 PolarHBondContact O-N 3.39Å; K258-Q261 PolarHBondContact O-N 3.48Å; K258-Q262 PolarHBondContact O-N 2.82Å; K258-Q262 VanDerWaalsContact O-N 3.09Å
259S58Low57.4Low57 Ų57104.4 Ų104.440%0.39958%0.575SS.*Hα-helixtrans-65.7-40.1176.258.40000112.1S255 Q256 Q262 A263S255-S259 PolarHBondContact O-N 3.14Å; Q256-S259 WeakPolarHBondContact CA-OG 3.27Å; Q256-S259 PolarHBondContact O-N 3.1Å; Q256-S259 PolarHBondContact O-OG 3.48Å; S259-Q262 PolarHBondContact O-N 2.95Å; S259-A263 WeakPolarHBondContact O-CB 3.48Å; S259-A263 PolarHBondContact O-N 3.04Å
260D56.9Low55.6Low106 Ų106108.4 Ų108.457%0.56760%0.596SS**Hα-helixtrans-69.5-35.4179-68.1-14.7000112.2Q256 A263 G264Q256-D260 VanDerWaalsContact O-CG 3.24Å; Q256-D260 PolarHBondContact O-N 2.91Å; D260-A263 PolarHBondContact O-N 3.03Å; D260-G264 PolarHBondContact O-N 3.34Å
261Q55.5Low53.9Low143 Ų143111.8 Ų111.867%0.66861%0.614SS**Hα-helixtrans-70.5-32.3174.5-76.2170.312.600112.9Q257 K258Q257-Q261 WeakPolarHBondContact O-CB 3.38Å; Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.27Å; Q257-Q261 PolarHBondContact O-N 2.88Å; Q257-Q261 VanDerWaalsContact O-N 3.07Å; K258-Q261 PolarHBondContact O-N 3.48Å
262Q52.3Low52.3Low160 Ų160117 Ų11775%0.74865%0.647SS**Hα-helixtrans-77.1-28.5172.7-79.8179.2-30.300113K258 S259K258-Q262 PolarHBondContact O-N 2.82Å; K258-Q262 VanDerWaalsContact O-N 3.09Å; S259-Q262 PolarHBondContact O-N 2.95Å
263A50Low50.7Low64 Ų64118.1 Ų118.153%0.52967%0.667SS.*Hα-helixtrans-75.6-24.9173.700000112.9S259 D260 E265 R266S259-A263 WeakPolarHBondContact O-CB 3.48Å; S259-A263 PolarHBondContact O-N 3.04Å; D260-A263 PolarHBondContact O-N 3.03Å; A263-E265 PolarHBondContact O-N 2.99Å; A263-E265 VanDerWaalsContact O-N 3.15Å; A263-R266 PolarHBondContact O-N 2.77Å; A263-R266 VanDerWaalsContact O-N 3.17Å
264G46.5Very low49.7Very low67 Ų67118.2 Ų118.269%0.69168%0.679SS**THydrogen-bonded Turntrans-64.7-10.8178.500000116.2D260D260-G264 PolarHBondContact O-N 3.34Å
265E49.5Very low48.6Very low180 Ų180124.5 Ų124.584%0.84171%0.707SS**THydrogen-bonded Turntrans-98.50.5174.9-73.4-171.915300114.1A263A263-E265 PolarHBondContact O-N 2.99Å; A263-E265 VanDerWaalsContact O-N 3.15Å
266R44.5Very low47.6Very low228 Ų228129.1 Ų129.186%0.8672%0.72SS**SBendtrans-126.887.9173.7-82.3-174.1175.6-174.80.3112.7A263A263-R266 PolarHBondContact O-N 2.77Å; A263-R266 VanDerWaalsContact O-N 3.17Å
267C40.3Very low46.8Very low131 Ų131131.7 Ų131.789%0.88573%0.732SS**  trans56.9126.4146.1-140.40000119.2S269C267-S269 PolarHBondContact O-N 2.88Å
268G46.5Very low46.1Very low77 Ų77133.5 Ų133.579%0.79474%0.744SS**  trans-64.5127.617000000112.8
269S38.7Very low45.5Very low111 Ų111135.3 Ų135.378%0.77676%0.755SS**  trans-156.5130.6145.161.70000108.7C267 S271C267-S269 PolarHBondContact O-N 2.88Å; S269-S271 PolarHBondContact O-N 2.94Å
270F42.9Very low45.4Very low214 Ų214141.1 Ų141.194%0.93978%0.775SS**  trans-61.5122172.1-89.2-101.2000109.4
271S36.1Very low45.9Very low101 Ų101141 Ų14171%0.70677%0.771SS**  trans-141.5100.2160.6-166.90000108.2S269S269-S271 PolarHBondContact O-N 2.94Å
272T39.6Very low47Very low136 Ų136139.8 Ų139.883%0.83477%0.774SS**  trans-78.9114.816639.50000108
273C36Very low48.7Very low108 Ų108135.5 Ų135.573%0.7375%0.753SS**  trans-126.3153.2168.3-790000109.8
274P42.2Very low50.6Low110 Ų110134.4 Ų134.471%0.71474%0.737SS**  trans-99159.2-136.435-29.8000114.3E276P274-E276 PolarHBondContact O-N 3.29Å
275D39Very low52.8Low172 Ų172133.5 Ų133.592%0.9272%0.72SS**  trans-9.185.5168.1-77.3-33.9000115.2
276E46Very low55Low176 Ų176128 Ų12882%0.82270%0.696SS**  trans-78.4125.4151.6-70.3-171.8169.800106.3P274 L278P274-E276 PolarHBondContact O-N 3.29Å; E276-L278 PolarHBondContact O-N 3.39Å
277E44Very low57.5Low173 Ų173119.2 Ų119.281%0.80867%0.665SS**  trans-48.3106.1169.2-78.1176.3151.600108H279E277-H279 PolarHBondContact O-N 3.16Å
278L44.1Very low60.2Low164 Ų164113.9 Ų113.986%0.85963%0.63SS**  trans-59.192.1170.7-86.5148.8000106.4E276 E280E276-L278 PolarHBondContact O-N 3.39Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 3.05Å
279H47.7Very low62.7Low164 Ų164115.3 Ų115.376%0.75962%0.615SS**  trans-54.3104.8158.5-77.1-66.8000105E277 E281E277-H279 PolarHBondContact O-N 3.16Å; H279-E281 VanDerWaalsContact C-N 3.33Å; H279-E281 PolarHBondContact O-N 3.22Å
280E56Low65.5Low178 Ų178111 Ų11183%0.83258%0.584SS**  trans-56.4103.3176.2-76.3-171.8158.600106.8L278 V282L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 3.05Å; E280-V282 PolarHBondContact O-N 2.88Å
281E65.9Low68.1Low103 Ų103101.6 Ų101.648%0.48155%0.546SS..  trans-59.7116.7-179.6-64.6-166.3148.500107.8R252 H279 F283R252-E281 VanDerWaalsContact CD-OE2 3.3Å; R252-E281 WeakPolarHBondContact CD-OE2 3.24Å; R252-E281 IonicContact CZ-OE2 2.63Å; R252-E281 IonicContact NE-OE2 2.68Å; R252-E281 IonicContact NH1-OE1 3.12Å; R252-E281 PolarHBondContact NH1-OE1 2.97Å; R252-E281 IonicContact NH1-OE2 3.36Å; R252-E281 PolarHBondContact NH1-OE2 2.83Å; H279-E281 VanDerWaalsContact C-N 3.33Å; H279-E281 PolarHBondContact O-N 3.22Å; E281-F283 HydrophobicContact CB-CD2 4.46Å; E281-F283 HydrophobicContact CB-CE1 4.31Å; E281-F283 HydrophobicContact CB-CE2 3.61Å; E281-F283 HydrophobicContact CB-CZ 3.53Å; E281-F283 HydrophobicContact CG-CZ 4.49Å; E281-F283 WeakPolarHBondContact O-CD2 3.32Å; E281-F283 WeakPolarHBondContact O-CE2 3.43Å; E281-F283 PolarHBondContact O-N 3.32Å; E281-F283 VanDerWaalsContact OE2-CZ 3.27Å; E281-F283 WeakPolarHBondContact OE2-CZ 3.42Å
282V79.8Confident71Confident118 Ų118101.5 Ų101.572%0.71554%0.537SS*.  trans-78.3117.9-178.4-179.50000108.1E280E280-V282 PolarHBondContact O-N 2.88Å
283F86.9Confident73.7Confident71 Ų7195.4 Ų95.431%0.31150%0.5SS..  trans-111142.3177.3-58.3-76.7000111R249 R252 E281R249-F283 HydrophobicContact CB-CB 4Å; R249-F283 HydrophobicContact CB-CD1 4.08Å; R249-F283 HydrophobicContact CB-CG 3.95Å; R249-F283 HydrophobicContact CG-CD2 4.4Å; R249-F283 HydrophobicContact CG-CG 4.31Å; R252-F283 HydrophobicContact CB-CE1 4Å; R252-F283 HydrophobicContact CB-CZ 4.43Å; R252-F283 HydrophobicContact CG-CE1 3.84Å; E281-F283 HydrophobicContact CB-CD2 4.46Å; E281-F283 HydrophobicContact CB-CE1 4.31Å; E281-F283 HydrophobicContact CB-CE2 3.61Å; E281-F283 HydrophobicContact CB-CZ 3.53Å; E281-F283 HydrophobicContact CG-CZ 4.49Å; E281-F283 WeakPolarHBondContact O-CD2 3.32Å; E281-F283 WeakPolarHBondContact O-CE2 3.43Å; E281-F283 PolarHBondContact O-N 3.32Å; E281-F283 VanDerWaalsContact OE2-CZ 3.27Å; E281-F283 WeakPolarHBondContact OE2-CZ 3.42Å
284I89.8Confident76.4Confident40 Ų4095.8 Ų95.821%0.20550%0.495CS..  trans-111.4108.1177.1-55.1-176.8000107.9N239 L246 P247 Q287N239-I284 VanDerWaalsContact CB-O 3.29Å; N239-I284 WeakPolarHBondContact CB-O 3.34Å; N239-I284 PolarHBondContact ND2-O 2.94Å; L246-I284 HydrophobicContact CB-CD1 4.17Å; L246-I284 HydrophobicContact CD1-CD1 4.06Å; P247-I284 PolarHBondContact O-N 2.92Å; I284-Q287 HydrophobicContact CG2-CB 3.97Å
285S93.3Very high78.8Confident48 Ų4890.9 Ų90.934%0.33646%0.462SS..SBendtrans-84.2-39.9172.7-71.80000112.1N239 E240N239-S285 PolarHBondContact N-O 2.72Å; E240-S285 WeakPolarHBondContact OE1-CA 3.48Å; E240-S285 WeakPolarHBondContact OE1-CB 3.37Å; E240-S285 PolarHBondContact OE1-OG 2.78Å
286I95.9Very high81.1Confident64 Ų6486.5 Ų86.533%0.32845%0.445SS..EExtended strand (participates in β ladder)trans-138.2133.5177.9-64.1172.7000108H189 L197 G237 A288H189-I286 WeakPolarHBondContact O-CG2 3.37Å; L197-I286 HydrophobicContact CD1-CD1 4.33Å; L197-I286 HydrophobicContact CD2-CD1 4.22Å; L197-I286 HydrophobicContact CD2-CG2 3.86Å; G237-I286 WeakPolarHBondContact O-CA 3.4Å; I286-A288 HydrophobicContact CG2-CB 4.41Å
287Q97.4Very high83.1Confident45 Ų4582.4 Ų82.421%0.2143%0.434CS..EExtended strand (participates in β ladder)trans-115.293.5173.2-177.350.549.400107.5W236 G237 L244 L246 I284 F289 A291W236-Q287 WeakPolarHBondContact CA-O 3.46Å; W236-Q287 VanDerWaalsContact CB-O 3.28Å; W236-Q287 WeakPolarHBondContact CB-O 3.47Å; G237-Q287 PolarHBondContact N-O 3.03Å; G237-Q287 PolarHBondContact O-N 3.38Å; L244-Q287 HydrophobicContact CD1-CB 3.45Å; L244-Q287 VanDerWaalsContact CD1-CB 3.45Å; L244-Q287 HydrophobicContact CD1-CG 4.34Å; L246-Q287 HydrophobicContact CD1-CB 4.29Å; L246-Q287 HydrophobicContact CD1-CG 4Å; I284-Q287 HydrophobicContact CG2-CB 3.97Å; Q287-F289 VanDerWaalsContact C-N 3.26Å; Q287-F289 VanDerWaalsContact CG-O 3.24Å; Q287-F289 WeakPolarHBondContact CG-O 3.27Å; Q287-F289 PolarHBondContact NE2-O 2.88Å; Q287-F289 PolarHBondContact O-N 3.5Å; Q287-A291 HydrophobicContact CG-CB 3.65Å
288A97Very high85.2Confident19 Ų1979.6 Ų79.616%0.15743%0.434CS..EExtended strand (participates in β ladder)trans-80.5-4.9-171.600000114.2G193 H194 G195 I286G193-A288 CarbonylContact C-O 3.09Å; G193-A288 WeakPolarHBondContact CA-O 3.29Å; H194-A288 PolarHBondContact N-O 2.94Å; G195-A288 WeakPolarHBondContact CA-O 3.49Å; G195-A288 PolarHBondContact N-O 3.49Å; I286-A288 HydrophobicContact CG2-CB 4.41Å
289F97.7Very high87.4Confident106 Ų10673.5 Ų73.547%0.46540%0.404SS..EExtended strand (participates in β ladder)trans-120.3149.5170.9-77.5-68.9000110.1G195 A208 Q287 A291G195-F289 VanDerWaalsContact CA-CE1 3.42Å; A208-F289 HydrophobicContact CB-CD1 3.86Å; A208-F289 HydrophobicContact CB-CE1 4.41Å; Q287-F289 VanDerWaalsContact C-N 3.26Å; Q287-F289 VanDerWaalsContact CG-O 3.24Å; Q287-F289 WeakPolarHBondContact CG-O 3.27Å; Q287-F289 PolarHBondContact NE2-O 2.88Å; Q287-F289 PolarHBondContact O-N 3.5Å; F289-A291 PolarHBondContact O-N 3.48Å
290P98.3Very high89.7Confident21 Ų2170.9 Ų70.914%0.13639%0.392CS..EExtended strand (participates in β ladder)trans-50.1121.9170.5-25.734.5000112G193 V206 A208 L209 Y234 W236G193-P290 WeakPolarHBondContact O-CD 3.26Å; V206-P290 HydrophobicContact CG1-CG 3.64Å; A208-P290 HydrophobicContact CB-CG 4.26Å; L209-P290 HydrophobicContact CD1-CB 4.48Å; L209-P290 HydrophobicContact CD1-CG 4.07Å; L209-P290 HydrophobicContact CD2-CB 3.73Å; L209-P290 HydrophobicContact CD2-CG 4.01Å; L209-P290 HydrophobicContact CG-CB 4.15Å; L209-P290 HydrophobicContact CG-CG 3.84Å; Y234-P290 HydrophobicContact CD1-CB 4.42Å; W236-P290 HydrophobicContact CD2-CB 4.3Å; W236-P290 HydrophobicContact CD2-CG 3.93Å; W236-P290 HydrophobicContact CE3-CB 3.6Å; W236-P290 HydrophobicContact CE3-CG 3.65Å; W236-P290 HydrophobicContact CG-CG 4.49Å; W236-P290 HydrophobicContact CZ3-CB 3.99Å; W236-P290 HydrophobicContact CZ3-CG 4Å
291A97.9Very high91.7Very high17 Ų1762.5 Ų62.514%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-109.8136.5174.500000109.5Y234 V235 L246 Q287 F289Y234-A291 CarbonylContact C-O 3.6Å; Y234-A291 VanDerWaalsContact CA-O 3.27Å; Y234-A291 WeakPolarHBondContact CA-O 3.39Å; V235-A291 PolarHBondContact N-O 3.01Å; V235-A291 PolarHBondContact O-N 2.85Å; L246-A291 HydrophobicContact CD1-CB 3.98Å; Q287-A291 HydrophobicContact CG-CB 3.65Å; F289-A291 PolarHBondContact O-N 3.48Å
292L97Very high93.2Very high98 Ų9859.2 Ų59.251%0.51334%0.342SS..EExtended strand (participates in β ladder)trans-69.8129.6171.2-179.564000109.1D232 L233 Y234D232-L292 HydrophobicContact CB-CD1 3.89Å; L233-L292 WeakPolarHBondContact O-CA 3.33Å; Y234-L292 HydrophobicContact CD1-CB 4.33Å; Y234-L292 HydrophobicContact CE1-CB 3.95Å; Y234-L292 HydrophobicContact CE1-CD1 4.09Å; Y234-L292 HydrophobicContact CE2-CD1 4.39Å
293V96.5Very high93.9Very high8 Ų855.2 Ų55.25%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-102.4127.3175.2-178.40000108.9L233 V235 L244 V295 P342L233-V293 HydrophobicContact CB-CB 4.45Å; L233-V293 HydrophobicContact CD2-CB 4.06Å; L233-V293 HydrophobicContact CD2-CG1 4.28Å; L233-V293 HydrophobicContact CG-CB 4.3Å; L233-V293 PolarHBondContact O-N 2.91Å; V235-V293 HydrophobicContact CB-CG2 3.99Å; V235-V293 HydrophobicContact CG1-CG2 3.54Å; V235-V293 HydrophobicContact CG2-CG2 3.23Å; L244-V293 WeakPolarHBondContact O-CG2 3.42Å; V293-V295 HydrophobicContact CG1-CG2 4.42Å; V293-P342 HydrophobicContact CG1-CG 3.73Å
294D91.3Very high94.4Very high117 Ų11752.4 Ų52.463%0.62631%0.306SS*.PPolyproline II helixtrans-84.5122.1170.9-169.113.5000109.6
295V92.3Very high94.8Very high6 Ų651.4 Ų51.44%0.03630%0.303CS..  trans-106.1114.2174.7-179.60000106.7L233 V293 P297 S298 I301 Y321 P342L233-V295 HydrophobicContact CD2-CG2 4.17Å; V293-V295 HydrophobicContact CG1-CG2 4.42Å; V295-P297 CarbonylContact O-C 3.6Å; V295-S298 WeakPolarHBondContact O-CA 3.39Å; V295-S298 PolarHBondContact O-N 2.65Å; V295-I301 HydrophobicContact CG2-CD1 4.31Å; V295-Y321 HydrophobicContact CG1-CD1 3.57Å; V295-Y321 HydrophobicContact CG1-CD2 3.94Å; V295-Y321 HydrophobicContact CG1-CE1 3.6Å; V295-Y321 HydrophobicContact CG1-CE2 3.98Å; V295-Y321 HydrophobicContact CG1-CG 3.74Å; V295-P342 HydrophobicContact CG1-CB 4.26Å; V295-P342 HydrophobicContact CG2-CB 4.11Å; V295-P342 HydrophobicContact CG2-CG 4.1Å
296S87.5Confident95.1Very high80 Ų8049.7 Ų49.756%0.55929%0.291SS*.SBendtrans-94.1137.2-176.3-85.10000112.7Y321S296-Y321 WeakPolarHBondContact O-CE1 3.34Å; S296-Y321 PolarHBondContact O-OH 2.84Å; S296-Y321 VanDerWaalsContact O-OH 3.1Å
297P89.2Confident95.1Very high91 Ų9146.9 Ų46.959%0.59128%0.278SS*.SBendcis-65.1151.6-12.230.5-37.4000111.9V295 C299 Y321V295-P297 CarbonylContact O-C 3.6Å; P297-C299 PolarHBondContact O-N 3Å; P297-Y321 WeakPolarHBondContact CD-OH 3.11Å
298S87.5Confident95Very high114 Ų11445.5 Ų45.580%0.79727%0.273SS*.  trans-44.7123.3-179.1-179.30000111.8V295V295-S298 WeakPolarHBondContact O-CA 3.39Å; V295-S298 PolarHBondContact O-N 2.65Å
299C90.4Very high95Very high36 Ų3648.1 Ų48.124%0.24328%0.278CS..  trans-150.4150.5-174630000111.4P297 T315P297-C299 PolarHBondContact O-N 3Å; C299-T315 HydrophobicContact CB-CG2 3.9Å; C299-T315 WeakPolarHBondContact SG-CG2 3.32Å
300E96.4Very high95Very high109 Ų10943 Ų4351%0.50926%0.256SS..  trans-80.8130.2173.1-60.7177.3178.700110.2T315 T316E300-T315 CarbonylContact O-C 3.54Å; E300-T315 VanDerWaalsContact O-CA 3.22Å; E300-T315 WeakPolarHBondContact O-CA 3.39Å; E300-T316 HydrophobicContact CB-CG2 3.77Å; E300-T316 PolarHBondContact O-N 3.43Å
301I97.8Very high95Very high2 Ų242 Ų421%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-83.2130174.6-56.2-48.9000110.1V227 G231 L233 V295 T303 A313 T315V227-I301 HydrophobicContact CG1-CB 4.08Å; V227-I301 HydrophobicContact CG1-CG2 4.32Å; V227-I301 WeakPolarHBondContact CG1-O 3.29Å; V227-I301 HydrophobicContact CG2-CB 4.29Å; V227-I301 HydrophobicContact CG2-CG2 3.79Å; G231-I301 WeakPolarHBondContact O-CB 3.25Å; G231-I301 PolarHBondContact O-N 3.04Å; L233-I301 HydrophobicContact CB-CG1 4.05Å; V295-I301 HydrophobicContact CG2-CD1 4.31Å; I301-T303 WeakPolarHBondContact CG2-O 3.33Å; I301-A313 HydrophobicContact CD1-CB 4.1Å; I301-A313 HydrophobicContact CG2-CB 4.03Å; I301-T315 HydrophobicContact CD1-CG2 4.15Å
302S96.3Very high95.1Very high34 Ų3441.2 Ų41.224%0.23824%0.243CC..EExtended strand (participates in β ladder)trans-97.6-39.7175.768.10000112.5V314 T315S302-V314 PolarHBondContact N-O 3.03Å; S302-V314 PolarHBondContact OG-O 2.9Å; S302-V314 VanDerWaalsContact OG-O 3.1Å; S302-T315 PolarHBondContact OG-O 2.72Å
303T95.8Very high95.1Very high34 Ų3436.6 Ų36.621%0.20922%0.219CC..EExtended strand (participates in β ladder)trans-141.3144.3-173.4-51.80000109.9I301 A313 V314 V358I301-T303 WeakPolarHBondContact CG2-O 3.33Å; T303-A313 CarbonylContact O-C 3.41Å; T303-A313 WeakPolarHBondContact O-CA 3.47Å; T303-V314 PolarHBondContact N-O 3.47Å; T303-V314 PolarHBondContact O-N 3.26Å; T303-V358 HydrophobicContact CG2-CG1 4.19Å
304V97.7Very high95.2Very high11 Ų1136.2 Ų36.27%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-136.9146176.756.40000110.2A218 V225 V227 L233 T311 A312A218-V304 HydrophobicContact CB-CG1 4.04Å; A218-V304 HydrophobicContact CB-CG2 4.17Å; V225-V304 HydrophobicContact CB-CG2 4.11Å; V225-V304 HydrophobicContact CG1-CG1 4.44Å; V225-V304 HydrophobicContact CG1-CG2 3.63Å; V227-V304 HydrophobicContact CG2-CB 4.17Å; V227-V304 HydrophobicContact CG2-CG1 3.67Å; L233-V304 HydrophobicContact CD1-CG2 4.46Å; V304-T311 HydrophobicContact CG2-CG2 4.21Å; V304-A312 CarbonylContact C-O 3.51Å; V304-A312 WeakPolarHBondContact CA-O 3.44Å
305S98.1Very high95.5Very high19 Ų1930.7 Ų30.713%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-144148.8171.6-162.10000110.6A312 V358 C360S305-A312 PolarHBondContact N-O 3.05Å; S305-A312 PolarHBondContact O-N 3.44Å; S305-V358 WeakPolarHBondContact CB-O 3.37Å; S305-C360 PolarHBondContact OG-N 3.02Å
306C98.1Very high95.6Very high13 Ų1333.6 Ų33.69%0.08821%0.205CC..EExtended strand (participates in β ladder)trans-125.8133-176.4-64.80000109.3A218 A219 H223 V225A218-C306 HydrophobicContact CB-CB 4.35Å; A219-C306 VanDerWaalsContact C-CB 3.46Å; H223-C306 WeakPolarHBondContact NE2-CB 3.35Å; H223-C306 PolarHBondContact NE2-SG 2.82Å; V225-C306 WeakPolarHBondContact CG2-SG 3.35Å
307G96.4Very high96Very high5 Ų533.4 Ų33.45%0.05220%0.2CC..  trans-93.7-159.9165.900000111.6G220 G221 R309 H310 C360 G361G220-G307 CarbonylContact C-O 3.06Å; G220-G307 WeakPolarHBondContact CA-O 3.3Å; G221-G307 PolarHBondContact N-O 3.46Å; G307-R309 PolarHBondContact O-N 3.38Å; G307-H310 PolarHBondContact N-O 3.29Å; G307-C360 VanDerWaalsContact N-CB 3.33Å; G307-G361 WeakPolarHBondContact CA-O 3.26Å
308S95.7Very high96.3Very high16 Ų1629.2 Ų29.211%0.11217%0.174CC..SBendtrans-61.3-46.7179.6-175.80000111.6G221 S362 W363G221-S308 WeakPolarHBondContact CA-O 3.42Å; G221-S308 PolarHBondContact N-O 3.18Å; S308-S362 WeakPolarHBondContact CB-O 3.27Å; S308-S362 PolarHBondContact N-O 3.46Å; S308-W363 VanDerWaalsContact CB-CZ2 3.49Å; S308-W363 WeakPolarHBondContact OG-CH2 3.42Å; S308-W363 WeakPolarHBondContact OG-CZ2 3.33Å
309R96.8Very high96.8Very high73 Ų7327.1 Ų27.128%0.27515%0.149SC..SBendtrans-14122.7-174.4-62-175.4174-167-0.3113.4W222 W238 Q243 G307 W325 W363W222-R309 HydrophobicContact CE3-CG 4.06Å; W222-R309 HydrophobicContact CZ3-CG 3.75Å; W222-R309 VanDerWaalsContact CZ3-NE 3.26Å; W238-R309 HydrophobicContact CZ3-CG 4.16Å; Q243-R309 WeakPolarHBondContact CB-O 3.31Å; G307-R309 PolarHBondContact O-N 3.38Å; R309-W325 HydrophobicContact CB-CB 3.62Å; R309-W325 HydrophobicContact CB-CG 4.4Å; R309-W325 WeakPolarHBondContact O-CB 3.31Å; R309-W325 PolarHBondContact O-N 3.03Å; R309-W363 HydrophobicContact CB-CZ3 4.22Å; R309-W363 HydrophobicContact CG-CH2 4.07Å; R309-W363 HydrophobicContact CG-CZ3 4.14Å
310H98.3Very high97.1Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-141.6158.5177.173.3-75.1000110.5G307 W323 Q330 L331 C360 T365G307-H310 PolarHBondContact N-O 3.29Å; H310-W323 CarbonylContact C-O 3.59Å; H310-W323 VanDerWaalsContact CA-O 3.27Å; H310-W323 WeakPolarHBondContact CA-O 3.39Å; H310-W323 VanDerWaalsContact CB-O 3.3Å; H310-W323 WeakPolarHBondContact CB-O 3.22Å; H310-Q330 HydrophobicContact CB-CG 4.37Å; H310-L331 HydrophobicContact CB-CD2 3.79Å; H310-C360 PolarHBondContact NE2-SG 3.03Å; H310-T365 PolarHBondContact NE2-OG1 3.38Å
311T98.7Very high97.2Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-128.8142.6-179-52.70000108.5H223 V225 Q243 V304 T322 W323H223-T311 PolarHBondContact NE2-OG1 3.23Å; V225-T311 HydrophobicContact CG2-CG2 4.17Å; Q243-T311 PolarHBondContact O-OG1 2.68Å; V304-T311 HydrophobicContact CG2-CG2 4.21Å; T311-T322 WeakPolarHBondContact O-CA 3.41Å; T311-W323 VanDerWaalsContact CB-CE2 3.5Å; T311-W323 HydrophobicContact CG2-CH2 3.69Å; T311-W323 HydrophobicContact CG2-CZ2 3.3Å; T311-W323 HydrophobicContact CG2-CZ3 4.49Å; T311-W323 PolarHBondContact N-O 3.39Å; T311-W323 PolarHBondContact O-N 3.41Å
312A98.6Very high97.3Very high0 Ų020.5 Ų20.50%011%0.114CC..EExtended strand (participates in β ladder)trans-128.7134173.300000109.9V304 S305 L320 Y321 T322 V358 T365V304-A312 CarbonylContact C-O 3.51Å; V304-A312 WeakPolarHBondContact CA-O 3.44Å; S305-A312 PolarHBondContact N-O 3.05Å; S305-A312 PolarHBondContact O-N 3.44Å; A312-L320 HydrophobicContact CB-CD1 4.29Å; A312-Y321 CarbonylContact C-O 3.56Å; A312-Y321 VanDerWaalsContact CA-O 3.24Å; A312-Y321 WeakPolarHBondContact CA-O 3.43Å; A312-T322 HydrophobicContact CB-CG2 3.87Å; A312-V358 HydrophobicContact CB-CG1 4.35Å; A312-V358 HydrophobicContact CB-CG2 3.61Å; A312-T365 HydrophobicContact CB-CG2 4.46Å
313A98.3Very high97.4Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-128.5140.7176.500000110.3I301 T303 Y321 W323I301-A313 HydrophobicContact CD1-CB 4.1Å; I301-A313 HydrophobicContact CG2-CB 4.03Å; T303-A313 CarbonylContact O-C 3.41Å; T303-A313 WeakPolarHBondContact O-CA 3.47Å; A313-Y321 PolarHBondContact N-O 2.98Å; A313-Y321 PolarHBondContact O-N 2.77Å; A313-W323 HydrophobicContact CB-CH2 3.78Å; A313-W323 HydrophobicContact CB-CZ3 3.89Å
314V98.1Very high97.5Very high0 Ų017.2 Ų17.20%09%0.093CC..EExtended strand (participates in β ladder)trans-111.9129.7174.5179.60000107.7S302 T303 Y319 L320 V355 V358S302-V314 PolarHBondContact N-O 3.03Å; S302-V314 PolarHBondContact OG-O 2.9Å; S302-V314 VanDerWaalsContact OG-O 3.1Å; T303-V314 PolarHBondContact N-O 3.47Å; T303-V314 PolarHBondContact O-N 3.26Å; V314-Y319 WeakPolarHBondContact CA-O 3.38Å; V314-L320 HydrophobicContact CG2-CD1 3.84Å; V314-V355 HydrophobicContact CG1-CB 4.25Å; V314-V355 HydrophobicContact CG1-CG1 4.18Å; V314-V355 VanDerWaalsContact CG1-O 3.23Å; V314-V355 WeakPolarHBondContact CG1-O 3.32Å; V314-V355 HydrophobicContact CG2-CB 4.49Å; V314-V355 HydrophobicContact CG2-CG1 3.69Å; V314-V358 HydrophobicContact CG2-CB 3.88Å; V314-V358 HydrophobicContact CG2-CG1 3.62Å
315T97.5Very high97.4Very high1 Ų118.1 Ų18.11%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-79.9161.3177.271.80000111.2C299 E300 I301 S302 T317 G318 Y319 Y321C299-T315 HydrophobicContact CB-CG2 3.9Å; C299-T315 WeakPolarHBondContact SG-CG2 3.32Å; E300-T315 CarbonylContact O-C 3.54Å; E300-T315 VanDerWaalsContact O-CA 3.22Å; E300-T315 WeakPolarHBondContact O-CA 3.39Å; I301-T315 HydrophobicContact CD1-CG2 4.15Å; S302-T315 PolarHBondContact OG-O 2.72Å; T315-T317 PolarHBondContact O-N 2.85Å; T315-T317 VanDerWaalsContact O-N 3.17Å; T315-T317 PolarHBondContact OG1-N 3.28Å; T315-T317 PolarHBondContact OG1-OG1 2.77Å; T315-G318 WeakPolarHBondContact O-CA 3.28Å; T315-G318 PolarHBondContact O-N 3.17Å; T315-G318 PolarHBondContact OG1-N 3.38Å; T315-Y319 PolarHBondContact N-O 2.82Å; T315-Y319 PolarHBondContact OG1-N 3.18Å; T315-Y321 HydrophobicContact CG2-CD2 3.84Å; T315-Y321 HydrophobicContact CG2-CE2 3.62Å
316T95.1Very high97.3Very high68 Ų6817.2 Ų17.242%0.4179%0.089SC..THydrogen-bonded Turntrans-60.1-23.5171.255.10000112.9E300 G318E300-T316 HydrophobicContact CB-CG2 3.77Å; E300-T316 PolarHBondContact O-N 3.43Å; T316-G318 VanDerWaalsContact C-N 3.29Å
317T94.8Very high97.2Very high75 Ų7521.2 Ų21.246%0.4611%0.106SC..THydrogen-bonded Turntrans-86.32.4172.965.20000113.6T315 Y319 H354T315-T317 PolarHBondContact O-N 2.85Å; T315-T317 VanDerWaalsContact O-N 3.17Å; T315-T317 PolarHBondContact OG1-N 3.28Å; T315-T317 PolarHBondContact OG1-OG1 2.77Å; T317-Y319 WeakPolarHBondContact OG1-CD2 3.49Å; T317-Y319 WeakPolarHBondContact OG1-CE2 3.26Å; T317-H354 PolarHBondContact O-CE1 3.13Å; T317-H354 PolarHBondContact O-ND1 3.24Å
318G95.6Very high97.1Very high3 Ų324.1 Ų24.13%0.03112%0.116CC..  trans71.828.5173.800000115.4T315 T316 H354 V355T315-G318 WeakPolarHBondContact O-CA 3.28Å; T315-G318 PolarHBondContact O-N 3.17Å; T315-G318 PolarHBondContact OG1-N 3.38Å; T316-G318 VanDerWaalsContact C-N 3.29Å; G318-H354 WeakPolarHBondContact CA-CE1 3.36Å; G318-H354 WeakPolarHBondContact CA-ND1 3.22Å; G318-H354 PolarHBondContact N-CE1 3.41Å; G318-V355 WeakPolarHBondContact CA-O 3.17Å; G318-V355 PolarHBondContact O-N 3.03Å
319Y97.4Very high97.1Very high70 Ų7023.4 Ų23.428%0.27511%0.111SC..  trans-84.5139.6164.8-64.1-61.3000109.5V314 T315 T317 R349V314-Y319 WeakPolarHBondContact CA-O 3.38Å; T315-Y319 PolarHBondContact N-O 2.82Å; T315-Y319 PolarHBondContact OG1-N 3.18Å; T317-Y319 WeakPolarHBondContact OG1-CD2 3.49Å; T317-Y319 WeakPolarHBondContact OG1-CE2 3.26Å; Y319-R349 HydrophobicContact CE1-CB 4.36Å; Y319-R349 HydrophobicContact CE1-CG 4.18Å; Y319-R349 VanDerWaalsContact CE1-NE 3.25Å
320L98.4Very high97.1Very high2 Ų219.9 Ų19.91%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-100.4126.5175.7174.470.4000109.3F6 A312 V314 T322 C344 V345 F348 V355 V358 T367F6-L320 HydrophobicContact CZ-CD2 4.02Å; A312-L320 HydrophobicContact CB-CD1 4.29Å; V314-L320 HydrophobicContact CG2-CD1 3.84Å; L320-T322 HydrophobicContact CD1-CG2 4.3Å; L320-T322 HydrophobicContact CD2-CG2 4.38Å; L320-T322 HydrophobicContact CG-CG2 4.14Å; L320-C344 CarbonylContact O-C 3.56Å; L320-C344 WeakPolarHBondContact O-CA 3.21Å; L320-V345 HydrophobicContact CB-CB 4.43Å; L320-V345 HydrophobicContact CD2-CB 4.02Å; L320-V345 HydrophobicContact CD2-CG1 4.42Å; L320-V345 HydrophobicContact CD2-CG2 3.81Å; L320-V345 HydrophobicContact CG-CB 4.29Å; L320-V345 HydrophobicContact CG-CG2 3.91Å; L320-V345 PolarHBondContact O-N 2.84Å; L320-F348 HydrophobicContact CB-CD2 4.38Å; L320-F348 HydrophobicContact CD2-CD2 3.89Å; L320-F348 HydrophobicContact CD2-CE2 3.53Å; L320-F348 HydrophobicContact CD2-CZ 4.5Å; L320-V355 HydrophobicContact CB-CB 4.3Å; L320-V355 HydrophobicContact CB-CG1 4.34Å; L320-V355 HydrophobicContact CB-CG2 3.97Å; L320-V358 HydrophobicContact CD1-CB 4.25Å; L320-V358 HydrophobicContact CD1-CG2 4.05Å; L320-T367 HydrophobicContact CD1-CG2 4.27Å; L320-T367 HydrophobicContact CD2-CG2 3.53Å
321Y98.6Very high97.1Very high6 Ų620 Ų202%0.02410%0.098CC..EExtended strand (participates in β ladder)trans-111.8138.1172.1-71.8-102000109.8V295 S296 P297 A312 A313 T315 P342 Q343 C344V295-Y321 HydrophobicContact CG1-CD1 3.57Å; V295-Y321 HydrophobicContact CG1-CD2 3.94Å; V295-Y321 HydrophobicContact CG1-CE1 3.6Å; V295-Y321 HydrophobicContact CG1-CE2 3.98Å; V295-Y321 HydrophobicContact CG1-CG 3.74Å; S296-Y321 WeakPolarHBondContact O-CE1 3.34Å; S296-Y321 PolarHBondContact O-OH 2.84Å; S296-Y321 VanDerWaalsContact O-OH 3.1Å; P297-Y321 WeakPolarHBondContact CD-OH 3.11Å; A312-Y321 CarbonylContact C-O 3.56Å; A312-Y321 VanDerWaalsContact CA-O 3.24Å; A312-Y321 WeakPolarHBondContact CA-O 3.43Å; A313-Y321 PolarHBondContact N-O 2.98Å; A313-Y321 PolarHBondContact O-N 2.77Å; T315-Y321 HydrophobicContact CG2-CD2 3.84Å; T315-Y321 HydrophobicContact CG2-CE2 3.62Å; Y321-P342 HydrophobicContact CD1-CB 4.15Å; Y321-Q343 CarbonylContact C-O 3.53Å; Y321-Q343 VanDerWaalsContact CA-O 3.25Å; Y321-Q343 WeakPolarHBondContact CA-O 2.97Å; Y321-C344 HydrophobicContact CD1-CB 4.26Å; Y321-C344 HydrophobicContact CE1-CB 3.87Å
322T98.7Very high97Very high0 Ų020.1 Ų20.10%010%0.099CC..EExtended strand (participates in β ladder)trans-139.4141.7176.659.70000110.8T311 A312 L320 L331 H333 Q343 V345T311-T322 WeakPolarHBondContact O-CA 3.41Å; A312-T322 HydrophobicContact CB-CG2 3.87Å; L320-T322 HydrophobicContact CD1-CG2 4.3Å; L320-T322 HydrophobicContact CD2-CG2 4.38Å; L320-T322 HydrophobicContact CG-CG2 4.14Å; T322-L331 PolarHBondContact OG1-O 3.44Å; T322-H333 PolarHBondContact O-NE2 2.83Å; T322-H333 PolarHBondContact OG1-CE1 3.42Å; T322-H333 VanDerWaalsContact OG1-CE1 3.32Å; T322-H333 PolarHBondContact OG1-NE2 2.73Å; T322-Q343 PolarHBondContact N-O 2.82Å; T322-Q343 PolarHBondContact O-N 3.01Å; T322-V345 HydrophobicContact CG2-CG2 3.74Å; T322-V345 WeakPolarHBondContact OG1-CG2 3.19Å
323W98.4Very high96.9Very high0 Ų021.3 Ų21.30%011%0.105CC..EExtended strand (participates in β ladder)trans-155.3171.4178.86395.1000111.1L233 G242 Q243 G245 H310 T311 A313 L339 E341 P342L233-W323 HydrophobicContact CD2-CH2 3.6Å; L233-W323 HydrophobicContact CD2-CZ2 3.87Å; G242-W323 VanDerWaalsContact O-CD1 3.27Å; Q243-W323 PolarHBondContact O-NE1 2.86Å; G245-W323 VanDerWaalsContact N-NE1 3.12Å; H310-W323 CarbonylContact C-O 3.59Å; H310-W323 VanDerWaalsContact CA-O 3.27Å; H310-W323 WeakPolarHBondContact CA-O 3.39Å; H310-W323 VanDerWaalsContact CB-O 3.3Å; H310-W323 WeakPolarHBondContact CB-O 3.22Å; T311-W323 VanDerWaalsContact CB-CE2 3.5Å; T311-W323 HydrophobicContact CG2-CH2 3.69Å; T311-W323 HydrophobicContact CG2-CZ2 3.3Å; T311-W323 HydrophobicContact CG2-CZ3 4.49Å; T311-W323 PolarHBondContact N-O 3.39Å; T311-W323 PolarHBondContact O-N 3.41Å; A313-W323 HydrophobicContact CB-CH2 3.78Å; A313-W323 HydrophobicContact CB-CZ3 3.89Å; W323-L339 HydrophobicContact CB-CB 4.33Å; W323-E341 VanDerWaalsContact CB-O 3.29Å; W323-E341 WeakPolarHBondContact CB-O 3.44Å; W323-P342 HydrophobicContact CD2-CB 4.06Å; W323-P342 HydrophobicContact CD2-CG 3.95Å; W323-P342 HydrophobicContact CE3-CB 3.59Å; W323-P342 HydrophobicContact CE3-CG 3.94Å; W323-P342 HydrophobicContact CG-CG 4.48Å; W323-P342 HydrophobicContact CH2-CG 4.42Å; W323-P342 HydrophobicContact CZ2-CG 4.43Å; W323-P342 HydrophobicContact CZ3-CB 3.87Å; W323-P342 HydrophobicContact CZ3-CG 4.19Å
324G98Very high96.8Very high0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans103.3-149.1-174.400000113S241 G326 S338 L339S241-G324 CarbonylContact O-C 3.07Å; S241-G324 WeakPolarHBondContact O-CA 3.13Å; G324-G326 PolarHBondContact O-N 2.83Å; G324-S338 CarbonylContact O-C 3.52Å; G324-S338 WeakPolarHBondContact O-CA 3.22Å; G324-S338 VanDerWaalsContact O-CB 3.3Å; G324-S338 WeakPolarHBondContact O-CB 3.43Å; G324-L339 WeakPolarHBondContact CA-O 3.49Å; G324-L339 PolarHBondContact N-O 3.1Å; G324-L339 PolarHBondContact O-N 3.33Å
325W96.6Very high96.6Very high29 Ų2930.7 Ų30.711%0.1115%0.153CC..  trans-70.9125.9-177.9-166.884.2000111.6S241 R309 E327 Y328 Q330 S338 W363S241-W325 PolarHBondContact O-N 2.99Å; R309-W325 HydrophobicContact CB-CB 3.62Å; R309-W325 HydrophobicContact CB-CG 4.4Å; R309-W325 WeakPolarHBondContact O-CB 3.31Å; R309-W325 PolarHBondContact O-N 3.03Å; W325-E327 HydrophobicContact CD2-CB 4.41Å; W325-E327 HydrophobicContact CD2-CG 4.2Å; W325-E327 VanDerWaalsContact CE2-CD 3.49Å; W325-E327 VanDerWaalsContact CE2-CG 3.48Å; W325-E327 HydrophobicContact CE3-CB 4.49Å; W325-E327 HydrophobicContact CH2-CB 3.49Å; W325-E327 VanDerWaalsContact CH2-CB 3.49Å; W325-E327 HydrophobicContact CH2-CG 4.16Å; W325-E327 HydrophobicContact CZ2-CB 3.36Å; W325-E327 VanDerWaalsContact CZ2-CD 3.4Å; W325-E327 HydrophobicContact CZ2-CG 3.52Å; W325-E327 WeakPolarHBondContact CZ2-OE2 3.25Å; W325-E327 HydrophobicContact CZ3-CB 4.04Å; W325-E327 VanDerWaalsContact NE1-CD 3.27Å; W325-E327 PolarHBondContact NE1-OE1 3.44Å; W325-Y328 HydrophobicContact CE3-CD2 4.49Å; W325-Y328 HydrophobicContact CH2-CD1 4.36Å; W325-Y328 AromaticContact CH2-CD2 3.17Å; W325-Y328 HydrophobicContact CH2-CD2 3.17Å; W325-Y328 AromaticContact CH2-CE2 3.34Å; W325-Y328 HydrophobicContact CH2-CE2 3.34Å; W325-Y328 AromaticContact CH2-CG 3.72Å; W325-Y328 HydrophobicContact CH2-CG 3.72Å; W325-Y328 HydrophobicContact CZ2-CE2 4.42Å; W325-Y328 AromaticContact CZ3-CD2 3.18Å; W325-Y328 HydrophobicContact CZ3-CD2 3.18Å; W325-Y328 AromaticContact CZ3-CE2 3.8Å; W325-Y328 HydrophobicContact CZ3-CE2 3.8Å; W325-Y328 AromaticContact CZ3-CG 3.72Å; W325-Y328 HydrophobicContact CZ3-CG 3.72Å; W325-Q330 WeakPolarHBondContact O-CG 3.42Å; W325-Q330 PolarHBondContact O-NE2 2.97Å; W325-S338 WeakPolarHBondContact CA-OG 3.02Å; W325-W363 HydrophobicContact CD2-CE3 4.33Å; W325-W363 HydrophobicContact CD2-CZ3 4Å; W325-W363 AromaticContact CE3-CE3 3.59Å; W325-W363 HydrophobicContact CE3-CE3 3.59Å; W325-W363 AromaticContact CE3-CZ3 3.73Å; W325-W363 HydrophobicContact CE3-CZ3 3.73Å; W325-W363 HydrophobicContact CH2-CE3 4.23Å; W325-W363 HydrophobicContact CH2-CZ3 4.42Å; W325-W363 AromaticContact CZ3-CE3 3.57Å; W325-W363 HydrophobicContact CZ3-CE3 3.57Å; W325-W363 AromaticContact CZ3-CZ3 3.99Å; W325-W363 HydrophobicContact CZ3-CZ3 3.99Å
326G95.9Very high96.4Very high0 Ų033.7 Ų33.70%017%0.172CC..  trans-119.75.8-171.500000116.5G324 Y328 G329 Q330 T336 S338G324-G326 PolarHBondContact O-N 2.83Å; G326-Y328 PolarHBondContact O-N 3.12Å; G326-G329 PolarHBondContact O-N 3.45Å; G326-Q330 VanDerWaalsContact C-OE1 3.3Å; G326-Q330 PolarHBondContact O-OE1 2.93Å; G326-T336 CarbonylContact C-O 3.35Å; G326-T336 CarbonylContact O-C 3.33Å; G326-T336 WeakPolarHBondContact O-CA 3.36Å; G326-S338 PolarHBondContact N-OG 3.46Å
327E94.4Very high96.4Very high98 Ų9832.9 Ų32.946%0.45817%0.169SC..THydrogen-bonded Turntrans-69.9-12-165.5-46.2174.1-167.600115.4K33 W325 T336K33-E327 WeakPolarHBondContact CD-O 3.24Å; K33-E327 VanDerWaalsContact CE-O 3.32Å; K33-E327 WeakPolarHBondContact CE-O 3.35Å; K33-E327 PolarHBondContact NZ-O 2.91Å; W325-E327 HydrophobicContact CD2-CB 4.41Å; W325-E327 HydrophobicContact CD2-CG 4.2Å; W325-E327 VanDerWaalsContact CE2-CD 3.49Å; W325-E327 VanDerWaalsContact CE2-CG 3.48Å; W325-E327 HydrophobicContact CE3-CB 4.49Å; W325-E327 HydrophobicContact CH2-CB 3.49Å; W325-E327 VanDerWaalsContact CH2-CB 3.49Å; W325-E327 HydrophobicContact CH2-CG 4.16Å; W325-E327 HydrophobicContact CZ2-CB 3.36Å; W325-E327 VanDerWaalsContact CZ2-CD 3.4Å; W325-E327 HydrophobicContact CZ2-CG 3.52Å; W325-E327 WeakPolarHBondContact CZ2-OE2 3.25Å; W325-E327 HydrophobicContact CZ3-CB 4.04Å; W325-E327 VanDerWaalsContact NE1-CD 3.27Å; W325-E327 PolarHBondContact NE1-OE1 3.44Å; E327-T336 WeakPolarHBondContact CA-O 3.45Å
328Y94.8Very high96.4Very high66 Ų6630.5 Ų30.526%0.25916%0.155SC..THydrogen-bonded Turntrans-98.91.6170.7-67.5-51.8000113.2G7 F8 K33 W325 G326 W363G7-Y328 CarbonylContact C-O 3.59Å; G7-Y328 VanDerWaalsContact CA-O 3.24Å; G7-Y328 WeakPolarHBondContact CA-O 3.27Å; F8-Y328 HydrophobicContact CB-CD2 4.21Å; F8-Y328 HydrophobicContact CB-CG 4.02Å; F8-Y328 AromaticContact CD2-CD1 3.54Å; F8-Y328 HydrophobicContact CD2-CD1 3.54Å; F8-Y328 HydrophobicContact CD2-CD2 4.1Å; F8-Y328 AromaticContact CD2-CE1 3.67Å; F8-Y328 HydrophobicContact CD2-CE1 3.67Å; F8-Y328 HydrophobicContact CD2-CE2 4.24Å; F8-Y328 AromaticContact CD2-CG 3.8Å; F8-Y328 HydrophobicContact CD2-CG 3.8Å; F8-Y328 HydrophobicContact CE2-CD1 4.23Å; F8-Y328 AromaticContact CE2-CE1 3.92Å; F8-Y328 HydrophobicContact CE2-CE1 3.92Å; F8-Y328 HydrophobicContact CG-CD2 4.46Å; F8-Y328 HydrophobicContact CG-CG 4.35Å; K33-Y328 HydrophobicContact CD-CD1 4.37Å; K33-Y328 HydrophobicContact CG-CD1 4.14Å; W325-Y328 HydrophobicContact CE3-CD2 4.49Å; W325-Y328 HydrophobicContact CH2-CD1 4.36Å; W325-Y328 AromaticContact CH2-CD2 3.17Å; W325-Y328 HydrophobicContact CH2-CD2 3.17Å; W325-Y328 AromaticContact CH2-CE2 3.34Å; W325-Y328 HydrophobicContact CH2-CE2 3.34Å; W325-Y328 AromaticContact CH2-CG 3.72Å; W325-Y328 HydrophobicContact CH2-CG 3.72Å; W325-Y328 HydrophobicContact CZ2-CE2 4.42Å; W325-Y328 AromaticContact CZ3-CD2 3.18Å; W325-Y328 HydrophobicContact CZ3-CD2 3.18Å; W325-Y328 AromaticContact CZ3-CE2 3.8Å; W325-Y328 HydrophobicContact CZ3-CE2 3.8Å; W325-Y328 AromaticContact CZ3-CG 3.72Å; W325-Y328 HydrophobicContact CZ3-CG 3.72Å; G326-Y328 PolarHBondContact O-N 3.12Å; Y328-W363 HydrophobicContact CD2-CB 3.76Å; Y328-W363 HydrophobicContact CD2-CD2 4.27Å; Y328-W363 HydrophobicContact CD2-CE3 4.26Å; Y328-W363 HydrophobicContact CD2-CG 4.05Å; Y328-W363 HydrophobicContact CE2-CB 4.46Å; Y328-W363 HydrophobicContact CE2-CD2 4.36Å; Y328-W363 HydrophobicContact CE2-CE3 4.47Å; Y328-W363 HydrophobicContact CE2-CG 4.33Å
329G95.6Very high96.4Very high0 Ų032 Ų320%016%0.163CC..SBendtrans86.18.6-179.900000114.4G326 L331 G332G326-G329 PolarHBondContact O-N 3.45Å; G329-L331 PolarHBondContact O-N 3.27Å; G329-G332 PolarHBondContact O-N 3.3Å
330Q96.7Very high96.3Very high0 Ų030 Ų300%016%0.156CC..THydrogen-bonded Turntrans-67-6.2-174.862.8-101.47200115F6 H310 W325 G326 W363 T365F6-Q330 VanDerWaalsContact CD2-O 3.32Å; F6-Q330 WeakPolarHBondContact CD2-O 3.45Å; F6-Q330 WeakPolarHBondContact CE2-O 3.17Å; H310-Q330 HydrophobicContact CB-CG 4.37Å; W325-Q330 WeakPolarHBondContact O-CG 3.42Å; W325-Q330 PolarHBondContact O-NE2 2.97Å; G326-Q330 VanDerWaalsContact C-OE1 3.3Å; G326-Q330 PolarHBondContact O-OE1 2.93Å; Q330-W363 WeakPolarHBondContact CB-O 3.28Å; Q330-T365 WeakPolarHBondContact O-CB 3.48Å; Q330-T365 PolarHBondContact O-OG1 3.45Å
331L98.2Very high96.1Very high3 Ų335.8 Ų35.82%0.01618%0.183CC..THydrogen-bonded Turntrans-86.2-23.9173.4-51.8-173.5000111.6F6 H310 T322 G329 H333 S337 L339 V345F6-L331 VanDerWaalsContact CE2-C 3.45Å; F6-L331 WeakPolarHBondContact CE2-O 3.41Å; H310-L331 HydrophobicContact CB-CD2 3.79Å; T322-L331 PolarHBondContact OG1-O 3.44Å; G329-L331 PolarHBondContact O-N 3.27Å; L331-H333 VanDerWaalsContact C-N 3.35Å; L331-H333 VanDerWaalsContact CB-CD2 3.42Å; L331-H333 WeakPolarHBondContact CB-CD2 3.22Å; L331-S337 WeakPolarHBondContact CD1-O 3.4Å; L331-L339 HydrophobicContact CD1-CB 4.28Å; L331-L339 HydrophobicContact CD1-CD1 4.05Å; L331-L339 HydrophobicContact CD1-CG 4.03Å; L331-V345 WeakPolarHBondContact O-CG2 3.49Å
332G97.1Very high96Very high2 Ų236.5 Ų36.52%0.02119%0.189CC..  trans80.512.2174.700000114.9F6 C35 G329 Q334F6-G332 VanDerWaalsContact CD2-N 3.32Å; C35-G332 CarbonylContact O-C 2.98Å; C35-G332 VanDerWaalsContact O-CA 3.31Å; C35-G332 WeakPolarHBondContact O-CA 3.1Å; G329-G332 PolarHBondContact O-N 3.3Å; G332-Q334 VanDerWaalsContact C-N 3.26Å; G332-Q334 PolarHBondContact O-N 2.91Å
333H97Very high96Very high25 Ų2540.8 Ų40.812%0.11621%0.209CC..SBendtrans-8721.1-175.3-61.4-50.3000114.4T322 L331 T335 L339 Q343T322-H333 PolarHBondContact O-NE2 2.83Å; T322-H333 PolarHBondContact OG1-CE1 3.42Å; T322-H333 VanDerWaalsContact OG1-CE1 3.32Å; T322-H333 PolarHBondContact OG1-NE2 2.73Å; L331-H333 VanDerWaalsContact C-N 3.35Å; L331-H333 VanDerWaalsContact CB-CD2 3.42Å; L331-H333 WeakPolarHBondContact CB-CD2 3.22Å; H333-T335 PolarHBondContact O-N 2.8Å; H333-L339 WeakPolarHBondContact CD2-CD1 3.35Å; H333-L339 WeakPolarHBondContact NE2-CD1 3.3Å; H333-Q343 PolarHBondContact CE1-O 2.79Å; H333-Q343 VanDerWaalsContact CE1-O 3.29Å
334Q95Very high95.9Very high129 Ų12941.3 Ų41.360%0.60321%0.212SC*.SBendtrans60.913.6-176.4-40.11793200114C35 V36 G332C35-Q334 WeakPolarHBondContact O-CA 3.14Å; C35-Q334 PolarHBondContact O-N 3.36Å; V36-Q334 HydrophobicContact CG2-CB 4.15Å; V36-Q334 HydrophobicContact CG2-CG 3.97Å; G332-Q334 VanDerWaalsContact C-N 3.26Å; G332-Q334 PolarHBondContact O-N 2.91Å
335T94.4Very high95.9Very high68 Ų6841.3 Ų41.342%0.41721%0.212SC..SBendtrans-137.7169.8176.474.80000109.7H333 S337H333-T335 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact OG1-N 2.91Å
336T94.4Very high96Very high64 Ų6443.3 Ų43.339%0.39322%0.223SC..  trans-10318.1171.661.30000111.9K33 C35 G326 E327K33-T336 HydrophobicContact CD-CG2 4.28Å; C35-T336 VanDerWaalsContact SG-CG2 3.5Å; G326-T336 CarbonylContact C-O 3.35Å; G326-T336 CarbonylContact O-C 3.33Å; G326-T336 WeakPolarHBondContact O-CA 3.36Å; E327-T336 WeakPolarHBondContact CA-O 3.45Å
337S94.3Very high96Very high50 Ų5045.2 Ų45.235%0.3523%0.231SC..  trans-78137.8-178.3-58.70000109.9L331 T335L331-S337 WeakPolarHBondContact CD1-O 3.4Å; T335-S337 PolarHBondContact OG1-N 2.91Å
338S95.6Very high96.2Very high25 Ų2540.7 Ų40.718%0.17521%0.21CC..  trans-77.8152.2169.4-59.10000110.3G324 W325 G326G324-S338 CarbonylContact O-C 3.52Å; G324-S338 WeakPolarHBondContact O-CA 3.22Å; G324-S338 VanDerWaalsContact O-CB 3.3Å; G324-S338 WeakPolarHBondContact O-CB 3.43Å; W325-S338 WeakPolarHBondContact CA-OG 3.02Å; G326-S338 PolarHBondContact N-OG 3.46Å
339L95.4Very high96.1Very high36 Ų3642.1 Ų42.119%0.18822%0.215CC..EExtended strand (participates in β ladder)trans-132.1141.1-177.5-61.5173.7000109.8W323 G324 L331 H333 Q343W323-L339 HydrophobicContact CB-CB 4.33Å; G324-L339 WeakPolarHBondContact CA-O 3.49Å; G324-L339 PolarHBondContact N-O 3.1Å; G324-L339 PolarHBondContact O-N 3.33Å; L331-L339 HydrophobicContact CD1-CB 4.28Å; L331-L339 HydrophobicContact CD1-CD1 4.05Å; L331-L339 HydrophobicContact CD1-CG 4.03Å; H333-L339 WeakPolarHBondContact CD2-CD1 3.35Å; H333-L339 WeakPolarHBondContact NE2-CD1 3.3Å; L339-Q343 HydrophobicContact CD1-CB 3.68Å; L339-Q343 HydrophobicContact CD1-CG 4.38Å
340D94.6Very high96.2Very high27 Ų2747.6 Ų47.614%0.14424%0.244CC..EExtended strand (participates in β ladder)trans-108.68.9172.954.6-7.2000113.6G245 L246 S248 L251G245-D340 CarbonylContact C-O 3.19Å; G245-D340 WeakPolarHBondContact CA-O 3.45Å; L246-D340 PolarHBondContact N-O 3.25Å; L246-D340 VanDerWaalsContact N-O 3.12Å; S248-D340 PolarHBondContact N-OD2 2.96Å; S248-D340 VanDerWaalsContact OG-CB 3.31Å; S248-D340 WeakPolarHBondContact OG-CB 3.09Å; S248-D340 PolarHBondContact OG-OD2 3.01Å; L251-D340 HydrophobicContact CD1-CB 3.71Å; L251-D340 VanDerWaalsContact CD1-N 3.3Å
341E94.2Very high96.1Very high124 Ų12452.8 Ų52.858%0.57927%0.268SS*.EExtended strand (participates in β ladder)trans-127.8142.8172.6-67.2-177.9177.200109.9W323 Q343W323-E341 VanDerWaalsContact CB-O 3.29Å; W323-E341 WeakPolarHBondContact CB-O 3.44Å; E341-Q343 PolarHBondContact O-N 3.05Å; E341-Q343 VanDerWaalsContact O-N 3.16Å
342P97.4Very high95.9Very high21 Ų2156.3 Ų56.314%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-57.1117.3173.8-24.434.8000111.9V293 V295 Y321 W323V293-P342 HydrophobicContact CG1-CG 3.73Å; V295-P342 HydrophobicContact CG1-CB 4.26Å; V295-P342 HydrophobicContact CG2-CB 4.11Å; V295-P342 HydrophobicContact CG2-CG 4.1Å; Y321-P342 HydrophobicContact CD1-CB 4.15Å; W323-P342 HydrophobicContact CD2-CB 4.06Å; W323-P342 HydrophobicContact CD2-CG 3.95Å; W323-P342 HydrophobicContact CE3-CB 3.59Å; W323-P342 HydrophobicContact CE3-CG 3.94Å; W323-P342 HydrophobicContact CG-CG 4.48Å; W323-P342 HydrophobicContact CH2-CG 4.42Å; W323-P342 HydrophobicContact CZ2-CG 4.43Å; W323-P342 HydrophobicContact CZ3-CB 3.87Å; W323-P342 HydrophobicContact CZ3-CG 4.19Å
343Q97.4Very high95.8Very high90 Ų9056.7 Ų56.742%0.42129%0.289SS..EExtended strand (participates in β ladder)trans-116.9136.5177.5-174.5173.5-19.600111.6Y321 T322 H333 L339 E341Y321-Q343 CarbonylContact C-O 3.53Å; Y321-Q343 VanDerWaalsContact CA-O 3.25Å; Y321-Q343 WeakPolarHBondContact CA-O 2.97Å; T322-Q343 PolarHBondContact N-O 2.82Å; T322-Q343 PolarHBondContact O-N 3.01Å; H333-Q343 PolarHBondContact CE1-O 2.79Å; H333-Q343 VanDerWaalsContact CE1-O 3.29Å; L339-Q343 HydrophobicContact CD1-CB 3.68Å; L339-Q343 HydrophobicContact CD1-CG 4.38Å; E341-Q343 PolarHBondContact O-N 3.05Å; E341-Q343 VanDerWaalsContact O-N 3.16Å
344C97.6Very high95.7Very high10 Ų1058 Ų587%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-66.5131.2175.9177.70000111.2L320 Y321 E346L320-C344 CarbonylContact O-C 3.56Å; L320-C344 WeakPolarHBondContact O-CA 3.21Å; Y321-C344 HydrophobicContact CD1-CB 4.26Å; Y321-C344 HydrophobicContact CE1-CB 3.87Å; C344-E346 WeakPolarHBondContact CB-OE1 3.19Å; C344-E346 PolarHBondContact O-N 2.9Å; C344-E346 VanDerWaalsContact O-N 3.12Å; C344-E346 PolarHBondContact SG-OE1 3.27Å
345V98.1Very high95.8Very high1 Ų152 Ų521%0.00627%0.267CS..  trans-81.289.1174.3-175.60000109P37 L320 T322 L331 F347 F348P37-V345 HydrophobicContact CG-CG1 4.06Å; L320-V345 HydrophobicContact CB-CB 4.43Å; L320-V345 HydrophobicContact CD2-CB 4.02Å; L320-V345 HydrophobicContact CD2-CG1 4.42Å; L320-V345 HydrophobicContact CD2-CG2 3.81Å; L320-V345 HydrophobicContact CG-CB 4.29Å; L320-V345 HydrophobicContact CG-CG2 3.91Å; L320-V345 PolarHBondContact O-N 2.84Å; T322-V345 HydrophobicContact CG2-CG2 3.74Å; T322-V345 WeakPolarHBondContact OG1-CG2 3.19Å; L331-V345 WeakPolarHBondContact O-CG2 3.49Å; V345-F347 HydrophobicContact CG1-CB 4.39Å; V345-F347 PolarHBondContact O-N 2.89Å; V345-F348 HydrophobicContact CB-CD2 4.24Å; V345-F348 HydrophobicContact CG1-CD2 3.94Å; V345-F348 HydrophobicContact CG1-CE2 3.95Å; V345-F348 PolarHBondContact O-N 2.9Å
346E97.4Very high95.8Very high70 Ų7051.2 Ų51.233%0.32726%0.262SS..Hα-helixtrans-58.7-21.3-170.4-67.4-57.8142.800114.8C344 F348 R349 N350C344-E346 WeakPolarHBondContact CB-OE1 3.19Å; C344-E346 PolarHBondContact O-N 2.9Å; C344-E346 VanDerWaalsContact O-N 3.12Å; C344-E346 PolarHBondContact SG-OE1 3.27Å; E346-F348 VanDerWaalsContact C-N 3.31Å; E346-F348 PolarHBondContact O-N 2.92Å; E346-R349 PolarHBondContact O-N 2.86Å; E346-R349 IonicContact OE1-NH1 2.86Å; E346-R349 PolarHBondContact OE1-NH1 3.46Å; E346-R349 VanDerWaalsContact OE1-NH1 3.12Å; E346-R349 WeakPolarHBondContact OE2-CD 3.43Å; E346-R349 IonicContact OE2-NH1 3.11Å; E346-R349 PolarHBondContact OE2-NH1 3.36Å; E346-N350 WeakPolarHBondContact O-CB 3.3Å; E346-N350 PolarHBondContact O-N 2.82Å; E346-N350 PolarHBondContact O-ND2 2.86Å
347F97.4Very high95.8Very high40 Ų4050.1 Ų50.118%0.17525%0.253CS..Hα-helixtrans-50.4-48.8175.6175-90000112.4F4 V36 P37 V345 N350 E351F4-F347 AromaticContact CD1-CE1 3.88Å; F4-F347 HydrophobicContact CD1-CE1 3.88Å; F4-F347 HydrophobicContact CD1-CZ 4.36Å; F4-F347 AromaticContact CE1-CE1 3.79Å; F4-F347 HydrophobicContact CE1-CE1 3.79Å; F4-F347 HydrophobicContact CE1-CZ 4.13Å; V36-F347 HydrophobicContact CG1-CD2 3.86Å; V36-F347 HydrophobicContact CG1-CE2 4.21Å; P37-F347 HydrophobicContact CB-CD1 3.57Å; P37-F347 HydrophobicContact CB-CE1 3.77Å; P37-F347 HydrophobicContact CB-CG 4.05Å; P37-F347 HydrophobicContact CB-CZ 4.39Å; P37-F347 HydrophobicContact CG-CB 3.88Å; P37-F347 HydrophobicContact CG-CD1 3.68Å; P37-F347 HydrophobicContact CG-CE1 4.39Å; P37-F347 HydrophobicContact CG-CG 3.79Å; P37-F347 WeakPolarHBondContact O-CZ 3.45Å; V345-F347 HydrophobicContact CG1-CB 4.39Å; V345-F347 PolarHBondContact O-N 2.89Å; F347-N350 PolarHBondContact O-N 2.95Å; F347-E351 HydrophobicContact CD1-CG 4.45Å; F347-E351 HydrophobicContact CD2-CG 4.37Å; F347-E351 HydrophobicContact CE1-CG 4.11Å; F347-E351 HydrophobicContact CE2-CG 4.03Å; F347-E351 HydrophobicContact CZ-CG 3.9Å; F347-E351 WeakPolarHBondContact O-CB 3.35Å; F347-E351 VanDerWaalsContact O-CG 3.29Å; F347-E351 WeakPolarHBondContact O-CG 3.45Å; F347-E351 PolarHBondContact O-N 2.85Å
348F96.9Very high95.9Very high4 Ų447.9 Ų47.92%0.01824%0.238CC..Hα-helixtrans-69.9-37.3-176.5-64.5-74.6000112.3F4 F6 P37 L320 V345 E346 E351 N352 L353 V355 T367 A369F4-F348 HydrophobicContact CB-CE1 4.03Å; F4-F348 HydrophobicContact CB-CZ 3.96Å; F4-F348 HydrophobicContact CD1-CE1 4.2Å; F4-F348 AromaticContact CD2-CE1 3.65Å; F4-F348 HydrophobicContact CD2-CE1 3.65Å; F4-F348 HydrophobicContact CD2-CZ 4.42Å; F4-F348 HydrophobicContact CE2-CE1 4.14Å; F4-F348 AromaticContact CG-CE1 3.69Å; F4-F348 HydrophobicContact CG-CE1 3.69Å; F4-F348 HydrophobicContact CG-CZ 4.14Å; F6-F348 HydrophobicContact CE1-CE2 4.34Å; F6-F348 HydrophobicContact CE1-CZ 4.4Å; P37-F348 HydrophobicContact CB-CE1 4.39Å; P37-F348 HydrophobicContact CB-CE2 4.07Å; P37-F348 HydrophobicContact CB-CZ 3.64Å; P37-F348 HydrophobicContact CG-CE2 3.72Å; P37-F348 HydrophobicContact CG-CZ 3.85Å; L320-F348 HydrophobicContact CB-CD2 4.38Å; L320-F348 HydrophobicContact CD2-CD2 3.89Å; L320-F348 HydrophobicContact CD2-CE2 3.53Å; L320-F348 HydrophobicContact CD2-CZ 4.5Å; V345-F348 HydrophobicContact CB-CD2 4.24Å; V345-F348 HydrophobicContact CG1-CD2 3.94Å; V345-F348 HydrophobicContact CG1-CE2 3.95Å; V345-F348 PolarHBondContact O-N 2.9Å; E346-F348 VanDerWaalsContact C-N 3.31Å; E346-F348 PolarHBondContact O-N 2.92Å; F348-E351 PolarHBondContact O-N 3.22Å; F348-N352 PolarHBondContact O-N 3.2Å; F348-L353 HydrophobicContact CB-CB 4.29Å; F348-L353 HydrophobicContact CD1-CB 4.15Å; F348-L353 HydrophobicContact CD1-CD1 4Å; F348-L353 PolarHBondContact O-N 3.44Å; F348-V355 HydrophobicContact CB-CG2 3.85Å; F348-V355 HydrophobicContact CD1-CG2 3.79Å; F348-V355 HydrophobicContact CD2-CG2 3.87Å; F348-V355 HydrophobicContact CE1-CG2 4.35Å; F348-V355 HydrophobicContact CE2-CG2 4.42Å; F348-V355 HydrophobicContact CG-CG2 3.53Å; F348-T367 HydrophobicContact CZ-CG2 4.49Å; F348-T367 WeakPolarHBondContact CZ-OG1 3.27Å; F348-A369 HydrophobicContact CD1-CB 4.15Å; F348-A369 HydrophobicContact CE1-CB 4.32Å
349R94.1Very high95.9Very high96 Ų9647.7 Ų47.736%0.36224%0.235SC..Hα-helixtrans-63.1-47.3175.3179.4-178.6-83.1158.9-10.6110.7Y319 E346 E351 N352Y319-R349 HydrophobicContact CE1-CB 4.36Å; Y319-R349 HydrophobicContact CE1-CG 4.18Å; Y319-R349 VanDerWaalsContact CE1-NE 3.25Å; E346-R349 PolarHBondContact O-N 2.86Å; E346-R349 IonicContact OE1-NH1 2.86Å; E346-R349 PolarHBondContact OE1-NH1 3.46Å; E346-R349 VanDerWaalsContact OE1-NH1 3.12Å; E346-R349 WeakPolarHBondContact OE2-CD 3.43Å; E346-R349 IonicContact OE2-NH1 3.11Å; E346-R349 PolarHBondContact OE2-NH1 3.36Å; R349-E351 VanDerWaalsContact C-N 3.33Å; R349-E351 PolarHBondContact O-N 2.93Å; R349-N352 PolarHBondContact O-N 3.09Å; R349-N352 VanDerWaalsContact O-N 3.1Å
350N96.2Very high96Very high114 Ų11446.6 Ų46.661%0.6123%0.231SC*.Hα-helixtrans-65.8-35.2-179-67-15.4000112.4E346 F347 N352E346-N350 WeakPolarHBondContact O-CB 3.3Å; E346-N350 PolarHBondContact O-N 2.82Å; E346-N350 PolarHBondContact O-ND2 2.86Å; F347-N350 PolarHBondContact O-N 2.95Å; N350-N352 PolarHBondContact O-N 2.55Å
351E94.9Very high95.9Very high110 Ų11045.6 Ų45.651%0.51423%0.227SC..THydrogen-bonded Turntrans-81.95.3175.5-67.2-63133.800113.7F347 F348 R349 L353F347-E351 HydrophobicContact CD1-CG 4.45Å; F347-E351 HydrophobicContact CD2-CG 4.37Å; F347-E351 HydrophobicContact CE1-CG 4.11Å; F347-E351 HydrophobicContact CE2-CG 4.03Å; F347-E351 HydrophobicContact CZ-CG 3.9Å; F347-E351 WeakPolarHBondContact O-CB 3.35Å; F347-E351 VanDerWaalsContact O-CG 3.29Å; F347-E351 WeakPolarHBondContact O-CG 3.45Å; F347-E351 PolarHBondContact O-N 2.85Å; F348-E351 PolarHBondContact O-N 3.22Å; R349-E351 VanDerWaalsContact C-N 3.33Å; R349-E351 PolarHBondContact O-N 2.93Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 HydrophobicContact CB-CD1 3.8Å; E351-L353 HydrophobicContact CB-CG 3.94Å; E351-L353 PolarHBondContact O-N 3.44Å
352N94.2Very high95.8Very high76 Ų7641.6 Ų41.641%0.40621%0.213SC..THydrogen-bonded Turntrans54.443.1-177.9-163.632.3000113F348 R349 N350 K372F348-N352 PolarHBondContact O-N 3.2Å; R349-N352 PolarHBondContact O-N 3.09Å; R349-N352 VanDerWaalsContact O-N 3.1Å; N350-N352 PolarHBondContact O-N 2.55Å; N352-K372 WeakPolarHBondContact O-CB 3.29Å; N352-K372 PolarHBondContact O-N 3.5Å; N352-K372 VanDerWaalsContact OD1-CB 3.24Å; N352-K372 WeakPolarHBondContact OD1-CB 3.4Å; N352-K372 WeakPolarHBondContact OD1-CD 3.4Å
353L94.9Very high95.7Very high10 Ų1042.4 Ų42.45%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-108.6133.7179.9-65.4173.4000110.4F4 F348 E351 A369 V370 K371F4-L353 HydrophobicContact CE1-CD1 4.18Å; F4-L353 HydrophobicContact CE2-CD1 3.85Å; F4-L353 HydrophobicContact CZ-CD1 3.43Å; F4-L353 VanDerWaalsContact CZ-CD1 3.43Å; F348-L353 HydrophobicContact CB-CB 4.29Å; F348-L353 HydrophobicContact CD1-CB 4.15Å; F348-L353 HydrophobicContact CD1-CD1 4Å; F348-L353 PolarHBondContact O-N 3.44Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 HydrophobicContact CB-CD1 3.8Å; E351-L353 HydrophobicContact CB-CG 3.94Å; E351-L353 PolarHBondContact O-N 3.44Å; L353-A369 HydrophobicContact CB-CB 4.04Å; L353-V370 CarbonylContact C-O 3.51Å; L353-V370 WeakPolarHBondContact CA-O 3.48Å; L353-K371 HydrophobicContact CD2-CG 3.99Å
354H95.7Very high95.5Very high54 Ų5438.1 Ų38.125%0.2519%0.193CC..EExtended strand (participates in β ladder)trans-97.9115.5172-176.193.8000108.5T317 G318 A369 V370T317-H354 PolarHBondContact O-CE1 3.13Å; T317-H354 PolarHBondContact O-ND1 3.24Å; G318-H354 WeakPolarHBondContact CA-CE1 3.36Å; G318-H354 WeakPolarHBondContact CA-ND1 3.22Å; G318-H354 PolarHBondContact N-CE1 3.41Å; H354-A369 CarbonylContact O-C 3.51Å; H354-A369 VanDerWaalsContact O-CA 3.22Å; H354-A369 WeakPolarHBondContact O-CA 3.44Å; H354-V370 HydrophobicContact CB-CG2 4.12Å; H354-V370 PolarHBondContact N-O 2.96Å; H354-V370 PolarHBondContact O-N 2.93Å
355V96.8Very high95.5Very high1 Ų137.7 Ų37.71%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-77.3132.8177.5-176.10000108.4V314 G318 L320 F348 A368 A369V314-V355 HydrophobicContact CG1-CB 4.25Å; V314-V355 HydrophobicContact CG1-CG1 4.18Å; V314-V355 VanDerWaalsContact CG1-O 3.23Å; V314-V355 WeakPolarHBondContact CG1-O 3.32Å; V314-V355 HydrophobicContact CG2-CB 4.49Å; V314-V355 HydrophobicContact CG2-CG1 3.69Å; G318-V355 WeakPolarHBondContact CA-O 3.17Å; G318-V355 PolarHBondContact O-N 3.03Å; L320-V355 HydrophobicContact CB-CB 4.3Å; L320-V355 HydrophobicContact CB-CG1 4.34Å; L320-V355 HydrophobicContact CB-CG2 3.97Å; F348-V355 HydrophobicContact CB-CG2 3.85Å; F348-V355 HydrophobicContact CD1-CG2 3.79Å; F348-V355 HydrophobicContact CD2-CG2 3.87Å; F348-V355 HydrophobicContact CE1-CG2 4.35Å; F348-V355 HydrophobicContact CE2-CG2 4.42Å; F348-V355 HydrophobicContact CG-CG2 3.53Å; V355-A368 CarbonylContact C-O 3.58Å; V355-A368 WeakPolarHBondContact CA-O 3.41Å; V355-A369 HydrophobicContact CG2-CB 4.25Å
356V94.6Very high95.4Very high52 Ų5237.6 Ų37.632%0.31519%0.19SC..EExtended strand (participates in β ladder)trans-122.1-16.9-175.8-64.20000113.1M1 A368 V370M1-V356 HydrophobicContact CE-CB 4.45Å; M1-V356 HydrophobicContact CE-CG2 3.15Å; V356-A368 HydrophobicContact CG2-CB 4.05Å; V356-A368 WeakPolarHBondContact CG2-O 3.33Å; V356-A368 PolarHBondContact N-O 3.34Å; V356-V370 HydrophobicContact CG1-CG2 4.17Å
357D94.2Very high95.3Very high41 Ų4134.3 Ų34.322%0.21917%0.174CC..EExtended strand (participates in β ladder)trans-151.6152.2177.1-161.19.7000110.5W3 T367 A368W3-D357 HydrophobicContact CH2-CB 4.28Å; D357-T367 CarbonylContact O-C 3.57Å; D357-T367 WeakPolarHBondContact O-CA 3.29Å; D357-A368 HydrophobicContact CB-CB 3.85Å; D357-A368 PolarHBondContact N-O 3.05Å; D357-A368 PolarHBondContact O-N 3Å
358V97.1Very high95.2Very high4 Ų432.4 Ų32.42%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-143.9137.2177.462.70000110.6T303 S305 A312 V314 L320 T365 F366 T367T303-V358 HydrophobicContact CG2-CG1 4.19Å; S305-V358 WeakPolarHBondContact CB-O 3.37Å; A312-V358 HydrophobicContact CB-CG1 4.35Å; A312-V358 HydrophobicContact CB-CG2 3.61Å; V314-V358 HydrophobicContact CG2-CB 3.88Å; V314-V358 HydrophobicContact CG2-CG1 3.62Å; L320-V358 HydrophobicContact CD1-CB 4.25Å; L320-V358 HydrophobicContact CD1-CG2 4.05Å; V358-T365 HydrophobicContact CG2-CG2 3.72Å; V358-F366 CarbonylContact C-O 3.58Å; V358-F366 WeakPolarHBondContact CA-O 3.31Å; V358-T367 HydrophobicContact CB-CG2 4.28Å; V358-T367 HydrophobicContact CG2-CG2 3.83Å
359V95.9Very high95Very high20 Ų2032.2 Ų32.212%0.12117%0.165CC..EExtended strand (participates in β ladder)trans-135.3113.4177.9-1790000108.5W3 F366W3-V359 HydrophobicContact CH2-CG2 4.38Å; V359-F366 PolarHBondContact N-O 3.41Å; V359-F366 PolarHBondContact O-N 3.16Å
360C96.3Very high94.9Very high13 Ų1330.1 Ų30.19%0.08816%0.163CC..EExtended strand (participates in β ladder)trans-87.6127.2171.9-62.80000109.4S305 G307 H310 N364S305-C360 PolarHBondContact OG-N 3.02Å; G307-C360 VanDerWaalsContact N-CB 3.33Å; H310-C360 PolarHBondContact NE2-SG 3.03Å; C360-N364 CarbonylContact C-O 3.57Å; C360-N364 WeakPolarHBondContact CA-O 3.34Å
361G93.3Very high94.7Very high6 Ų631.3 Ų31.36%0.06216%0.163CC..  trans-82.1-170.9155.900000109.9G307 W363 N364G307-G361 WeakPolarHBondContact CA-O 3.26Å; G361-W363 PolarHBondContact O-N 2.8Å; G361-N364 VanDerWaalsContact CA-OD1 3.32Å; G361-N364 WeakPolarHBondContact CA-OD1 3Å; G361-N364 PolarHBondContact N-O 3.02Å; G361-N364 PolarHBondContact N-OD1 2.8Å
362S92.3Very high94.1Very high41 Ų4132.2 Ų32.229%0.28717%0.165SC..SBendtrans-58.8-37.4-178.2-49.90000112.6S308S308-S362 WeakPolarHBondContact CB-O 3.27Å; S308-S362 PolarHBondContact N-O 3.46Å
363W94.1Very high92.7Very high37 Ų3735.7 Ų35.714%0.1418%0.178CC..SBendtrans-146.422-175.9-45.487.8000113.8F8 W53 S308 R309 W325 Y328 Q330 G361F8-W363 HydrophobicContact CB-CB 3.85Å; F8-W363 WeakPolarHBondContact CB-O 3.31Å; F8-W363 PolarHBondContact N-O 2.99Å; W53-W363 AromaticContact CD2-CD1 3.94Å; W53-W363 AromaticContact CE3-CD1 2.97Å; W53-W363 HydrophobicContact CE3-CG 4.24Å; W53-W363 AromaticContact CE3-NE1 2.93Å; W53-W363 AromaticContact CH2-CD1 3.6Å; W53-W363 HydrophobicContact CH2-CG 4.37Å; W53-W363 AromaticContact CH2-NE1 3.84Å; W53-W363 AromaticContact CZ3-CD1 2.85Å; W53-W363 HydrophobicContact CZ3-CD2 4.31Å; W53-W363 AromaticContact CZ3-CE2 3.63Å; W53-W363 AromaticContact CZ3-CG 3.88Å; W53-W363 HydrophobicContact CZ3-CG 3.88Å; W53-W363 HydrophobicContact CZ3-CZ2 4.42Å; W53-W363 AromaticContact CZ3-NE1 2.74Å; S308-W363 VanDerWaalsContact CB-CZ2 3.49Å; S308-W363 WeakPolarHBondContact OG-CH2 3.42Å; S308-W363 WeakPolarHBondContact OG-CZ2 3.33Å; R309-W363 HydrophobicContact CB-CZ3 4.22Å; R309-W363 HydrophobicContact CG-CH2 4.07Å; R309-W363 HydrophobicContact CG-CZ3 4.14Å; W325-W363 HydrophobicContact CD2-CE3 4.33Å; W325-W363 HydrophobicContact CD2-CZ3 4Å; W325-W363 AromaticContact CE3-CE3 3.59Å; W325-W363 HydrophobicContact CE3-CE3 3.59Å; W325-W363 AromaticContact CE3-CZ3 3.73Å; W325-W363 HydrophobicContact CE3-CZ3 3.73Å; W325-W363 HydrophobicContact CH2-CE3 4.23Å; W325-W363 HydrophobicContact CH2-CZ3 4.42Å; W325-W363 AromaticContact CZ3-CE3 3.57Å; W325-W363 HydrophobicContact CZ3-CE3 3.57Å; W325-W363 AromaticContact CZ3-CZ3 3.99Å; W325-W363 HydrophobicContact CZ3-CZ3 3.99Å; Y328-W363 HydrophobicContact CD2-CB 3.76Å; Y328-W363 HydrophobicContact CD2-CD2 4.27Å; Y328-W363 HydrophobicContact CD2-CE3 4.26Å; Y328-W363 HydrophobicContact CD2-CG 4.05Å; Y328-W363 HydrophobicContact CE2-CB 4.46Å; Y328-W363 HydrophobicContact CE2-CD2 4.36Å; Y328-W363 HydrophobicContact CE2-CE3 4.47Å; Y328-W363 HydrophobicContact CE2-CG 4.33Å; Q330-W363 WeakPolarHBondContact CB-O 3.28Å; G361-W363 PolarHBondContact O-N 2.8Å
364N94.7Very high90.5Very high1 Ų141.6 Ų41.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-140.8163.9173.254.532.6000109.1F6 C360 G361 F366F6-N364 CarbonylContact O-C 3.59Å; F6-N364 VanDerWaalsContact O-CA 3.27Å; F6-N364 WeakPolarHBondContact O-CA 3.28Å; F6-N364 WeakPolarHBondContact O-CB 3.46Å; C360-N364 CarbonylContact C-O 3.57Å; C360-N364 WeakPolarHBondContact CA-O 3.34Å; G361-N364 VanDerWaalsContact CA-OD1 3.32Å; G361-N364 WeakPolarHBondContact CA-OD1 3Å; G361-N364 PolarHBondContact N-O 3.02Å; G361-N364 PolarHBondContact N-OD1 2.8Å; N364-F366 HydrophobicContact CB-CE2 4.35Å; N364-F366 WeakPolarHBondContact OD1-CE2 3.01Å
365T97.1Very high88.1Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-135.9130.5-177.8-56.50000108G5 F6 H310 A312 Q330 V358 T367G5-T365 WeakPolarHBondContact CA-O 3.49Å; F6-T365 HydrophobicContact CE1-CG2 4.14Å; F6-T365 VanDerWaalsContact CE2-CB 3.49Å; F6-T365 HydrophobicContact CE2-CG2 3.82Å; F6-T365 HydrophobicContact CZ-CG2 3.47Å; F6-T365 VanDerWaalsContact CZ-CG2 3.47Å; F6-T365 PolarHBondContact N-O 2.93Å; F6-T365 PolarHBondContact O-N 3.48Å; H310-T365 PolarHBondContact NE2-OG1 3.38Å; A312-T365 HydrophobicContact CB-CG2 4.46Å; Q330-T365 WeakPolarHBondContact O-CB 3.48Å; Q330-T365 PolarHBondContact O-OG1 3.45Å; V358-T365 HydrophobicContact CG2-CG2 3.72Å; T365-T367 HydrophobicContact CG2-CG2 4.08Å
366F95.9Very high85.2Confident0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-117133.4176.1-61.7-80.1000109.4W3 F4 Q13 I14 L40 I49 A51 V358 V359 N364W3-F366 HydrophobicContact CE3-CB 4.27Å; W3-F366 HydrophobicContact CZ3-CB 4.28Å; F4-F366 CarbonylContact O-C 3.12Å; F4-F366 WeakPolarHBondContact O-CA 3.39Å; Q13-F366 HydrophobicContact CB-CZ 4.28Å; I14-F366 HydrophobicContact CG1-CE1 3.93Å; I14-F366 HydrophobicContact CG1-CZ 4.33Å; L40-F366 HydrophobicContact CD1-CD1 3.68Å; L40-F366 HydrophobicContact CD1-CE1 4.08Å; I49-F366 HydrophobicContact CG2-CB 4.08Å; I49-F366 HydrophobicContact CG2-CD2 4.29Å; I49-F366 HydrophobicContact CG2-CG 4.06Å; A51-F366 HydrophobicContact CB-CD2 3.56Å; A51-F366 HydrophobicContact CB-CE2 3.44Å; A51-F366 VanDerWaalsContact CB-CE2 3.44Å; V358-F366 CarbonylContact C-O 3.58Å; V358-F366 WeakPolarHBondContact CA-O 3.31Å; V359-F366 PolarHBondContact N-O 3.41Å; V359-F366 PolarHBondContact O-N 3.16Å; N364-F366 HydrophobicContact CB-CE2 4.35Å; N364-F366 WeakPolarHBondContact OD1-CE2 3.01Å
367T95.9Very high82.5Confident0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-131.9140-175.262.60000110.5W3 F4 F6 L320 F348 D357 V358 T365W3-T367 CarbonylContact C-O 3.59Å; W3-T367 VanDerWaalsContact CA-O 3.26Å; W3-T367 WeakPolarHBondContact CA-O 3.12Å; F4-T367 PolarHBondContact N-O 3.07Å; F4-T367 PolarHBondContact O-N 3.29Å; F6-T367 HydrophobicContact CE1-CG2 3.87Å; F6-T367 HydrophobicContact CZ-CG2 4.1Å; L320-T367 HydrophobicContact CD1-CG2 4.27Å; L320-T367 HydrophobicContact CD2-CG2 3.53Å; F348-T367 HydrophobicContact CZ-CG2 4.49Å; F348-T367 WeakPolarHBondContact CZ-OG1 3.27Å; D357-T367 CarbonylContact O-C 3.57Å; D357-T367 WeakPolarHBondContact O-CA 3.29Å; V358-T367 HydrophobicContact CB-CG2 4.28Å; V358-T367 HydrophobicContact CG2-CG2 3.83Å; T365-T367 HydrophobicContact CG2-CG2 4.08Å
368A93.9Very high79.9Confident0 Ų061.6 Ų61.60%033%0.331CS..EExtended strand (participates in β ladder)trans-99.5130.2172.900000109M1 R2 W3 V355 V356 D357M1-A368 HydrophobicContact CE-CB 3.72Å; M1-A368 HydrophobicContact CG-CB 3.93Å; M1-A368 HydrophobicContact SD-CB 3.88Å; R2-A368 CarbonylContact O-C 3.53Å; R2-A368 WeakPolarHBondContact O-CA 3.3Å; W3-A368 HydrophobicContact CD2-CB 3.77Å; W3-A368 HydrophobicContact CE3-CB 3.95Å; W3-A368 HydrophobicContact CG-CB 4.46Å; W3-A368 HydrophobicContact CH2-CB 3.81Å; W3-A368 HydrophobicContact CZ2-CB 3.59Å; W3-A368 HydrophobicContact CZ3-CB 3.98Å; V355-A368 CarbonylContact C-O 3.58Å; V355-A368 WeakPolarHBondContact CA-O 3.41Å; V356-A368 HydrophobicContact CG2-CB 4.05Å; V356-A368 WeakPolarHBondContact CG2-O 3.33Å; V356-A368 PolarHBondContact N-O 3.34Å; D357-A368 HydrophobicContact CB-CB 3.85Å; D357-A368 PolarHBondContact N-O 3.05Å; D357-A368 PolarHBondContact O-N 3Å
369A93.8Very high77Confident0 Ų068.4 Ų68.40%037%0.367CS..EExtended strand (participates in β ladder)trans-136.7154.7179.200000112.9M1 R2 F4 F348 L353 H354 V355M1-A369 CarbonylContact C-O 3.37Å; M1-A369 WeakPolarHBondContact CA-O 3.34Å; R2-A369 PolarHBondContact N-O 3.09Å; R2-A369 PolarHBondContact O-N 3.34Å; F4-A369 HydrophobicContact CD2-CB 4.32Å; F4-A369 HydrophobicContact CE2-CB 4.02Å; F348-A369 HydrophobicContact CD1-CB 4.15Å; F348-A369 HydrophobicContact CE1-CB 4.32Å; L353-A369 HydrophobicContact CB-CB 4.04Å; H354-A369 CarbonylContact O-C 3.51Å; H354-A369 VanDerWaalsContact O-CA 3.22Å; H354-A369 WeakPolarHBondContact O-CA 3.44Å; V355-A369 HydrophobicContact CG2-CB 4.25Å
370V92.1Very high74.5Confident52 Ų5273.9 Ų73.932%0.31540%0.4SS..EExtended strand (participates in β ladder)trans-125147.4175.9-65.30000109.6M1 L353 H354 V356M1-V370 HydrophobicContact CB-CG1 4.08Å; M1-V370 HydrophobicContact CG-CG1 4.45Å; L353-V370 CarbonylContact C-O 3.51Å; L353-V370 WeakPolarHBondContact CA-O 3.48Å; H354-V370 HydrophobicContact CB-CG2 4.12Å; H354-V370 PolarHBondContact N-O 2.96Å; H354-V370 PolarHBondContact O-N 2.93Å; V356-V370 HydrophobicContact CG1-CG2 4.17Å
371K90.3Very high71.7Confident140 Ų14078.8 Ų78.861%0.60943%0.432SS*.EExtended strand (participates in β ladder)trans-62.2142171.6-78.2-168.4172.8-167.90109.5L353 E373L353-K371 HydrophobicContact CD2-CG 3.99Å; K371-E373 PolarHBondContact O-N 2.86Å
372K83.3Confident69.1Low129 Ų12987.6 Ų87.656%0.56147%0.472SS*.  trans-69.6-5.8179.8-161.1176.7177.9-179.60114.2N352 V374N352-K372 WeakPolarHBondContact O-CB 3.29Å; N352-K372 PolarHBondContact O-N 3.5Å; N352-K372 VanDerWaalsContact OD1-CB 3.24Å; N352-K372 WeakPolarHBondContact OD1-CB 3.4Å; N352-K372 WeakPolarHBondContact OD1-CD 3.4Å; K372-V374 PolarHBondContact O-N 2.74Å; K372-V374 VanDerWaalsContact O-N 3.12Å
373E65.1Low66.8Low148 Ų14893.5 Ų93.569%0.69250%0.499SS*.THydrogen-bonded Turntrans-68.8111.7-175.3-74.3178.6173.800113.3K371K371-E373 PolarHBondContact O-N 2.86Å
374V48.4Very low64.3Low134 Ų13496.8 Ų96.881%0.81253%0.525SS*.THydrogen-bonded Turntrans7359.7168.7-153.60000117.1K372K372-V374 PolarHBondContact O-N 2.74Å; K372-V374 VanDerWaalsContact O-N 3.12Å
375L45.6Very low61.5Low158 Ų158102.6 Ų102.683%0.82756%0.563SS**SBendtrans-91.4103.9131.1-70.2170.6000105.7L377L375-L377 VanDerWaalsContact C-N 3.34Å; L375-L377 PolarHBondContact O-N 2.84Å
376G35.8Very low58.9Low71 Ų71109.3 Ų109.373%0.73260%0.604SS**  trans-62.384.6-173.100000114
377L37Very low56Low161 Ų161114.3 Ų114.384%0.84364%0.639SS**  trans-121.688162.6-72.5169000107.1L375L375-L377 VanDerWaalsContact C-N 3.34Å; L375-L377 PolarHBondContact O-N 2.84Å
378E40.2Very low53.6Low178 Ų178121.2 Ų121.283%0.83268%0.681SS**  trans-63.5136.7161.2-75.6-177.2154.500109.1
379N36.4Very low50.7Low148 Ų148124.2 Ų124.279%0.79171%0.712SS**  trans74.285.3164.1-53.1-42.4000117.4
380V43.3Very low48.4Very low134 Ų134130.2 Ų130.281%0.81275%0.754SS**  trans-108121.7142.4-177.50000106.6E382V380-E382 PolarHBondContact O-N 3.43Å
381P36.6Very low45.7Very low117 Ų117136.2 Ų136.276%0.7678%0.779SS**PPolyproline II helixtrans-65.9134.7-179.120.5-23.3000110.6L383P381-L383 PolarHBondContact O-N 3.04Å
382E40.5Very low43.2Very low190 Ų190137.7 Ų137.789%0.88879%0.792SS**PPolyproline II helixtrans-54.2133172.5-71.6177.7152.300110.4V380V380-E382 PolarHBondContact O-N 3.43Å
383L42.2Very low40.9Very low166 Ų166143.8 Ų143.887%0.86981%0.812SS**PPolyproline II helixtrans-62.6132.1167.2-82.6158.5000108.7P381P381-L383 PolarHBondContact O-N 3.04Å
384P41.4Very low39.4Very low105 Ų105142.7 Ų142.768%0.68282%0.815SS**PPolyproline II helixtrans-66149.6178.727-32.5000110.6
385P37.8Very low39.3Very low124 Ų124142.2 Ų142.281%0.80581%0.813SS**PPolyproline II helixtrans-62.914017925.6-32.6000110.8S387P385-S387 PolarHBondContact O-N 3.17Å
386V40.7Very low39Very low140 Ų140144.7 Ų144.785%0.84884%0.841SS**  trans-61.4106.1173.7177.80000108.8T388V386-T388 PolarHBondContact O-N 2.96Å
387S36.3Very low39.2Very low106 Ų106148.4 Ų148.474%0.74185%0.847SS**  trans-75.3113.1167.858.30000109P385 G389P385-S387 PolarHBondContact O-N 3.17Å; S387-G389 PolarHBondContact O-N 3.15Å
388T45Very low39.3Very low145 Ų145147.7 Ų147.789%0.8985%0.847SS**  trans-64.699.8160.849.20000108.2V386V386-T388 PolarHBondContact O-N 2.96Å
389G33.5Very low39.3Very low63 Ų63146 Ų14665%0.64985%0.848SS**  trans-150.1101.3179.400000109.8S387 E391S387-G389 PolarHBondContact O-N 3.15Å; G389-E391 PolarHBondContact O-N 3.36Å
390S44.7Very low39.4Very low125 Ų125145.9 Ų145.987%0.87485%0.851SS**  trans-62.5109.8167.951.20000110.1
391E35.1Very low39.2Very low178 Ų178146.6 Ų146.683%0.83285%0.853SS**  trans-134.1128.8160.6-77.4-165.5149.200111.5G389G389-E391 PolarHBondContact O-N 3.36Å
392L39Very low39.4Very low172 Ų172148.6 Ų148.690%0.90186%0.859SS**  trans-61.8128.2179.5-72133.9000110.8T394L392-T394 PolarHBondContact O-N 3.45Å
393W33.5Very low39.3Very low257 Ų257145.6 Ų145.697%0.97386%0.857SS**  trans-85.3110.4164.7-68.387.6000109.3
394T35.3Very low39.1Very low124 Ų124144.1 Ų144.176%0.76186%0.857SS**  trans-90.4136.5160.4-54.10000108.8L392L392-T394 PolarHBondContact O-N 3.45Å
395T45.8Very low38.9Very low125 Ų125147.3 Ų147.377%0.76787%0.871SS**  trans-40.5146.2176.844.60000117.2
396C39.8Very low39Very low209 Ų209149.5 Ų149.5100%1.41288%0.877SS**  -149.80126.5-95.50000109.6

Retrieved 396 of 396 residues in 163.8 ms (Link to these results)

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