X5DR79_HUMAN Loading...

E3 ubiquitin-protein ligase parkin

AlphaFold DB (O60260), UniProt , Accession X5DR79, Species HUMAN (Homo sapiens, Human), Gene PARK2, Length 465 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
1M86.6Confident86.1Confident63 Ų6317.4 Ų17.431%0.319%0.091SC..  0150.80-171.1179.381.600108.8V3 V17 V56 L61 D62 Q63M1-V3 HydrophobicContact CE-CG1 3.56Å; M1-V17 WeakPolarHBondContact CA-O 3.46Å; M1-V17 HydrophobicContact CB-CG2 4.31Å; M1-V17 WeakPolarHBondContact CB-O 3.27Å; M1-V17 HydrophobicContact CE-CG2 3.81Å; M1-V17 PolarHBondContact N-O 3.43Å; M1-V17 PolarHBondContact O-N 3.04Å; M1-V56 HydrophobicContact CE-CG1 3.23Å; M1-V56 HydrophobicContact SD-CG1 4.36Å; M1-L61 HydrophobicContact CE-CB 3.84Å; M1-L61 WeakPolarHBondContact CE-O 3.26Å; M1-D62 VanDerWaalsContact SD-C 3.6Å; M1-Q63 VanDerWaalsContact CA-OE1 3.24Å; M1-Q63 HydrophobicContact CG-CB 4.37Å
2I87.1Confident86Confident28 Ų2815.9 Ų15.914%0.1448%0.084CC..EExtended strand (participates in β ladder)trans-114.6127.8176.9-58.1168.5000109.8P14 V15 E16 Q64 V380I2-P14 HydrophobicContact CG2-CB 3.72Å; I2-V15 WeakPolarHBondContact CA-O 3.24Å; I2-E16 HydrophobicContact CG1-CG 4.05Å; I2-Q64 PolarHBondContact O-N 2.62Å; I2-V380 HydrophobicContact CB-CG1 4.1Å; I2-V380 HydrophobicContact CD1-CB 4.18Å; I2-V380 HydrophobicContact CD1-CG1 3.7Å; I2-V380 HydrophobicContact CD1-CG2 3.68Å; I2-V380 HydrophobicContact CG1-CG1 4.49Å; I2-V380 HydrophobicContact CG2-CG1 3.74Å
3V88.6Confident86.1Confident1 Ų115.7 Ų15.71%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-115.2148.2172.6-62.80000109.7M1 V5 V15 V17 S65M1-V3 HydrophobicContact CE-CG1 3.56Å; V3-V5 HydrophobicContact CG2-CG2 4.49Å; V3-V15 HydrophobicContact CG2-CB 4.27Å; V3-V15 PolarHBondContact N-O 2.85Å; V3-V15 PolarHBondContact O-N 2.94Å; V3-V17 HydrophobicContact CG1-CG2 3.92Å; V3-V17 HydrophobicContact CG2-CG1 4.04Å; V3-V17 HydrophobicContact CG2-CG2 4.05Å; V3-S65 CarbonylContact C-O 3.58Å; V3-S65 WeakPolarHBondContact CA-O 3.25Å
4F89Confident86.3Confident4 Ų417.7 Ų17.72%0.01810%0.096CC..EExtended strand (participates in β ladder)trans-96.9127.6174.9-68-75.8000110.4G12 P14 Q64 S65 I66 V67 V380 E382F4-G12 WeakPolarHBondContact CD1-O 3.19Å; F4-P14 HydrophobicContact CD1-CB 4.25Å; F4-P14 HydrophobicContact CE1-CB 4.04Å; F4-Q64 HydrophobicContact CD2-CB 4.31Å; F4-Q64 HydrophobicContact CE2-CB 3.85Å; F4-Q64 HydrophobicContact CE2-CG 3.91Å; F4-S65 PolarHBondContact N-O 3.36Å; F4-I66 HydrophobicContact CB-CG1 4.18Å; F4-I66 CarbonylContact O-C 3.53Å; F4-I66 WeakPolarHBondContact O-CA 3.38Å; F4-V67 PolarHBondContact O-N 3.21Å; F4-V380 HydrophobicContact CZ-CG1 3.92Å; F4-E382 HydrophobicContact CB-CG 4.01Å; F4-E382 VanDerWaalsContact CB-OE1 3.25Å; F4-E382 WeakPolarHBondContact CB-OE1 3.5Å; F4-E382 HydrophobicContact CD1-CG 3.57Å; F4-E382 HydrophobicContact CD2-CG 3.64Å; F4-E382 HydrophobicContact CE1-CG 3.84Å; F4-E382 HydrophobicContact CE2-CG 3.9Å; F4-E382 HydrophobicContact CG-CG 3.46Å; F4-E382 VanDerWaalsContact CG-CG 3.46Å; F4-E382 HydrophobicContact CZ-CG 4Å
5V89.7Confident86.6Confident0 Ų017.2 Ų17.20%09%0.094CC..EExtended strand (participates in β ladder)trans-108.1115-177.3179.40000110.1V3 G12 F13 V15 L26 V30 V67 I69V3-V5 HydrophobicContact CG2-CG2 4.49Å; V5-G12 WeakPolarHBondContact O-CA 3.35Å; V5-F13 HydrophobicContact CB-CD2 4.12Å; V5-F13 HydrophobicContact CB-CE1 4.24Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.74Å; V5-F13 HydrophobicContact CG1-CE1 4.14Å; V5-F13 HydrophobicContact CG1-CE2 4.04Å; V5-F13 HydrophobicContact CG1-CZ 3.62Å; V5-F13 HydrophobicContact CG2-CE2 4.3Å; V5-F13 PolarHBondContact N-O 2.87Å; V5-F13 VanDerWaalsContact O-CD1 3.24Å; V5-F13 WeakPolarHBondContact O-CD1 3.48Å; V5-F13 WeakPolarHBondContact O-CE1 3.16Å; V5-F13 PolarHBondContact O-N 3.47Å; V5-F13 VanDerWaalsContact O-N 3.08Å; V5-V15 HydrophobicContact CB-CG2 4.2Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.53Å; V5-L26 HydrophobicContact CG2-CD1 4.33Å; V5-V30 HydrophobicContact CG1-CG2 4.02Å; V5-V30 HydrophobicContact CG2-CG2 4.46Å; V5-V67 WeakPolarHBondContact CA-O 3.26Å; V5-V67 HydrophobicContact CB-CG2 4.38Å; V5-V67 HydrophobicContact CG2-CG2 3.75Å; V5-I69 HydrophobicContact CG1-CB 4.22Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.75Å
6R88.4Confident86.8Confident17 Ų1726.5 Ų26.56%0.06414%0.136CC..EExtended strand (participates in β ladder)trans-93.1108.4172.5-71.9-179.4179.6-174.3-8.3110.4S10 I66 V67 H68 I69 N273 D274 E382R6-S10 PolarHBondContact NE-O 3.16Å; R6-I66 HydrophobicContact CG-CG2 4Å; R6-V67 PolarHBondContact N-O 3.17Å; R6-H68 WeakPolarHBondContact O-CA 3.37Å; R6-I69 PolarHBondContact O-N 3.01Å; R6-N273 HydrophobicContact CB-CB 4.37Å; R6-D274 IonicContact NH1-OD1 3.36Å; R6-D274 PolarHBondContact NH1-OD1 3.15Å; R6-E382 IonicContact CZ-OE2 3.14Å; R6-E382 IonicContact NE-OE1 3.58Å; R6-E382 IonicContact NE-OE2 2.67Å; R6-E382 IonicContact NH2-OE1 3.97Å; R6-E382 IonicContact NH2-OE2 3.27Å; R6-E382 PolarHBondContact NH2-OE2 3.04Å
7F87.5Confident87Confident11 Ų1125.3 Ų25.35%0.04813%0.13CC..EExtended strand (participates in β ladder)trans-121.3110.6176.3179.9-97.1000110.1S9 F13 Q34 V36 L41 I69 Q71F7-S9 PolarHBondContact O-N 2.96Å; F7-F13 HydrophobicContact CB-CE1 4.14Å; F7-Q34 HydrophobicContact CD1-CB 4.46Å; F7-Q34 HydrophobicContact CD1-CG 3.77Å; F7-Q34 HydrophobicContact CE1-CB 4.09Å; F7-Q34 HydrophobicContact CE1-CG 3.91Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; F7-V36 HydrophobicContact CZ-CG2 4.32Å; F7-L41 HydrophobicContact CE2-CD2 3.93Å; F7-I69 HydrophobicContact CD2-CB 4.06Å; F7-I69 HydrophobicContact CD2-CG2 3.84Å; F7-I69 VanDerWaalsContact CD2-O 3.26Å; F7-I69 WeakPolarHBondContact CD2-O 3.26Å; F7-I69 HydrophobicContact CE2-CG2 4.32Å; F7-Q71 HydrophobicContact CE2-CB 4.32Å
8N83.8Confident87.2Confident11 Ų1129.8 Ų29.86%0.05916%0.155CC..SBendtrans46.327.9-178-67-11.2000115.3E310 Q311 R314N8-E310 PolarHBondContact ND2-OE1 3.38Å; N8-Q311 PolarHBondContact ND2-NE2 3.28Å; N8-Q311 PolarHBondContact OD1-NE2 2.86Å; N8-Q311 VanDerWaalsContact OD1-NE2 3.09Å; N8-R314 PolarHBondContact O-NH2 3.07Å
9S82.5Confident87.2Confident11 Ų1132.1 Ų32.18%0.07717%0.174CC..SBendtrans-147.5154.9-176.8-176.90000109.6F7 H11F7-S9 PolarHBondContact O-N 2.96Å; S9-H11 VanDerWaalsContact C-N 3.31Å; S9-H11 PolarHBondContact OG-N 3.18Å
10S81.3Confident87.3Confident29 Ų2936.4 Ų36.420%0.20320%0.197CC..SBendtrans-79.3-15.5170.257.70000113.2R6 N273R6-S10 PolarHBondContact NE-O 3.16Å; S10-N273 VanDerWaalsContact CA-O 3.28Å; S10-N273 WeakPolarHBondContact CA-O 3.43Å
11H83Confident87.4Confident16 Ų1635.7 Ų35.77%0.07419%0.193CC..SBendtrans-91.5129.9174.3-177.961.3000110.3S9 P333 E370S9-H11 VanDerWaalsContact C-N 3.31Å; S9-H11 PolarHBondContact OG-N 3.18Å; H11-P333 HydrophobicContact CB-CB 4.11Å; H11-E370 IonicContact CE1-OE1 2.66Å; H11-E370 IonicContact NE2-OE1 3.1Å; H11-E370 PolarHBondContact NE2-OE1 3.41Å; H11-E370 VanDerWaalsContact NE2-OE1 3.1Å
12G84.7Confident87.7Confident0 Ų033.9 Ų33.90%019%0.187CC..PPolyproline II helixtrans-90.1125.9170.400000110.9F4 V5 E382F4-G12 WeakPolarHBondContact CD1-O 3.19Å; V5-G12 WeakPolarHBondContact O-CA 3.35Å; G12-E382 WeakPolarHBondContact CA-OE1 3.33Å; G12-E382 PolarHBondContact N-OE1 2.77Å; G12-E382 PolarHBondContact N-OE2 3.34Å
13F86.6Confident88Confident13 Ų1332.6 Ų32.66%0.05718%0.18CC..EExtended strand (participates in β ladder)trans-86.1143.6172.456.6-97000110.4V5 F7 V15 V30V5-F13 HydrophobicContact CB-CD2 4.12Å; V5-F13 HydrophobicContact CB-CE1 4.24Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.74Å; V5-F13 HydrophobicContact CG1-CE1 4.14Å; V5-F13 HydrophobicContact CG1-CE2 4.04Å; V5-F13 HydrophobicContact CG1-CZ 3.62Å; V5-F13 HydrophobicContact CG2-CE2 4.3Å; V5-F13 PolarHBondContact N-O 2.87Å; V5-F13 VanDerWaalsContact O-CD1 3.24Å; V5-F13 WeakPolarHBondContact O-CD1 3.48Å; V5-F13 WeakPolarHBondContact O-CE1 3.16Å; V5-F13 PolarHBondContact O-N 3.47Å; V5-F13 VanDerWaalsContact O-N 3.08Å; F7-F13 HydrophobicContact CB-CE1 4.14Å; F13-V15 HydrophobicContact CD2-CG2 3.66Å; F13-V15 HydrophobicContact CE2-CG2 3.49Å; F13-V15 VanDerWaalsContact CE2-CG2 3.49Å; F13-V30 HydrophobicContact CE2-CG2 4.28Å; F13-V30 HydrophobicContact CZ-CG1 4.24Å; F13-V30 HydrophobicContact CZ-CG2 4.2Å
14P89.6Confident88.1Confident44 Ų4436.6 Ų36.629%0.28620%0.198SC..EExtended strand (participates in β ladder)trans-69.9139.7178.527.6-33.6000111.4I2 F4I2-P14 HydrophobicContact CG2-CB 3.72Å; F4-P14 HydrophobicContact CD1-CB 4.25Å; F4-P14 HydrophobicContact CE1-CB 4.04Å
15V90.1Very high88.3Confident10 Ų1040.7 Ų40.76%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-131.5127.5171-1780000108.9I2 V3 V5 F13 V17 L26 V29I2-V15 WeakPolarHBondContact CA-O 3.24Å; V3-V15 HydrophobicContact CG2-CB 4.27Å; V3-V15 PolarHBondContact N-O 2.85Å; V3-V15 PolarHBondContact O-N 2.94Å; V5-V15 HydrophobicContact CB-CG2 4.2Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.53Å; F13-V15 HydrophobicContact CD2-CG2 3.66Å; F13-V15 HydrophobicContact CE2-CG2 3.49Å; F13-V15 VanDerWaalsContact CE2-CG2 3.49Å; V15-V17 HydrophobicContact CG1-CG1 4.14Å; V15-L26 HydrophobicContact CB-CD1 4.46Å; V15-L26 HydrophobicContact CG1-CD1 3.9Å; V15-V29 HydrophobicContact CG1-CG1 4.06Å
16E90.7Very high88.4Confident166 Ų16640.8 Ų40.878%0.77622%0.218SC*.EExtended strand (participates in β ladder)trans-78.1127.5172.8-72.8175.8-170.900110I2I2-E16 HydrophobicContact CG1-CG 4.05Å
17V89.7Confident88.6Confident6 Ų640.5 Ų40.54%0.03622%0.217CC..  trans-136.5146.8178.3-62.20000110.4M1 V3 V15 T21 L26 V56M1-V17 WeakPolarHBondContact CA-O 3.46Å; M1-V17 HydrophobicContact CB-CG2 4.31Å; M1-V17 WeakPolarHBondContact CB-O 3.27Å; M1-V17 HydrophobicContact CE-CG2 3.81Å; M1-V17 PolarHBondContact N-O 3.43Å; M1-V17 PolarHBondContact O-N 3.04Å; V3-V17 HydrophobicContact CG1-CG2 3.92Å; V3-V17 HydrophobicContact CG2-CG1 4.04Å; V3-V17 HydrophobicContact CG2-CG2 4.05Å; V15-V17 HydrophobicContact CG1-CG1 4.14Å; V17-T21 HydrophobicContact CB-CG2 4.32Å; V17-T21 HydrophobicContact CG1-CG2 4.31Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; V17-V56 HydrophobicContact CB-CG2 4.17Å; V17-V56 HydrophobicContact CG2-CG1 4.29Å; V17-V56 HydrophobicContact CG2-CG2 4.07Å
18D90.3Very high88.9Confident107 Ų10743.5 Ų43.557%0.57223%0.231SC*.  trans-96.6161.5172.2-64.1-42.9000110.5D20 T21D18-D20 WeakPolarHBondContact CB-OD1 3.42Å; D18-D20 PolarHBondContact O-N 3.45Å; D18-T21 PolarHBondContact N-OG1 2.88Å; D18-T21 WeakPolarHBondContact O-CB 3.14Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 3.01Å
19S87.7Confident89.3Confident73 Ų7346.6 Ų46.651%0.5125%0.25SS..THydrogen-bonded Turntrans-61.4-30.5-176.6-56.40000113.3Q57S19-Q57 WeakPolarHBondContact O-CB 3.23Å; S19-Q57 PolarHBondContact O-N 2.95Å; S19-Q57 VanDerWaalsContact O-N 3.07Å
20D89.2Confident89.6Confident118 Ų11846 Ų4663%0.63125%0.246SC*.THydrogen-bonded Turntrans-87-6.1177.167.2-24000113.2D18 S22D18-D20 WeakPolarHBondContact CB-OD1 3.42Å; D18-D20 PolarHBondContact O-N 3.45Å; D20-S22 PolarHBondContact O-N 2.94Å
21T90Very high90.1Very high21 Ų2145.2 Ų45.213%0.12924%0.241CC..  trans-60.9125.1177.7-61.80000109.3V17 D18 Q25 T55 V56V17-T21 HydrophobicContact CB-CG2 4.32Å; V17-T21 HydrophobicContact CG1-CG2 4.31Å; D18-T21 PolarHBondContact N-OG1 2.88Å; D18-T21 WeakPolarHBondContact O-CB 3.14Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 3.01Å; T21-Q25 HydrophobicContact CG2-CB 3.99Å; T21-T55 CarbonylContact O-C 3.59Å; T21-T55 WeakPolarHBondContact O-CA 3.36Å; T21-V56 WeakPolarHBondContact O-CG2 3.12Å; T21-V56 PolarHBondContact O-N 3.15Å
22S93Very high90.5Very high26 Ų2652.6 Ų52.618%0.18227%0.273CS..BIsolated β-bridgetrans-76.8153.6175.663.80000111.6D20 F24 Q25 L26 W54D20-S22 PolarHBondContact O-N 2.94Å; S22-F24 PolarHBondContact O-N 3.29Å; S22-Q25 WeakPolarHBondContact O-CB 3.39Å; S22-Q25 PolarHBondContact O-N 2.74Å; S22-Q25 VanDerWaalsContact O-N 3.11Å; S22-Q25 WeakPolarHBondContact OG-CB 3.43Å; S22-Q25 VanDerWaalsContact OG-CD 3.3Å; S22-Q25 VanDerWaalsContact OG-CG 3.24Å; S22-Q25 WeakPolarHBondContact OG-CG 3.38Å; S22-Q25 PolarHBondContact OG-N 2.82Å; S22-Q25 VanDerWaalsContact OG-N 3.15Å; S22-Q25 PolarHBondContact OG-OE1 3.38Å; S22-L26 PolarHBondContact O-N 2.86Å; S22-L26 VanDerWaalsContact O-N 3.08Å; S22-W54 WeakPolarHBondContact CA-O 3.32Å
23I92.3Very high90.7Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-60.8-30.4172.6-62.3-59.1000111.4L26 K27 V43 L50 R51 W54I23-L26 PolarHBondContact O-N 2.65Å; I23-K27 WeakPolarHBondContact O-CG 3.45Å; I23-K27 PolarHBondContact O-N 3.37Å; I23-V43 HydrophobicContact CG2-CB 3.93Å; I23-V43 HydrophobicContact CG2-CG2 3.69Å; I23-L50 HydrophobicContact CD1-CB 4.08Å; I23-L50 HydrophobicContact CD1-CD1 3.64Å; I23-L50 HydrophobicContact CG1-CB 3.95Å; I23-L50 HydrophobicContact CG1-CD1 4.39Å; I23-L50 HydrophobicContact CG2-CB 4.12Å; I23-R51 VanDerWaalsContact CB-O 3.3Å; I23-R51 WeakPolarHBondContact CB-O 3.1Å; I23-W54 HydrophobicContact CG1-CB 4.3Å; I23-W54 WeakPolarHBondContact CG1-O 3.13Å; I23-W54 PolarHBondContact N-O 3.46Å
24F92.1Very high90.7Very high85 Ų8561 Ų6137%0.37331%0.307SS..Hα-helixtrans-62.9-46.6172.7-173.1-101.3000112.3S22 L26 K27 E28 N52S22-F24 PolarHBondContact O-N 3.29Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.36Å; F24-K27 WeakPolarHBondContact O-CA 3.39Å; F24-K27 WeakPolarHBondContact O-CB 3.45Å; F24-K27 PolarHBondContact O-N 3.38Å; F24-K27 VanDerWaalsContact O-N 3.1Å; F24-E28 HydrophobicContact CD1-CG 4.19Å; F24-E28 VanDerWaalsContact CE1-CD 3.5Å; F24-E28 HydrophobicContact CE1-CG 3.84Å; F24-E28 HydrophobicContact CZ-CG 4.26Å; F24-E28 PolarHBondContact O-N 2.81Å; F24-N52 HydrophobicContact CB-CB 4.16Å; F24-N52 HydrophobicContact CD2-CB 4.46Å; F24-N52 PolarHBondContact N-O 3.29Å
25Q92.4Very high90.6Very high91 Ų9162.2 Ų62.243%0.42533%0.328SS..Hα-helixtrans-60.8-40.4175.6-75162.3-31.700111.7T21 S22 K27 E28 V29T21-Q25 HydrophobicContact CG2-CB 3.99Å; S22-Q25 WeakPolarHBondContact O-CB 3.39Å; S22-Q25 PolarHBondContact O-N 2.74Å; S22-Q25 VanDerWaalsContact O-N 3.11Å; S22-Q25 WeakPolarHBondContact OG-CB 3.43Å; S22-Q25 VanDerWaalsContact OG-CD 3.3Å; S22-Q25 VanDerWaalsContact OG-CG 3.24Å; S22-Q25 WeakPolarHBondContact OG-CG 3.38Å; S22-Q25 PolarHBondContact OG-N 2.82Å; S22-Q25 VanDerWaalsContact OG-N 3.15Å; S22-Q25 PolarHBondContact OG-OE1 3.38Å; Q25-K27 VanDerWaalsContact C-N 3.32Å; Q25-K27 PolarHBondContact O-N 3.09Å; Q25-E28 WeakPolarHBondContact O-CB 3.46Å; Q25-E28 PolarHBondContact O-N 3.37Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.94Å
26L91.6Very high90.5Very high2 Ų262.8 Ų62.81%0.0133%0.331CS..Hα-helixtrans-59.3-42173.6178.761.4000111.9V5 V15 V17 S22 I23 F24 V29 V30 V43 V67V5-L26 HydrophobicContact CG2-CD1 4.33Å; V15-L26 HydrophobicContact CB-CD1 4.46Å; V15-L26 HydrophobicContact CG1-CD1 3.9Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; S22-L26 PolarHBondContact O-N 2.86Å; S22-L26 VanDerWaalsContact O-N 3.08Å; I23-L26 PolarHBondContact O-N 2.65Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.36Å; L26-V29 PolarHBondContact O-N 2.89Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.27Å; L26-V43 HydrophobicContact CD2-CG1 4.38Å; L26-V67 HydrophobicContact CD2-CG2 4.38Å
27K92.6Very high90.5Very high10 Ų1057.8 Ų57.84%0.04331%0.313CS..Hα-helixtrans-62.1-41.5173.4-70.9176.9-178.3-172.80111.6I23 F24 Q25 V30 A31 A38 L41 V43 N52I23-K27 WeakPolarHBondContact O-CG 3.45Å; I23-K27 PolarHBondContact O-N 3.37Å; F24-K27 WeakPolarHBondContact O-CA 3.39Å; F24-K27 WeakPolarHBondContact O-CB 3.45Å; F24-K27 PolarHBondContact O-N 3.38Å; F24-K27 VanDerWaalsContact O-N 3.1Å; Q25-K27 VanDerWaalsContact C-N 3.32Å; Q25-K27 PolarHBondContact O-N 3.09Å; K27-V30 PolarHBondContact O-N 2.89Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.23Å; K27-A38 HydrophobicContact CB-CB 4.48Å; K27-L41 HydrophobicContact CB-CB 4.4Å; K27-L41 HydrophobicContact CB-CD1 4.43Å; K27-L41 HydrophobicContact CD-CB 4.24Å; K27-L41 WeakPolarHBondContact CD-O 3.36Å; K27-L41 WeakPolarHBondContact CE-O 3.34Å; K27-L41 HydrophobicContact CG-CB 4.12Å; K27-L41 PolarHBondContact NZ-O 2.9Å; K27-L41 WeakPolarHBondContact O-CD1 3.48Å; K27-V43 HydrophobicContact CD-CG2 4.3Å; K27-V43 HydrophobicContact CG-CG2 3.65Å; K27-N52 VanDerWaalsContact CE-OD1 3.31Å; K27-N52 WeakPolarHBondContact CE-OD1 3.33Å; K27-N52 PolarHBondContact NZ-OD1 3.49Å
28E92.8Very high90.5Very high74 Ų7458.4 Ų58.435%0.34632%0.319SS..Hα-helixtrans-63.5-40.9178.5-70-171.4112.800112.8F24 Q25 V30 A31 K32 A38F24-E28 HydrophobicContact CD1-CG 4.19Å; F24-E28 VanDerWaalsContact CE1-CD 3.5Å; F24-E28 HydrophobicContact CE1-CG 3.84Å; F24-E28 HydrophobicContact CZ-CG 4.26Å; F24-E28 PolarHBondContact O-N 2.81Å; Q25-E28 WeakPolarHBondContact O-CB 3.46Å; Q25-E28 PolarHBondContact O-N 3.37Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 3.35Å; E28-A31 PolarHBondContact O-N 3.16Å; E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.34Å; E28-A38 HydrophobicContact CG-CB 4.4Å
29V92.3Very high90.4Very high76 Ų7659.3 Ų59.346%0.46132%0.323SS..Hα-helixtrans-60.2-45.7175.8172.50000110.4V15 Q25 L26 R33V15-V29 HydrophobicContact CG1-CG1 4.06Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.94Å; L26-V29 PolarHBondContact O-N 2.89Å; V29-R33 PolarHBondContact O-N 2.93Å; V29-R33 VanDerWaalsContact O-N 3.15Å
30V90.5Very high90.4Very high0 Ų058.3 Ų58.30%031%0.311CS..Hα-helixtrans-72.9-38-178.8174.70000111.3V5 F13 L26 K27 E28 K32 R33 Q34 L41 I69V5-V30 HydrophobicContact CG1-CG2 4.02Å; V5-V30 HydrophobicContact CG2-CG2 4.46Å; F13-V30 HydrophobicContact CE2-CG2 4.28Å; F13-V30 HydrophobicContact CZ-CG1 4.24Å; F13-V30 HydrophobicContact CZ-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.27Å; K27-V30 PolarHBondContact O-N 2.89Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 3.35Å; V30-K32 PolarHBondContact O-N 3.27Å; V30-R33 PolarHBondContact O-N 3.49Å; V30-Q34 HydrophobicContact CG1-CG 4.1Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 3.4Å; V30-Q34 PolarHBondContact O-N 3.34Å; V30-L41 HydrophobicContact CG1-CD1 4.37Å; V30-I69 HydrophobicContact CB-CD1 3.85Å; V30-I69 HydrophobicContact CG1-CD1 3.9Å; V30-I69 HydrophobicContact CG1-CG2 4.28Å; V30-I69 HydrophobicContact CG2-CD1 3.56Å
31A91Very high90.4Very high11 Ų1152.8 Ų52.89%0.09128%0.281CS..Hα-helixtrans-56.3-47.9173.700000111.6K27 E28 R33 Q34 G35 V36 A38 L41K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.23Å; E28-A31 PolarHBondContact O-N 3.16Å; A31-R33 PolarHBondContact O-N 3.46Å; A31-Q34 PolarHBondContact O-N 2.99Å; A31-G35 WeakPolarHBondContact O-CA 3.46Å; A31-G35 PolarHBondContact O-N 3.4Å; A31-V36 VanDerWaalsContact CA-O 3.32Å; A31-V36 WeakPolarHBondContact CA-O 3.37Å; A31-V36 WeakPolarHBondContact CB-O 3.24Å; A31-V36 PolarHBondContact O-N 3.4Å; A31-A38 HydrophobicContact CB-CB 3.87Å; A31-L41 HydrophobicContact CB-CD1 3.92Å
32K91.1Very high90.2Very high172 Ų17252.5 Ų52.575%0.74828%0.278SS*.Hα-helixtrans-63.1-40.1176.5-72.6172.8-175.9173.20112.1E28 V30E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.34Å; V30-K32 PolarHBondContact O-N 3.27Å
33R88.9Confident90.1Very high135 Ų13551.2 Ų51.251%0.50927%0.269SS..Hα-helixtrans-69.8-36.1-179.5-173172.5178.6170.1-1.7113V29 V30 A31V29-R33 PolarHBondContact O-N 2.93Å; V29-R33 VanDerWaalsContact O-N 3.15Å; V30-R33 PolarHBondContact O-N 3.49Å; A31-R33 PolarHBondContact O-N 3.46Å
34Q87Confident89.9Confident54 Ų5451.4 Ų51.425%0.25227%0.27SS..Hα-helixtrans-100-11-175-58.2-61.3-21.600113.7F7 V30 A31 V36F7-Q34 HydrophobicContact CD1-CB 4.46Å; F7-Q34 HydrophobicContact CD1-CG 3.77Å; F7-Q34 HydrophobicContact CE1-CB 4.09Å; F7-Q34 HydrophobicContact CE1-CG 3.91Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; V30-Q34 HydrophobicContact CG1-CG 4.1Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 3.4Å; V30-Q34 PolarHBondContact O-N 3.34Å; A31-Q34 PolarHBondContact O-N 2.99Å; Q34-V36 HydrophobicContact CB-CG2 4.25Å
35G87.6Confident89.6Confident70 Ų7048.6 Ų48.672%0.72226%0.257SS*.THydrogen-bonded Turntrans72.730.7-177.500000113.9A31A31-G35 WeakPolarHBondContact O-CA 3.46Å; A31-G35 PolarHBondContact O-N 3.4Å
36V87.7Confident88.9Confident21 Ų2146 Ų4613%0.12725%0.252CS..  trans-117142.5-176.1178.20000110.4F7 A31 Q34 A38 L41 Q71F7-V36 HydrophobicContact CZ-CG2 4.32Å; A31-V36 VanDerWaalsContact CA-O 3.32Å; A31-V36 WeakPolarHBondContact CA-O 3.37Å; A31-V36 WeakPolarHBondContact CB-O 3.24Å; A31-V36 PolarHBondContact O-N 3.4Å; Q34-V36 HydrophobicContact CB-CG2 4.25Å; V36-A38 PolarHBondContact O-N 2.91Å; V36-L41 HydrophobicContact CB-CD2 4.41Å; V36-L41 HydrophobicContact CG1-CD2 3.82Å; V36-L41 HydrophobicContact CG1-CG 4.49Å; V36-Q71 VanDerWaalsContact CG1-CD 3.47Å; V36-Q71 HydrophobicContact CG1-CG 3.87Å
37P90.1Very high88Confident62 Ų6246.7 Ų46.740%0.40326%0.259SS..  trans-61.7130.8176.4-24.235.9000113.1D39 Q40P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.31Å; P37-D39 PolarHBondContact O-N 3.19Å; P37-Q40 HydrophobicContact CB-CG 4.14Å; P37-Q40 WeakPolarHBondContact O-CB 3.49Å; P37-Q40 PolarHBondContact O-N 3.34Å; P37-Q40 VanDerWaalsContact O-N 3.07Å
38A90Very high87.4Confident19 Ų1953.3 Ų53.316%0.15729%0.288CS..G310 helixtrans-64.4-28.1-174.400000113.8K27 E28 A31 V36 Q40 L41K27-A38 HydrophobicContact CB-CB 4.48Å; E28-A38 HydrophobicContact CG-CB 4.4Å; A31-A38 HydrophobicContact CB-CB 3.87Å; V36-A38 PolarHBondContact O-N 2.91Å; A38-Q40 PolarHBondContact O-N 3.35Å; A38-L41 PolarHBondContact O-N 3.1Å; A38-L41 VanDerWaalsContact O-N 3.16Å
39D88.6Confident87.1Confident125 Ų12553.1 Ų53.167%0.66829%0.287SS*.G310 helixtrans-67.4-19.4175.765.6-49.2000113.1P37P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.31Å; P37-D39 PolarHBondContact O-N 3.19Å
40Q86.8Confident86.8Confident53 Ų5349.9 Ų49.925%0.24827%0.267CS..G310 helixtrans-90.7-6.9175.6-58.2-178.812.900112.9P37 A38 Q71 R72 P73P37-Q40 HydrophobicContact CB-CG 4.14Å; P37-Q40 WeakPolarHBondContact O-CB 3.49Å; P37-Q40 PolarHBondContact O-N 3.34Å; P37-Q40 VanDerWaalsContact O-N 3.07Å; A38-Q40 PolarHBondContact O-N 3.35Å; Q40-Q71 HydrophobicContact CB-CG 4.16Å; Q40-Q71 CarbonylContact O-C 3.42Å; Q40-Q71 WeakPolarHBondContact O-CA 3.43Å; Q40-R72 CarbonylContact O-C 3.53Å; Q40-R72 PolarHBondContact O-N 2.72Å; Q40-P73 HydrophobicContact CG-CB 4.38Å
41L89.4Confident86.7Confident2 Ų256.5 Ų56.51%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-91.5137.4-177.4-59.6-177.1000111.1F7 K27 V30 A31 V36 A38 I69 Q71F7-L41 HydrophobicContact CE2-CD2 3.93Å; K27-L41 HydrophobicContact CB-CB 4.4Å; K27-L41 HydrophobicContact CB-CD1 4.43Å; K27-L41 HydrophobicContact CD-CB 4.24Å; K27-L41 WeakPolarHBondContact CD-O 3.36Å; K27-L41 WeakPolarHBondContact CE-O 3.34Å; K27-L41 HydrophobicContact CG-CB 4.12Å; K27-L41 PolarHBondContact NZ-O 2.9Å; K27-L41 WeakPolarHBondContact O-CD1 3.48Å; V30-L41 HydrophobicContact CG1-CD1 4.37Å; A31-L41 HydrophobicContact CB-CD1 3.92Å; V36-L41 HydrophobicContact CB-CD2 4.41Å; V36-L41 HydrophobicContact CG1-CD2 3.82Å; V36-L41 HydrophobicContact CG1-CG 4.49Å; A38-L41 PolarHBondContact O-N 3.1Å; A38-L41 VanDerWaalsContact O-N 3.16Å; L41-I69 HydrophobicContact CB-CG2 3.96Å; L41-I69 HydrophobicContact CD1-CG2 4.18Å; L41-I69 HydrophobicContact CD2-CG2 3.9Å; L41-I69 HydrophobicContact CG-CG2 4.23Å; L41-Q71 HydrophobicContact CD2-CB 4.34Å
42R87.2Confident86.7Confident14 Ų1459.3 Ų59.35%0.05331%0.306CS..EExtended strand (participates in β ladder)trans-122.7128.9172.6-57.5-171.770.3-161.57.8109E49 I69 V70 W74R42-E49 IonicContact CZ-OE1 2.81Å; R42-E49 VanDerWaalsContact CZ-OE1 3.27Å; R42-E49 IonicContact CZ-OE2 3.73Å; R42-E49 VanDerWaalsContact NE-CD 3.33Å; R42-E49 IonicContact NE-OE1 2.68Å; R42-E49 PolarHBondContact NE-OE1 3Å; R42-E49 IonicContact NE-OE2 3.15Å; R42-E49 IonicContact NH2-OE1 2.98Å; R42-E49 PolarHBondContact NH2-OE1 3.48Å; R42-E49 VanDerWaalsContact NH2-OE1 3.14Å; R42-E49 IonicContact NH2-OE2 2.97Å; R42-E49 PolarHBondContact NH2-OE2 3.33Å; R42-I69 WeakPolarHBondContact O-CA 3.5Å; R42-V70 PolarHBondContact N-O 3.46Å; R42-V70 PolarHBondContact O-N 3.48Å; R42-W74 VanDerWaalsContact NH2-CZ3 3.34Å
43V90.1Very high86.6Confident0 Ų055.9 Ų55.90%030%0.296CS..EExtended strand (participates in β ladder)trans-96.5130.2178.3-172.80000108.5I23 L26 K27 E49 L50 V67 H68 I69I23-V43 HydrophobicContact CG2-CB 3.93Å; I23-V43 HydrophobicContact CG2-CG2 3.69Å; L26-V43 HydrophobicContact CD2-CG1 4.38Å; K27-V43 HydrophobicContact CD-CG2 4.3Å; K27-V43 HydrophobicContact CG-CG2 3.65Å; V43-E49 WeakPolarHBondContact O-CA 3.41Å; V43-E49 WeakPolarHBondContact O-CG 3.13Å; V43-L50 HydrophobicContact CB-CB 4.46Å; V43-L50 HydrophobicContact CG1-CD1 4.11Å; V43-L50 PolarHBondContact O-N 3.16Å; V43-V67 HydrophobicContact CG1-CB 4.13Å; V43-V67 HydrophobicContact CG1-CG2 4.48Å; V43-H68 CarbonylContact C-O 3.59Å; V43-H68 WeakPolarHBondContact CA-O 3.39Å; V43-I69 HydrophobicContact CG1-CG1 4.45Å; V43-I69 HydrophobicContact CG2-CD1 4.11Å; V43-I69 HydrophobicContact CG2-CG1 4.06Å
44I87.3Confident86.6Confident3 Ų354.1 Ų54.12%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-124.6129.2-179.7-54.8161.6000108.8K48 H68 V70 L266 T270I44-K48 CarbonylContact C-O 3.5Å; I44-K48 VanDerWaalsContact CA-O 3.31Å; I44-K48 WeakPolarHBondContact CA-O 3.28Å; I44-H68 HydrophobicContact CB-CB 4.26Å; I44-H68 PolarHBondContact N-O 3.1Å; I44-H68 PolarHBondContact O-N 3.26Å; I44-V70 HydrophobicContact CD1-CG2 3.83Å; I44-L266 HydrophobicContact CD1-CB 3.76Å; I44-L266 HydrophobicContact CD1-CD1 3.76Å; I44-L266 HydrophobicContact CD1-CD2 3.84Å; I44-L266 HydrophobicContact CD1-CG 3.95Å; I44-L266 HydrophobicContact CG1-CD1 4.04Å; I44-T270 HydrophobicContact CB-CG2 4.17Å; I44-T270 HydrophobicContact CD1-CG2 3.49Å; I44-T270 VanDerWaalsContact CD1-CG2 3.49Å; I44-T270 HydrophobicContact CG1-CG2 4.46Å; I44-T270 HydrophobicContact CG2-CG2 3.94Å
45F86.1Confident86.7Confident26 Ų2653.1 Ų53.111%0.11429%0.287CS..EExtended strand (participates in β ladder)trans-131.2133.2175.3178.3-120.5000109.7G47 K48 L50 L61 I66 V67F45-G47 PolarHBondContact O-N 3.31Å; F45-K48 PolarHBondContact N-O 3Å; F45-K48 PolarHBondContact O-N 3.08Å; F45-L50 HydrophobicContact CB-CD1 3.75Å; F45-L50 HydrophobicContact CB-CD2 4.15Å; F45-L50 HydrophobicContact CB-CG 4.01Å; F45-L61 HydrophobicContact CB-CD2 4.45Å; F45-L61 HydrophobicContact CD1-CD2 3.7Å; F45-L61 HydrophobicContact CD2-CD2 3.59Å; F45-L61 HydrophobicContact CE1-CD2 3.71Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.64Å; F45-L61 HydrophobicContact CZ-CD2 3.68Å; F45-I66 WeakPolarHBondContact CD2-O 3.43Å; F45-V67 HydrophobicContact CB-CG1 4.24Å; F45-V67 HydrophobicContact CD2-CG1 4Å; F45-V67 HydrophobicContact CG-CG1 4.39Å
46A78.8Confident86.7Confident37 Ų3750 Ų5031%0.30625%0.253SS..THydrogen-bonded Turntrans47.531.1-175.900000114.2Q389A46-Q389 HydrophobicContact CB-CB 4.27Å
47G73Confident86.4Confident17 Ų1755.4 Ų55.418%0.17528%0.277CS..THydrogen-bonded Turntrans86.9-7.2-178.100000117.3F45 Y391F45-G47 PolarHBondContact O-N 3.31Å; G47-Y391 WeakPolarHBondContact O-CE2 3.25Å
48K79.5Confident86.2Confident148 Ų14857.4 Ų57.464%0.64329%0.285SS*.EExtended strand (participates in β ladder)trans-102.9139.8179.1-64.4-179.7-178.8177.40110.1I44 F45I44-K48 CarbonylContact C-O 3.5Å; I44-K48 VanDerWaalsContact CA-O 3.31Å; I44-K48 WeakPolarHBondContact CA-O 3.28Å; F45-K48 PolarHBondContact N-O 3Å; F45-K48 PolarHBondContact O-N 3.08Å
49E85.1Confident85.7Confident71 Ų7157.1 Ų57.133%0.33228%0.281SS..EExtended strand (participates in β ladder)trans-72.2134.9171-175.8-167.5-152.400110R42 V43R42-E49 IonicContact CZ-OE1 2.81Å; R42-E49 VanDerWaalsContact CZ-OE1 3.27Å; R42-E49 IonicContact CZ-OE2 3.73Å; R42-E49 VanDerWaalsContact NE-CD 3.33Å; R42-E49 IonicContact NE-OE1 2.68Å; R42-E49 PolarHBondContact NE-OE1 3Å; R42-E49 IonicContact NE-OE2 3.15Å; R42-E49 IonicContact NH2-OE1 2.98Å; R42-E49 PolarHBondContact NH2-OE1 3.48Å; R42-E49 VanDerWaalsContact NH2-OE1 3.14Å; R42-E49 IonicContact NH2-OE2 2.97Å; R42-E49 PolarHBondContact NH2-OE2 3.33Å; V43-E49 WeakPolarHBondContact O-CA 3.41Å; V43-E49 WeakPolarHBondContact O-CG 3.13Å
50L87.7Confident85.3Confident7 Ų757.4 Ų57.44%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-91.3133172.3-54.6-177.3000110.5I23 V43 F45 W54 C59 L61I23-L50 HydrophobicContact CD1-CB 4.08Å; I23-L50 HydrophobicContact CD1-CD1 3.64Å; I23-L50 HydrophobicContact CG1-CB 3.95Å; I23-L50 HydrophobicContact CG1-CD1 4.39Å; I23-L50 HydrophobicContact CG2-CB 4.12Å; V43-L50 HydrophobicContact CB-CB 4.46Å; V43-L50 HydrophobicContact CG1-CD1 4.11Å; V43-L50 PolarHBondContact O-N 3.16Å; F45-L50 HydrophobicContact CB-CD1 3.75Å; F45-L50 HydrophobicContact CB-CD2 4.15Å; F45-L50 HydrophobicContact CB-CG 4.01Å; L50-W54 HydrophobicContact CD2-CE3 4.17Å; L50-W54 HydrophobicContact CD2-CZ3 4.18Å; L50-C59 HydrophobicContact CD1-CB 4.15Å; L50-C59 HydrophobicContact CD2-CB 4.3Å; L50-L61 HydrophobicContact CD1-CD1 4.47Å
51R88.5Confident85Confident139 Ų13955.3 Ų55.353%0.52527%0.273SS..PPolyproline II helixtrans-79.2150.5-179.1-62172.347.1159.3-6111.5I23 D53 W54I23-R51 VanDerWaalsContact CB-O 3.3Å; I23-R51 WeakPolarHBondContact CB-O 3.1Å; R51-D53 WeakPolarHBondContact CB-OD1 3.07Å; R51-D53 IonicContact CZ-OD1 2.57Å; R51-D53 IonicContact CZ-OD2 3.1Å; R51-D53 IonicContact NE-OD1 2.84Å; R51-D53 PolarHBondContact NE-OD1 3.17Å; R51-D53 IonicContact NE-OD2 3.2Å; R51-D53 IonicContact NH2-OD1 3.5Å; R51-D53 PolarHBondContact NH2-OD1 3.09Å; R51-D53 IonicContact NH2-OD2 3.9Å; R51-D53 PolarHBondContact NH2-OD2 2.9Å; R51-D53 PolarHBondContact O-N 2.91Å; R51-W54 HydrophobicContact CB-CD2 4.26Å; R51-W54 HydrophobicContact CB-CG 4.22Å; R51-W54 HydrophobicContact CG-CZ2 4.5Å; R51-W54 PolarHBondContact O-N 3.02Å; R51-W54 VanDerWaalsContact O-N 3.14Å
52N89.6Confident84.7Confident71 Ų7160.4 Ų60.438%0.3830%0.301SS..THydrogen-bonded Turntrans-59.3-31.3-178.3-73.8-5.5000113.6F24 K27 W54F24-N52 HydrophobicContact CB-CB 4.16Å; F24-N52 HydrophobicContact CD2-CB 4.46Å; F24-N52 PolarHBondContact N-O 3.29Å; K27-N52 VanDerWaalsContact CE-OD1 3.31Å; K27-N52 WeakPolarHBondContact CE-OD1 3.33Å; K27-N52 PolarHBondContact NZ-OD1 3.49Å; N52-W54 VanDerWaalsContact C-N 3.32Å
53D89Confident84.5Confident99 Ų9964.4 Ų64.453%0.52932%0.32SS..THydrogen-bonded Turntrans-80.7-8-178.254.9-50.7000113.9R51R51-D53 WeakPolarHBondContact CB-OD1 3.07Å; R51-D53 IonicContact CZ-OD1 2.57Å; R51-D53 IonicContact CZ-OD2 3.1Å; R51-D53 IonicContact NE-OD1 2.84Å; R51-D53 PolarHBondContact NE-OD1 3.17Å; R51-D53 IonicContact NE-OD2 3.2Å; R51-D53 IonicContact NH2-OD1 3.5Å; R51-D53 PolarHBondContact NH2-OD1 3.09Å; R51-D53 IonicContact NH2-OD2 3.9Å; R51-D53 PolarHBondContact NH2-OD2 2.9Å; R51-D53 PolarHBondContact O-N 2.91Å
54W88.8Confident84.1Confident99 Ų9968.8 Ų68.838%0.37534%0.34SS..  trans-83.4145.1177.7-66.31000111S22 I23 L50 R51 N52S22-W54 WeakPolarHBondContact CA-O 3.32Å; I23-W54 HydrophobicContact CG1-CB 4.3Å; I23-W54 WeakPolarHBondContact CG1-O 3.13Å; I23-W54 PolarHBondContact N-O 3.46Å; L50-W54 HydrophobicContact CD2-CE3 4.17Å; L50-W54 HydrophobicContact CD2-CZ3 4.18Å; R51-W54 HydrophobicContact CB-CD2 4.26Å; R51-W54 HydrophobicContact CB-CG 4.22Å; R51-W54 HydrophobicContact CG-CZ2 4.5Å; R51-W54 PolarHBondContact O-N 3.02Å; R51-W54 VanDerWaalsContact O-N 3.14Å; N52-W54 VanDerWaalsContact C-N 3.32Å
55T90.1Very high84Confident33 Ų3369.5 Ų69.520%0.20235%0.346CS..BIsolated β-bridgetrans-91.7160.817058.90000110T21 Q57 N58 C59T21-T55 CarbonylContact O-C 3.59Å; T21-T55 WeakPolarHBondContact O-CA 3.36Å; T55-Q57 PolarHBondContact O-N 2.84Å; T55-N58 PolarHBondContact O-N 3.46Å; T55-N58 PolarHBondContact OG1-N 2.92Å; T55-N58 PolarHBondContact OG1-ND2 3.48Å; T55-N58 PolarHBondContact OG1-OD1 3.21Å; T55-C59 PolarHBondContact O-N 2.84Å; T55-C59 PolarHBondContact O-SG 3.48Å
56V86.3Confident84.1Confident3 Ų369.8 Ų69.82%0.01835%0.348CS..THydrogen-bonded Turntrans-51.8-43173167.80000111.2M1 V17 T21 N58 C59 L61M1-V56 HydrophobicContact CE-CG1 3.23Å; M1-V56 HydrophobicContact SD-CG1 4.36Å; V17-V56 HydrophobicContact CB-CG2 4.17Å; V17-V56 HydrophobicContact CG2-CG1 4.29Å; V17-V56 HydrophobicContact CG2-CG2 4.07Å; T21-V56 WeakPolarHBondContact O-CG2 3.12Å; T21-V56 PolarHBondContact O-N 3.15Å; V56-N58 VanDerWaalsContact C-N 3.35Å; V56-N58 PolarHBondContact O-N 3.15Å; V56-C59 PolarHBondContact O-N 3.44Å; V56-C59 VanDerWaalsContact O-N 3.15Å; V56-L61 HydrophobicContact CG1-CB 4.01Å; V56-L61 HydrophobicContact CG1-CD1 4.29Å; V56-L61 HydrophobicContact CG2-CD1 4.37Å
57Q83.2Confident84.6Confident135 Ų13568 Ų6863%0.63133%0.333SS*.G310 helixtrans-61.2-39.1176.1-174.7177.21.100113.2S19 T55 C59S19-Q57 WeakPolarHBondContact O-CB 3.23Å; S19-Q57 PolarHBondContact O-N 2.95Å; S19-Q57 VanDerWaalsContact O-N 3.07Å; T55-Q57 PolarHBondContact O-N 2.84Å; Q57-C59 PolarHBondContact O-N 3.21Å
58N85.3Confident85.3Confident105 Ų10567.8 Ų67.856%0.56133%0.328SS*.G310 helixtrans-73.1-15.8178.8-68.6-10.2000113.1T55 V56T55-N58 PolarHBondContact O-N 3.46Å; T55-N58 PolarHBondContact OG1-N 2.92Å; T55-N58 PolarHBondContact OG1-ND2 3.48Å; T55-N58 PolarHBondContact OG1-OD1 3.21Å; V56-N58 VanDerWaalsContact C-N 3.35Å; V56-N58 PolarHBondContact O-N 3.15Å
59C79.1Confident85.8Confident12 Ų1260.8 Ų60.88%0.08130%0.297CS..G310 helixtrans-941.8-178-61.30000113.2L50 T55 V56 Q57 L61L50-C59 HydrophobicContact CD1-CB 4.15Å; L50-C59 HydrophobicContact CD2-CB 4.3Å; T55-C59 PolarHBondContact O-N 2.84Å; T55-C59 PolarHBondContact O-SG 3.48Å; V56-C59 PolarHBondContact O-N 3.44Å; V56-C59 VanDerWaalsContact O-N 3.15Å; Q57-C59 PolarHBondContact O-N 3.21Å; C59-L61 HydrophobicContact CB-CD1 4.11Å; C59-L61 HydrophobicContact CB-CG 3.92Å; C59-L61 PolarHBondContact O-N 3.19Å
60D80.7Confident85.9Confident131 Ų13157.4 Ų57.470%0.70128%0.281SS*.THydrogen-bonded Turntrans49.341-173.1-62.1-33.6000112.3
61L81Confident85.8Confident10 Ų1060 Ų605%0.05229%0.294CS..PPolyproline II helixtrans-81.8122.4174.5-71.3172.1000109.4M1 F45 L50 V56 C59 V67M1-L61 HydrophobicContact CE-CB 3.84Å; M1-L61 WeakPolarHBondContact CE-O 3.26Å; F45-L61 HydrophobicContact CB-CD2 4.45Å; F45-L61 HydrophobicContact CD1-CD2 3.7Å; F45-L61 HydrophobicContact CD2-CD2 3.59Å; F45-L61 HydrophobicContact CE1-CD2 3.71Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.64Å; F45-L61 HydrophobicContact CZ-CD2 3.68Å; L50-L61 HydrophobicContact CD1-CD1 4.47Å; V56-L61 HydrophobicContact CG1-CB 4.01Å; V56-L61 HydrophobicContact CG1-CD1 4.29Å; V56-L61 HydrophobicContact CG2-CD1 4.37Å; C59-L61 HydrophobicContact CB-CD1 4.11Å; C59-L61 HydrophobicContact CB-CG 3.92Å; C59-L61 PolarHBondContact O-N 3.19Å; L61-V67 HydrophobicContact CD1-CG1 4.35Å; L61-V67 HydrophobicContact CD2-CG1 3.74Å
62D82.3Confident85.3Confident109 Ų10955.7 Ų55.758%0.58328%0.277SS*.PPolyproline II helixtrans-97.4169.3175.1-67.3-46.1000112.2M1 Q64 S65M1-D62 VanDerWaalsContact SD-C 3.6Å; D62-Q64 PolarHBondContact O-N 3.08Å; D62-S65 PolarHBondContact N-OG 3.44Å; D62-S65 WeakPolarHBondContact O-CB 3.39Å; D62-S65 PolarHBondContact O-N 2.88Å; D62-S65 PolarHBondContact O-OG 2.93Å
63Q82.4Confident84.4Confident97 Ų9755 Ų5545%0.45328%0.277SS..THydrogen-bonded Turntrans-54.2131.7171.6-173.666.217.700110.6M1 S65M1-Q63 VanDerWaalsContact CA-OE1 3.24Å; M1-Q63 HydrophobicContact CG-CB 4.37Å; Q63-S65 VanDerWaalsContact C-N 3.28Å; Q63-S65 PolarHBondContact O-N 2.88Å
64Q81.5Confident83.1Confident93 Ų9356.4 Ų56.444%0.43528%0.275SS..THydrogen-bonded Turntrans67.517.4-175.5-58.1175.3-20.500115.2I2 F4 D62I2-Q64 PolarHBondContact O-N 2.62Å; F4-Q64 HydrophobicContact CD2-CB 4.31Å; F4-Q64 HydrophobicContact CE2-CB 3.85Å; F4-Q64 HydrophobicContact CE2-CG 3.91Å; D62-Q64 PolarHBondContact O-N 3.08Å
65S86.2Confident81.8Confident18 Ų1859.4 Ų59.413%0.12629%0.286CS..  trans-63.2142.3170-66.10000111.9V3 F4 D62 Q63V3-S65 CarbonylContact C-O 3.58Å; V3-S65 WeakPolarHBondContact CA-O 3.25Å; F4-S65 PolarHBondContact N-O 3.36Å; D62-S65 PolarHBondContact N-OG 3.44Å; D62-S65 WeakPolarHBondContact O-CB 3.39Å; D62-S65 PolarHBondContact O-N 2.88Å; D62-S65 PolarHBondContact O-OG 2.93Å; Q63-S65 VanDerWaalsContact C-N 3.28Å; Q63-S65 PolarHBondContact O-N 2.88Å
66I87.5Confident80Confident32 Ų3265.1 Ų65.116%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-103.1122.3179.1-54.3177.2000109.7F4 R6 F45 T386F4-I66 HydrophobicContact CB-CG1 4.18Å; F4-I66 CarbonylContact O-C 3.53Å; F4-I66 WeakPolarHBondContact O-CA 3.38Å; R6-I66 HydrophobicContact CG-CG2 4Å; F45-I66 WeakPolarHBondContact CD2-O 3.43Å; I66-T386 HydrophobicContact CD1-CG2 3.31Å
67V90.7Very high77.8Confident0 Ų068.1 Ų68.10%034%0.34CS..EExtended strand (participates in β ladder)trans-115.4143.4174.6-590000110F4 V5 R6 L26 V43 F45 L61F4-V67 PolarHBondContact O-N 3.21Å; V5-V67 WeakPolarHBondContact CA-O 3.26Å; V5-V67 HydrophobicContact CB-CG2 4.38Å; V5-V67 HydrophobicContact CG2-CG2 3.75Å; R6-V67 PolarHBondContact N-O 3.17Å; L26-V67 HydrophobicContact CD2-CG2 4.38Å; V43-V67 HydrophobicContact CG1-CB 4.13Å; V43-V67 HydrophobicContact CG1-CG2 4.48Å; F45-V67 HydrophobicContact CB-CG1 4.24Å; F45-V67 HydrophobicContact CD2-CG1 4Å; F45-V67 HydrophobicContact CG-CG1 4.39Å; L61-V67 HydrophobicContact CD1-CG1 4.35Å; L61-V67 HydrophobicContact CD2-CG1 3.74Å
68H87.7Confident75.9Confident12 Ų1266.8 Ų66.86%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-99.9137.3174.2-58.7-88.1000110.2R6 V43 I44 T270 D274R6-H68 WeakPolarHBondContact O-CA 3.37Å; V43-H68 CarbonylContact C-O 3.59Å; V43-H68 WeakPolarHBondContact CA-O 3.39Å; I44-H68 HydrophobicContact CB-CB 4.26Å; I44-H68 PolarHBondContact N-O 3.1Å; I44-H68 PolarHBondContact O-N 3.26Å; H68-T270 HydrophobicContact CB-CG2 3.99Å; H68-D274 IonicContact CE1-OD1 2.94Å; H68-D274 PolarHBondContact CE1-OD1 3.41Å; H68-D274 IonicContact CE1-OD2 3.79Å; H68-D274 IonicContact NE2-OD1 2.72Å; H68-D274 PolarHBondContact NE2-OD1 3.18Å; H68-D274 IonicContact NE2-OD2 3.51Å; H68-D274 PolarHBondContact NE2-OD2 3.39Å
69I90Very high73.3Confident0 Ų068.6 Ų68.60%034%0.339CS..EExtended strand (participates in β ladder)trans-115.3124.5169.3-62.5-172.9000108.5V5 R6 F7 V30 L41 R42 V43V5-I69 HydrophobicContact CG1-CB 4.22Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.75Å; R6-I69 PolarHBondContact O-N 3.01Å; F7-I69 HydrophobicContact CD2-CB 4.06Å; F7-I69 HydrophobicContact CD2-CG2 3.84Å; F7-I69 VanDerWaalsContact CD2-O 3.26Å; F7-I69 WeakPolarHBondContact CD2-O 3.26Å; F7-I69 HydrophobicContact CE2-CG2 4.32Å; V30-I69 HydrophobicContact CB-CD1 3.85Å; V30-I69 HydrophobicContact CG1-CD1 3.9Å; V30-I69 HydrophobicContact CG1-CG2 4.28Å; V30-I69 HydrophobicContact CG2-CD1 3.56Å; L41-I69 HydrophobicContact CB-CG2 3.96Å; L41-I69 HydrophobicContact CD1-CG2 4.18Å; L41-I69 HydrophobicContact CD2-CG2 3.9Å; L41-I69 HydrophobicContact CG-CG2 4.23Å; R42-I69 WeakPolarHBondContact O-CA 3.5Å; V43-I69 HydrophobicContact CG1-CG1 4.45Å; V43-I69 HydrophobicContact CG2-CD1 4.11Å; V43-I69 HydrophobicContact CG2-CG1 4.06Å
70V86.4Confident71Confident0 Ų075.4 Ų75.40%037%0.371CS..EExtended strand (participates in β ladder)trans-119.6130.9-178.6-177.60000108.7R42 I44 R72 L266 V269R42-V70 PolarHBondContact N-O 3.46Å; R42-V70 PolarHBondContact O-N 3.48Å; I44-V70 HydrophobicContact CD1-CG2 3.83Å; V70-R72 PolarHBondContact O-N 3.35Å; V70-L266 HydrophobicContact CB-CD2 4.16Å; V70-L266 HydrophobicContact CG1-CD2 4.12Å; V70-V269 HydrophobicContact CB-CG1 4.35Å; V70-V269 HydrophobicContact CG1-CB 4.12Å; V70-V269 HydrophobicContact CG1-CG1 3.91Å; V70-V269 HydrophobicContact CG1-CG2 4.2Å; V70-V269 HydrophobicContact CG2-CB 4.06Å; V70-V269 HydrophobicContact CG2-CG1 3.58Å
71Q86.1Confident68.4Low63 Ų6377.4 Ų77.429%0.29438%0.382SS..EExtended strand (participates in β ladder)trans-80.5108.2172.1-173.2-179.21.800109.4F7 V36 Q40 L41F7-Q71 HydrophobicContact CE2-CB 4.32Å; V36-Q71 VanDerWaalsContact CG1-CD 3.47Å; V36-Q71 HydrophobicContact CG1-CG 3.87Å; Q40-Q71 HydrophobicContact CB-CG 4.16Å; Q40-Q71 CarbonylContact O-C 3.42Å; Q40-Q71 WeakPolarHBondContact O-CA 3.43Å; L41-Q71 HydrophobicContact CD2-CB 4.34Å
72R77.6Confident65.9Low47 Ų4780.6 Ų80.618%0.17741%0.41CS..  trans-155.4116.7169.5-175.6167.2171.7140.7-4.6109.7Q40 V70 W74 L261 D262 H265Q40-R72 CarbonylContact O-C 3.53Å; Q40-R72 PolarHBondContact O-N 2.72Å; V70-R72 PolarHBondContact O-N 3.35Å; R72-W74 PolarHBondContact O-N 3.4Å; R72-L261 PolarHBondContact NH1-O 3.38Å; R72-L261 PolarHBondContact NH2-O 2.99Å; R72-D262 IonicContact CZ-OD1 3.49Å; R72-D262 IonicContact NE-OD1 3.24Å; R72-D262 PolarHBondContact NE-OD1 3.5Å; R72-D262 IonicContact NH2-OD1 2.83Å; R72-D262 PolarHBondContact NH2-OD1 2.94Å; R72-H265 PolarHBondContact NH1-CD2 2.73Å
73P70.8Confident63.5Low58 Ų5882 Ų8238%0.37742%0.423SS..  trans-64.8131.7176.624.1-31.1000110.8Q40 R75Q40-P73 HydrophobicContact CG-CB 4.38Å; P73-R75 PolarHBondContact O-N 3.48Å
74W62.2Low60.9Low127 Ų12781.8 Ų81.848%0.48145%0.446SS..  trans-69.4125.4172.9-175.4-100.4000110R42 R72R42-W74 VanDerWaalsContact NH2-CZ3 3.34Å; R72-W74 PolarHBondContact O-N 3.4Å
75R61.3Low58.6Low163 Ų16380.5 Ų80.562%0.61546%0.458SS*.  trans-10993175.7-64.7-171.2-168.3-117.51.7110P73 G77P73-R75 PolarHBondContact O-N 3.48Å; R75-G77 PolarHBondContact O-N 2.68Å
76K52.2Low56Low152 Ų15287.9 Ų87.966%0.66150%0.496SS*.  trans-79.572.5167.1-157.6179.1-177.5-169.30109.4E79K76-E79 VanDerWaalsContact CE-CD 3.49Å; K76-E79 WeakPolarHBondContact CE-OE1 3.43Å; K76-E79 IonicContact NZ-OE1 2.87Å; K76-E79 PolarHBondContact NZ-OE1 3.21Å; K76-E79 IonicContact NZ-OE2 2.81Å
77G38.8Very low53.2Low67 Ų6793.6 Ų93.669%0.69153%0.527SS*.  trans-13213.3-171.700000115.5R75R75-G77 PolarHBondContact O-N 2.68Å
78Q44.3Very low50.6Low106 Ų10698.8 Ų98.850%0.49556%0.56SS.*  trans-142.739.5-177.5-87.4178.3-51.700111.7M80 R245 S246Q78-M80 PolarHBondContact O-N 2.83Å; Q78-R245 VanDerWaalsContact CB-NH1 3.3Å; Q78-S246 PolarHBondContact NE2-O 3.28Å; Q78-S246 PolarHBondContact OE1-O 3.43Å
79E30.7Very low48.1Very low144 Ų144108.6 Ų108.667%0.67360%0.597SS**  trans-74.1114.7157.1-79.6174.6174.300106.7K76 N81K76-E79 VanDerWaalsContact CE-CD 3.49Å; K76-E79 WeakPolarHBondContact CE-OE1 3.43Å; K76-E79 IonicContact NZ-OE1 2.87Å; K76-E79 PolarHBondContact NZ-OE1 3.21Å; K76-E79 IonicContact NZ-OE2 2.81Å; E79-N81 PolarHBondContact O-N 2.98Å
80M31.4Very low45.4Very low155 Ų155116 Ų11676%0.76464%0.637SS**  trans-58.7126.3173.1-163.2137111.300107.6Q78 A82Q78-M80 PolarHBondContact O-N 2.83Å; M80-A82 VanDerWaalsContact C-N 3.31Å; M80-A82 PolarHBondContact O-N 2.76Å
81N26.1Very low42.8Very low172 Ų172120.3 Ų120.392%0.9267%0.672SS**  trans-48.295.4170.9-73.7-24.3000109.6E79E79-N81 PolarHBondContact O-N 2.98Å
82A27.8Very low40.3Very low77 Ų77122.5 Ų122.564%0.63670%0.701SS**  trans-147.872.9179.700000107.4M80M80-A82 VanDerWaalsContact C-N 3.31Å; M80-A82 PolarHBondContact O-N 2.76Å
83T32.4Very low38.1Very low140 Ų140124 Ų12486%0.85973%0.731SS**  trans-176.997.2146.318.70000107.7G85T83-G85 PolarHBondContact O-N 3.45Å
84G27.2Very low36.2Very low91 Ų91125.1 Ų125.194%0.93875%0.753SS**  trans-63.6109.7148.400000106.4
85G32.4Very low34.6Very low67 Ų67124.5 Ų124.569%0.69177%0.767SS**  trans-116.2115.2169.100000107T83T83-G85 PolarHBondContact O-N 3.45Å
86D31.5Very low33.1Very low173 Ų173124.1 Ų124.193%0.92577%0.772SS**  trans-46.5134.3172.1-81.3-57000112.1
87D28.9Very low32.2Very low152 Ų152127.3 Ų127.381%0.81378%0.78SS**  trans-116.3115.7171.4-166.56.2000108.9
88P37.7Very low32.1Very low108 Ų108131.2 Ų131.270%0.70178%0.78SS**  trans-103.9103.2166.733-21.8000111.2
89R33.6Very low31.6Very low218 Ų218131.3 Ų131.382%0.82379%0.79SS**  trans59.4137.6131.6-65.7179.8178.1168.7-0.2120
90N33.3Very low31.5Very low157 Ų157131.2 Ų131.284%0.8479%0.79SS**  trans99.4134.1155.5-56.5-32.9000114.7
91A32.8Very low31.7Very low89 Ų89129.3 Ų129.374%0.73679%0.791SS**  cis-170.7151.8-600000108.6
92A32.8Very low31.9Very low109 Ų109128.4 Ų128.490%0.90179%0.786SS**  trans78124.9145.700000122.3
93G31.2Very low32.3Very low79 Ų79131.5 Ų131.581%0.81480%0.797SS**  trans110.393.2155.900000113.3
94G30.6Very low32.1Very low81 Ų81136.2 Ų136.284%0.83580%0.799SS**  80.1125.782.100000109.9
95C29.1Very low32.3Very low114 Ų114138.5 Ų138.577%0.7780%0.795SS**  cis-167.6151.424.4-128.80000108.6
96E31.2Very low32Very low155 Ų155142 Ų14272%0.72480%0.797SS**  trans65136.2146.1-60-169.4139.700119.7
97R33.2Very low32Very low219 Ų219141.9 Ų141.983%0.82680%0.796SS**  cis-165.5136.419.3-121.7166.9-166.6-168.41.4108.2
98E35.1Very low31.8Very low149 Ų149139.2 Ų139.270%0.69679%0.789SS**  trans-80.8173.4165-135.8-161.9160.800110.2
99P33.9Very low31.6Very low108 Ų108139 Ų13970%0.70179%0.79SS**  -156141.676.538-15.3000119.3
100Q30.3Very low31.6Very low143 Ų143134.4 Ų134.467%0.66879%0.792SS**  52126.9114.9-52.7171.4-4.300122.1
101S35.1Very low31.4Very low114 Ų114132.9 Ų132.980%0.79779%0.788SS**  171.5107.8115.631.90000110.1
102L29.7Very low31.3Very low153 Ų153136.3 Ų136.380%0.80179%0.793SS**  53.6115.587-60.5178.1000113.5
103T35.9Very low31.4Very low143 Ų143136.9 Ų136.988%0.87779%0.787SS**  -176151.180.628.20000113.2
104R28Very low31.5Very low239 Ų239136.5 Ų136.590%0.90278%0.784SS**  trans-75153.5177.4-69.3172.1155.6143.4-5.9113.4
105V32.3Very low31.5Very low139 Ų139140.3 Ų140.384%0.84279%0.785SS**  -151.2135.4128.7-175.20000110
106D26.2Very low31.7Very low140 Ų140140.5 Ų140.575%0.74979%0.788SS**  trans-112.4132.8179.6-176.212.5000108
107L30.4Very low31.8Very low170 Ų170140 Ų14089%0.8980%0.795SS**  trans-150.2107.8165.8-75.6-177.6000110.6
108S26.7Very low31.5Very low96 Ų96132.7 Ų132.767%0.67179%0.787SS**  trans-80.1165.117252.40000112.6
109S31.9Very low31.4Very low104 Ų104133.7 Ų133.773%0.72780%0.796SS**  trans92.5109.4155.5-31.10000116.5
110S33.3Very low31.1Very low122 Ų122133.1 Ų133.185%0.85380%0.801SS**  178.4144.1100.9-72.20000112.3
111V30.6Very low31.3Very low125 Ų125131.7 Ų131.776%0.75880%0.802SS**  trans-95.9146.3-169.9-173.80000109.2
112L30.7Very low31.1Very low160 Ų160132.7 Ų132.784%0.83880%0.797SS**  155154.6122.6-80.1177000113.4
113P35.1Very low31.3Very low121 Ų121132 Ų13279%0.78679%0.793SS**  trans-108.1172.5-149.541.4-32.2000112.9
114G32.4Very low31Very low72 Ų72132.9 Ų132.974%0.74279%0.787SS**  trans-172.4125.5170.400000112.1
115D29.7Very low31Very low160 Ų160128.1 Ų128.186%0.85678%0.784SS**  trans-60146.7-174.4-59-62.8000114.5
116S33.6Very low30.9Very low119 Ų119128.5 Ų128.583%0.83278%0.782SS**  trans-174.4107.3135.3-84.60000113
117V34.7Very low31Very low145 Ų145127.8 Ų127.888%0.87979%0.788SS**  trans16.9109.2134.7-164.90000118
118G26.7Very low31Very low65 Ų65129.9 Ų129.967%0.6778%0.784SS**  trans48.997.7134.200000119
119L31.7Very low31Very low169 Ų169135.3 Ų135.389%0.88580%0.795SS**  trans-163.2137.7148-104.1149.5000110.2
120A28.4Very low30.9Very low96 Ų96137.5 Ų137.579%0.79380%0.799SS**  trans-62.9129.2179.300000110.8I122A120-I122 PolarHBondContact O-N 3.17Å
121V33.9Very low30.6Very low114 Ų114136.9 Ų136.969%0.69180%0.795SS**  trans-94.3104.1-178.6-170.20000110.2L123V121-L123 HydrophobicContact CG1-CD2 3.42Å; V121-L123 VanDerWaalsContact CG1-CD2 3.42Å; V121-L123 HydrophobicContact CG1-CG 3.61Å; V121-L123 PolarHBondContact O-N 3.47Å
122I31.1Very low30.8Very low134 Ų134136.7 Ų136.769%0.68780%0.796SS**  trans-67.4101.6153.5-60.5171.4000106.1A120 H124A120-I122 PolarHBondContact O-N 3.17Å; I122-H124 PolarHBondContact O-N 2.99Å
123L34.9Very low30.9Very low138 Ų138134.9 Ų134.972%0.72379%0.794SS**  trans-82.4102.7171.3-73.8175.4000109.1V121V121-L123 HydrophobicContact CG1-CD2 3.42Å; V121-L123 VanDerWaalsContact CG1-CD2 3.42Å; V121-L123 HydrophobicContact CG1-CG 3.61Å; V121-L123 PolarHBondContact O-N 3.47Å
124H29.9Very low30.5Very low162 Ų162134.4 Ų134.475%0.7580%0.8SS**  trans-53.6135.5166.6-83.1-71.2000111.2I122 D126I122-H124 PolarHBondContact O-N 2.99Å; H124-D126 PolarHBondContact O-N 3.44Å; H124-D126 VanDerWaalsContact O-N 3.1Å
125T27Very low30.2Very low139 Ų139134.6 Ų134.685%0.85380%0.802SS**  trans-7686.3172.946.80000110.1
126D29.3Very low30Very low147 Ų147132.1 Ų132.179%0.78680%0.797SS**  trans-89.2115163.1-94.8-28.6000110.1H124 R128H124-D126 PolarHBondContact O-N 3.44Å; H124-D126 VanDerWaalsContact O-N 3.1Å; D126-R128 PolarHBondContact O-N 2.77Å
127S28.7Very low29.7Very low126 Ų126131.2 Ų131.288%0.88179%0.789SS**  trans-62.993.3170-77.30000110
128R29.9Very low29.3Very low214 Ų214129.6 Ų129.681%0.80879%0.79SS**  trans-133.2133.8159.9-69.9-169179.3-171.11.2110D126 D130D126-R128 PolarHBondContact O-N 2.77Å; R128-D130 PolarHBondContact O-N 3.48Å
129K26.7Very low29.4Very low209 Ų209130.2 Ų130.291%0.90980%0.797SS**  trans-62.795.9-177.8-71.2171.9172.8177.20109.5
130D29.6Very low29.9Very low151 Ų151131 Ų13181%0.80779%0.788SS**  trans-109112.6172.8-72.9-33.9000110.9R128R128-D130 PolarHBondContact O-N 3.48Å
131S28Very low30.9Very low108 Ų108131.6 Ų131.676%0.75579%0.787SS**PPolyproline II helixtrans-51143.8171.4-41.80000111.4
132P35Very low32.1Very low121 Ų121132.3 Ų132.379%0.78679%0.785SS**PPolyproline II helixtrans-66.1140.2-178.928.3-32.9000110.5A134P132-A134 PolarHBondContact O-N 3.33Å
133P32.4Very low34.1Very low123 Ų123128.5 Ų128.580%0.79976%0.763SS**PPolyproline II helixtrans-68.4128.2176.927.5-30.7000109.8
134A26Very low36.3Very low110 Ų110123 Ų12391%0.90973%0.734SS**SBendtrans-63.3136.3170.300000110.4P132P132-A134 PolarHBondContact O-N 3.33Å
135G26.2Very low38.8Very low76 Ų76115.4 Ų115.478%0.78470%0.699SS**  trans115.959.4171.100000114.9
136S25.8Very low41.9Very low108 Ų108108.8 Ų108.876%0.75566%0.658SS**  trans-91.6124.8161.3-60.70000108.7A138S136-A138 PolarHBondContact O-N 3.19Å; S136-A138 VanDerWaalsContact O-N 3.1Å
137P28Very low45Very low101 Ų101102.8 Ų102.866%0.65663%0.625SS**  trans-62.2116.9174.723.5-29.6000109G139P137-G139 PolarHBondContact O-N 3Å; P137-G139 VanDerWaalsContact O-N 3.1Å
138A25.3Very low48.1Very low110 Ų11096.8 Ų96.891%0.90958%0.583SS**THydrogen-bonded Turntrans-55.2112.517200000109S136S136-A138 PolarHBondContact O-N 3.19Å; S136-A138 VanDerWaalsContact O-N 3.1Å
139G28.7Very low51.2Low79 Ų7987.1 Ų87.181%0.81455%0.546SS*.THydrogen-bonded Turntrans140.9-6.817100000117.9P137 S141P137-G139 PolarHBondContact O-N 3Å; P137-G139 VanDerWaalsContact O-N 3.1Å; G139-S141 PolarHBondContact O-N 3.44Å
140R42.3Very low54.4Low185 Ų18577.2 Ų77.270%0.69850%0.503SS*.  trans-82.3109.2175.6-78.8-177.7176.5-177.8-2.5111.1I142R140-I142 PolarHBondContact O-N 2.84Å
141S50.1Low57.3Low109 Ų10976 Ų7676%0.76249%0.491SS*.  trans-56.5121.2168.6-174.50000109.4G139 Y143G139-S141 PolarHBondContact O-N 3.44Å; S141-Y143 PolarHBondContact O-N 3.46Å
142I59.8Low60.1Low128 Ų12873 Ų7366%0.65648%0.477SS*.  trans-68.8102.9-178.2-56.4174000107.6R140 N144R140-I142 PolarHBondContact O-N 2.84Å; I142-N144 WeakPolarHBondContact CG2-ND2 3.4Å; I142-N144 PolarHBondContact O-N 3.42Å
143Y73.3Confident62.9Low55 Ų5572.1 Ų72.122%0.21647%0.472CS..  trans-79.8108.6177.6-175.8-88.9000109.5S141 S145 N448 H461 D464S141-Y143 PolarHBondContact O-N 3.46Å; Y143-S145 WeakPolarHBondContact CE1-OG 3.42Å; Y143-N448 WeakPolarHBondContact CD1-ND2 2.98Å; Y143-H461 HydrophobicContact CD1-CB 3.73Å; Y143-H461 AromaticContact CD1-CG 3.96Å; Y143-H461 HydrophobicContact CE1-CB 3.88Å; Y143-H461 PolarHBondContact O-ND1 2.89Å; Y143-D464 PolarHBondContact OH-OD1 2.97Å
144N80.8Confident65.7Low21 Ų2167.7 Ų67.711%0.11244%0.443CS..  trans-110.1124.3173.3-62.4-61.1000109.1I142 P159 T231 D460I142-N144 WeakPolarHBondContact CG2-ND2 3.4Å; I142-N144 PolarHBondContact O-N 3.42Å; N144-P159 HydrophobicContact CB-CB 4.04Å; N144-T231 PolarHBondContact O-OG1 2.87Å; N144-D460 WeakPolarHBondContact CA-O 3.4Å
145S81.3Confident68.8Low3 Ų367.3 Ų67.32%0.02142%0.423CS..  trans-80.4-29.4174.8-64.30000111.9Y143 D460 H461 F463Y143-S145 WeakPolarHBondContact CE1-OG 3.42Å; S145-D460 PolarHBondContact N-O 2.83Å; S145-H461 WeakPolarHBondContact OG-CA 3.35Å; S145-H461 VanDerWaalsContact OG-CB 3.24Å; S145-H461 WeakPolarHBondContact OG-CB 3.46Å; S145-F463 WeakPolarHBondContact CB-O 3.39Å; S145-F463 PolarHBondContact OG-O 3.02Å
146F91.7Very high71.9Confident0 Ų069.6 Ų69.60%041%0.408CS..  trans-112.2142.8-166.6-42.4-57.9000112P159 G160 L162 W183 F210 G459 W462 F463F146-P159 WeakPolarHBondContact O-CA 3.47Å; F146-G160 PolarHBondContact O-N 2.9Å; F146-L162 HydrophobicContact CD2-CB 3.97Å; F146-L162 HydrophobicContact CE2-CB 3.73Å; F146-L162 HydrophobicContact CE2-CD2 4.07Å; F146-L162 HydrophobicContact CZ-CB 4.43Å; F146-L162 HydrophobicContact CZ-CD2 3.96Å; F146-W183 HydrophobicContact CB-CH2 4.47Å; F146-W183 AromaticContact CD1-CH2 3.87Å; F146-W183 HydrophobicContact CD1-CH2 3.87Å; F146-W183 AromaticContact CD1-CZ2 4Å; F146-W183 HydrophobicContact CD1-CZ2 4Å; F146-F210 HydrophobicContact CB-CD1 4.2Å; F146-F210 HydrophobicContact CB-CE1 3.89Å; F146-F210 HydrophobicContact CD1-CE1 4.06Å; F146-F210 HydrophobicContact CD2-CE1 4.28Å; F146-F210 HydrophobicContact CG-CD1 4.47Å; F146-F210 AromaticContact CG-CE1 3.8Å; F146-F210 HydrophobicContact CG-CE1 3.8Å; F146-G459 WeakPolarHBondContact CD2-O 3.46Å; F146-G459 WeakPolarHBondContact CE2-O 3.44Å; F146-W462 HydrophobicContact CE2-CB 4.47Å; F146-W462 HydrophobicContact CZ-CB 4.26Å; F146-F463 HydrophobicContact CD1-CE1 4.48Å; F146-F463 HydrophobicContact CD1-CZ 4.26Å; F146-F463 AromaticContact CE1-CD1 3.84Å; F146-F463 HydrophobicContact CE1-CD1 3.84Å; F146-F463 HydrophobicContact CE1-CD2 4.26Å; F146-F463 AromaticContact CE1-CE1 3.39Å; F146-F463 HydrophobicContact CE1-CE1 3.39Å; F146-F463 AromaticContact CE1-CE2 3.87Å; F146-F463 HydrophobicContact CE1-CE2 3.87Å; F146-F463 HydrophobicContact CE1-CG 4.26Å; F146-F463 AromaticContact CE1-CZ 3.41Å; F146-F463 HydrophobicContact CE1-CZ 3.41Å; F146-F463 VanDerWaalsContact CE1-CZ 3.41Å; F146-F463 AromaticContact CZ-CD1 3.75Å; F146-F463 HydrophobicContact CZ-CD1 3.75Å; F146-F463 AromaticContact CZ-CE1 3.64Å; F146-F463 HydrophobicContact CZ-CE1 3.64Å; F146-F463 HydrophobicContact CZ-CG 4.33Å; F146-F463 HydrophobicContact CZ-CZ 4.15Å
147Y94.5Very high75.2Confident22 Ų2265.8 Ų65.89%0.08638%0.379CS..EExtended strand (participates in β ladder)trans-123.9143.4172-69.1-87.3000110.4V157 Q158 L226 I229 T231 P247Y147-V157 HydrophobicContact CD1-CG1 3.84Å; Y147-V157 HydrophobicContact CG-CG1 4.29Å; Y147-Q158 WeakPolarHBondContact CA-O 3.36Å; Y147-L226 PolarHBondContact O-N 3.45Å; Y147-I229 HydrophobicContact CD1-CG2 4.34Å; Y147-I229 HydrophobicContact CD2-CB 4.33Å; Y147-I229 HydrophobicContact CD2-CG2 3.61Å; Y147-I229 HydrophobicContact CE2-CG2 4.29Å; Y147-I229 HydrophobicContact CG-CB 4.38Å; Y147-I229 HydrophobicContact CG-CG2 3.64Å; Y147-T231 VanDerWaalsContact CE2-OG1 3.26Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.42Å; Y147-T231 PolarHBondContact OH-OG1 2.94Å; Y147-P247 HydrophobicContact CD1-CB 4.34Å; Y147-P247 HydrophobicContact CD1-CG 4.11Å; Y147-P247 HydrophobicContact CD2-CB 4.27Å; Y147-P247 HydrophobicContact CE1-CB 3.79Å; Y147-P247 HydrophobicContact CE1-CG 3.64Å; Y147-P247 HydrophobicContact CE2-CB 3.73Å; Y147-P247 HydrophobicContact CE2-CG 4.48Å; Y147-P247 VanDerWaalsContact CZ-CB 3.47Å
148V95Very high78.3Confident0 Ų062 Ų620%035%0.353CS..EExtended strand (participates in β ladder)trans-131.2155178.2-640000110.7V157 Q158 F210 V224V148-V157 WeakPolarHBondContact O-CA 3.4Å; V148-Q158 PolarHBondContact N-O 2.86Å; V148-Q158 PolarHBondContact O-N 3.09Å; V148-F210 HydrophobicContact CG1-CB 3.63Å; V148-F210 HydrophobicContact CG1-CD1 4.36Å; V148-F210 HydrophobicContact CG1-CG 4.31Å; V148-V224 VanDerWaalsContact CA-O 3.26Å; V148-V224 WeakPolarHBondContact CA-O 3.39Å; V148-V224 WeakPolarHBondContact CB-O 3.41Å
149Y94.3Very high81.5Confident10 Ų1058.5 Ų58.54%0.03932%0.321CS..EExtended strand (participates in β ladder)trans-90108.8164.3-174.2-99000109.8K151 V224 R305 I306Y149-K151 HydrophobicContact CD1-CG 4.07Å; Y149-K151 HydrophobicContact CE1-CG 4.09Å; Y149-K151 PolarHBondContact O-N 3.4Å; Y149-V224 PolarHBondContact N-O 2.76Å; Y149-R305 HydrophobicContact CD1-CB 3.85Å; Y149-R305 HydrophobicContact CD2-CB 4.11Å; Y149-R305 HydrophobicContact CE1-CB 3.98Å; Y149-R305 HydrophobicContact CE2-CB 4.25Å; Y149-R305 WeakPolarHBondContact CE2-O 3.2Å; Y149-R305 HydrophobicContact CG-CB 3.9Å; Y149-I306 HydrophobicContact CD2-CG2 4.42Å
150C93.3Very high84.5Confident1 Ų154.8 Ų54.81%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-84.2110.8174.7171.80000109.2G152 C154 Q155 R156 Q158 C212 H215C150-G152 VanDerWaalsContact C-N 3.27Å; C150-G152 PolarHBondContact O-N 3.43Å; C150-G152 VanDerWaalsContact SG-C 3.55Å; C150-G152 PolarHBondContact SG-O 3.48Å; C150-C154 HydrophobicContact CB-CB 3.84Å; C150-Q155 WeakPolarHBondContact O-CA 3.43Å; C150-Q155 PolarHBondContact O-N 3.19Å; C150-R156 PolarHBondContact N-O 3.46Å; C150-R156 PolarHBondContact O-N 2.86Å; C150-Q158 HydrophobicContact CB-CG 4.26Å; C150-C212 HydrophobicContact CB-CB 3.99Å; C150-H215 PolarHBondContact SG-NE2 3.11Å; C150-H215 VanDerWaalsContact SG-NE2 3.36Å
151K90.5Very high86.7Confident125 Ų12548.8 Ų48.854%0.54326%0.262SS..THydrogen-bonded Turntrans-65.3-29.2179.6-64.6-179.7-178.2176.80112.9Y149 Q155Y149-K151 HydrophobicContact CD1-CG 4.07Å; Y149-K151 HydrophobicContact CE1-CG 4.09Å; Y149-K151 PolarHBondContact O-N 3.4Å; K151-Q155 VanDerWaalsContact O-CG 3.32Å; K151-Q155 WeakPolarHBondContact O-CG 3.2Å
152G88.4Confident88.7Confident45 Ų4543.6 Ų43.646%0.46423%0.225SC..THydrogen-bonded Turntrans-172.1143.8177.800000110.6C150C150-G152 VanDerWaalsContact C-N 3.27Å; C150-G152 PolarHBondContact O-N 3.43Å; C150-G152 VanDerWaalsContact SG-C 3.55Å; C150-G152 PolarHBondContact SG-O 3.48Å
153P92Very high90.1Very high104 Ų10440.5 Ų40.568%0.67521%0.205SC*.THydrogen-bonded Turncis-82.2-3.52.633.4-36000114.7
154C91.7Very high90.9Very high29 Ų2938.9 Ų38.920%0.19620%0.201CC..THydrogen-bonded Turntrans-78.8-31.4-170.4-56.80000115.5C150 R156 Q158 H215C150-C154 HydrophobicContact CB-CB 3.84Å; C154-R156 HydrophobicContact CB-CG 4.22Å; C154-R156 VanDerWaalsContact O-CG 3.32Å; C154-R156 WeakPolarHBondContact O-CG 3.38Å; C154-R156 PolarHBondContact O-N 2.93Å; C154-Q158 HydrophobicContact CB-CG 3.86Å; C154-H215 VanDerWaalsContact SG-CD2 3.57Å
155Q91.3Very high91.4Very high103 Ų10339.4 Ų39.448%0.48120%0.203SC..  trans49.829.6-176.1-69.9-179.6-27.700114.9C150 K151 E309C150-Q155 WeakPolarHBondContact O-CA 3.43Å; C150-Q155 PolarHBondContact O-N 3.19Å; K151-Q155 VanDerWaalsContact O-CG 3.32Å; K151-Q155 WeakPolarHBondContact O-CG 3.2Å; Q155-E309 VanDerWaalsContact NE2-CD 3.32Å; Q155-E309 PolarHBondContact NE2-OE1 2.81Å; Q155-E309 PolarHBondContact NE2-OE2 2.95Å
156R91.8Very high91.8Very high124 Ų12439.2 Ų39.247%0.46820%0.202SC..EExtended strand (participates in β ladder)trans-155.9170.7-175.571.4-165.5178.3164.4-1.1111.4C150 C154 Q158C150-R156 PolarHBondContact N-O 3.46Å; C150-R156 PolarHBondContact O-N 2.86Å; C154-R156 HydrophobicContact CB-CG 4.22Å; C154-R156 VanDerWaalsContact O-CG 3.32Å; C154-R156 WeakPolarHBondContact O-CG 3.38Å; C154-R156 PolarHBondContact O-N 2.93Å; R156-Q158 VanDerWaalsContact CG-NE2 3.3Å; R156-Q158 PolarHBondContact O-N 3.33Å
157V94Very high91.8Very high27 Ų2741 Ų4116%0.16421%0.214CC..EExtended strand (participates in β ladder)trans-61.8131.1173-177.40000109.8Y147 V148 L226 I229 L261 I306Y147-V157 HydrophobicContact CD1-CG1 3.84Å; Y147-V157 HydrophobicContact CG-CG1 4.29Å; V148-V157 WeakPolarHBondContact O-CA 3.4Å; V157-L226 HydrophobicContact CG1-CD1 4.22Å; V157-L226 HydrophobicContact CG2-CD1 3.91Å; V157-I229 HydrophobicContact CG1-CD1 4.17Å; V157-I229 HydrophobicContact CG2-CD1 4.21Å; V157-L261 HydrophobicContact CB-CD1 4.42Å; V157-L261 HydrophobicContact CG1-CD1 4.4Å; V157-L261 HydrophobicContact CG2-CD1 4.29Å; V157-I306 HydrophobicContact CG2-CB 3.7Å; V157-I306 HydrophobicContact CG2-CG2 3.35Å
158Q93.9Very high91.7Very high23 Ų2343.9 Ų43.911%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-135.1157177.6-70.8-58.3-41.800110.3Y147 V148 C150 C154 R156 G160 A214Y147-Q158 WeakPolarHBondContact CA-O 3.36Å; V148-Q158 PolarHBondContact N-O 2.86Å; V148-Q158 PolarHBondContact O-N 3.09Å; C150-Q158 HydrophobicContact CB-CG 4.26Å; C154-Q158 HydrophobicContact CB-CG 3.86Å; R156-Q158 VanDerWaalsContact CG-NE2 3.3Å; R156-Q158 PolarHBondContact O-N 3.33Å; Q158-G160 PolarHBondContact O-N 2.83Å; Q158-A214 HydrophobicContact CB-CB 4.44Å; Q158-A214 HydrophobicContact CG-CB 4.12Å; Q158-A214 VanDerWaalsContact OE1-CB 3.29Å
159P93Very high91.5Very high35 Ų3545.9 Ų45.923%0.22725%0.248CC..EExtended strand (participates in β ladder)trans-53.4133.4164.5-24.735.4000110.8N144 F146 G213N144-P159 HydrophobicContact CB-CB 4.04Å; F146-P159 WeakPolarHBondContact O-CA 3.47Å; P159-G213 WeakPolarHBondContact O-CA 3.33Å; P159-G213 PolarHBondContact O-N 3.42Å
160G90.7Very high91.2Very high1 Ų154 Ų541%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-96.314717900000111.9F146 Q158 K211F146-G160 PolarHBondContact O-N 2.9Å; Q158-G160 PolarHBondContact O-N 2.83Å; G160-K211 CarbonylContact C-O 3.52Å; G160-K211 WeakPolarHBondContact CA-O 3.18Å
161K89.2Confident90.9Very high59 Ų5958.3 Ų58.326%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-107.2117169.4-73.5175179.31610109.4F210 K211 G213 G459K161-F210 WeakPolarHBondContact O-CA 3.47Å; K161-K211 PolarHBondContact N-O 3.41Å; K161-K211 PolarHBondContact O-N 3.02Å; K161-G213 PolarHBondContact NZ-O 2.84Å; K161-G213 VanDerWaalsContact NZ-O 3.12Å; K161-G459 WeakPolarHBondContact CA-O 3.38Å
162L91.2Very high90.6Very high0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-76.3136174.6179.159.3000110.8F146 P180 V186 F208 F210 G459 W462 F463F146-L162 HydrophobicContact CD2-CB 3.97Å; F146-L162 HydrophobicContact CE2-CB 3.73Å; F146-L162 HydrophobicContact CE2-CD2 4.07Å; F146-L162 HydrophobicContact CZ-CB 4.43Å; F146-L162 HydrophobicContact CZ-CD2 3.96Å; L162-P180 HydrophobicContact CD2-CG 4.28Å; L162-V186 HydrophobicContact CD1-CB 4.48Å; L162-V186 HydrophobicContact CD1-CG1 4.25Å; L162-V186 HydrophobicContact CD2-CG1 4.03Å; L162-F208 HydrophobicContact CD1-CB 4.1Å; L162-F208 HydrophobicContact CD1-CD1 3.88Å; L162-F208 HydrophobicContact CD1-CG 4.39Å; L162-F208 HydrophobicContact CG-CD1 4.41Å; L162-F210 HydrophobicContact CB-CD1 4.32Å; L162-F210 HydrophobicContact CB-CE1 4.06Å; L162-F210 HydrophobicContact CD1-CD1 4.29Å; L162-F210 HydrophobicContact CD1-CD2 4.34Å; L162-F210 HydrophobicContact CD1-CE1 3.83Å; L162-F210 HydrophobicContact CD1-CE2 3.88Å; L162-F210 HydrophobicContact CD1-CZ 3.62Å; L162-F210 HydrophobicContact CG-CE1 4.43Å; L162-G459 PolarHBondContact N-O 3.43Å; L162-W462 HydrophobicContact CD2-CB 3.91Å; L162-W462 HydrophobicContact CD2-CD2 4.33Å; L162-W462 HydrophobicContact CD2-CE3 3.69Å; L162-W462 HydrophobicContact CD2-CG 4.47Å; L162-W462 HydrophobicContact CG-CE3 3.91Å; L162-W462 HydrophobicContact CG-CZ3 4.47Å; L162-F463 HydrophobicContact CD2-CD1 4.4Å; L162-F463 HydrophobicContact CD2-CE1 4.05Å
163R90.1Very high90.5Very high63 Ų6356.4 Ų56.424%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-137.3159.7175.9-63.4-65.3179.1-104.27.5109.9F208 F209R163-F208 WeakPolarHBondContact O-CA 3.41Å; R163-F209 HydrophobicContact CB-CD1 4.11Å; R163-F209 HydrophobicContact CB-CD2 3.99Å; R163-F209 HydrophobicContact CB-CE1 3.64Å; R163-F209 HydrophobicContact CB-CE2 3.53Å; R163-F209 HydrophobicContact CB-CG 4.28Å; R163-F209 HydrophobicContact CB-CZ 3.34Å; R163-F209 HydrophobicContact CG-CE2 3.95Å; R163-F209 HydrophobicContact CG-CZ 4.07Å; R163-F209 PolarHBondContact N-O 3.1Å; R163-F209 PolarHBondContact O-N 2.85Å
164V90.7Very high90.2Very high22 Ų2252 Ų5213%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-130.8142.9178.2650000109.8L174 L176 A206 E207 F208 W462V164-L174 HydrophobicContact CG2-CD2 4.43Å; V164-L176 HydrophobicContact CG1-CD1 4.41Å; V164-L176 HydrophobicContact CG2-CD1 4.34Å; V164-L176 HydrophobicContact CG2-CD2 4.28Å; V164-L176 HydrophobicContact CG2-CG 4.42Å; V164-A206 HydrophobicContact CG2-CB 3.95Å; V164-E207 WeakPolarHBondContact CA-O 3Å; V164-F208 HydrophobicContact CB-CD1 3.87Å; V164-F208 HydrophobicContact CB-CE1 3.79Å; V164-F208 HydrophobicContact CG2-CD1 4.04Å; V164-F208 HydrophobicContact CG2-CE1 3.79Å; V164-F208 HydrophobicContact CG2-CZ 4.11Å; V164-W462 HydrophobicContact CB-CH2 4.4Å; V164-W462 HydrophobicContact CB-CZ3 4.38Å; V164-W462 HydrophobicContact CG1-CH2 3.81Å; V164-W462 HydrophobicContact CG1-CZ3 4.13Å
165Q90.3Very high90Very high31 Ų3154.6 Ų54.615%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-139.4166171.464.2-171.722.300110.8Q171 E207 F209Q165-Q171 WeakPolarHBondContact CA-O 3.5Å; Q165-Q171 WeakPolarHBondContact CB-O 3.48Å; Q165-E207 HydrophobicContact CG-CB 4.06Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 3.41Å; Q165-E207 PolarHBondContact NE2-OE2 3.49Å; Q165-E207 PolarHBondContact O-N 3.21Å; Q165-F209 HydrophobicContact CB-CE1 4.03Å; Q165-F209 HydrophobicContact CG-CD1 4.05Å; Q165-F209 HydrophobicContact CG-CE1 3.85Å
166C89.7Confident89.9Confident0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-69.8128.1170.4178.60000110T168 C169 R170 Q171 L174 C196C166-T168 PolarHBondContact O-N 2.74Å; C166-T168 PolarHBondContact SG-N 3.34Å; C166-T168 VanDerWaalsContact SG-N 3.44Å; C166-C169 VanDerWaalsContact CB-SG 3.52Å; C166-R170 WeakPolarHBondContact O-CA 3.36Å; C166-R170 PolarHBondContact O-N 3.42Å; C166-Q171 PolarHBondContact N-O 3.31Å; C166-L174 HydrophobicContact CB-CB 4.07Å; C166-L174 HydrophobicContact CB-CD1 4.01Å; C166-C196 HydrophobicContact CB-CB 4.28Å
167S92.2Very high89.6Confident36 Ų3650.4 Ų50.425%0.25228%0.277SS..THydrogen-bonded Turntrans-63.5-26178.166.70000113.1S205S167-S205 PolarHBondContact N-O 3.19Å; S167-S205 VanDerWaalsContact N-O 3.08Å; S167-S205 WeakPolarHBondContact OG-CB 3.46Å; S167-S205 PolarHBondContact OG-O 3.03Å
168T92Very high89.3Confident84 Ų8455.1 Ų55.152%0.51530%0.297SS..THydrogen-bonded Turntrans-82.1-57.7-178-46.20000112.5C166 G203C166-T168 PolarHBondContact O-N 2.74Å; C166-T168 PolarHBondContact SG-N 3.34Å; C166-T168 VanDerWaalsContact SG-N 3.44Å; T168-G203 VanDerWaalsContact OG1-CA 3.28Å; T168-G203 WeakPolarHBondContact OG1-CA 3.48Å
169C90.6Very high89Confident42 Ų4254.8 Ų54.828%0.28430%0.3SS..THydrogen-bonded Turntrans-94.4-7.7-176.470.10000114.1C166 Q171C166-C169 VanDerWaalsContact CB-SG 3.52Å; C169-Q171 HydrophobicContact CB-CG 4.47Å; C169-Q171 PolarHBondContact O-N 2.88Å
170R89.4Confident89Confident180 Ų18053.1 Ų53.168%0.67929%0.289SS*.  trans55.827.7-177-59.8-176.7174.8177.9-1.1114.4C166C166-R170 WeakPolarHBondContact O-CA 3.36Å; C166-R170 PolarHBondContact O-N 3.42Å
171Q86.6Confident89Confident92 Ų9255 Ų5543%0.4330%0.302SS..SBendtrans-102.2148.6174-63.2177.8-19.600110.2Q165 C166 C169 T173 S198Q165-Q171 WeakPolarHBondContact CA-O 3.5Å; Q165-Q171 WeakPolarHBondContact CB-O 3.48Å; C166-Q171 PolarHBondContact N-O 3.31Å; C169-Q171 HydrophobicContact CB-CG 4.47Å; C169-Q171 PolarHBondContact O-N 2.88Å; Q171-T173 HydrophobicContact CB-CG2 4.01Å; Q171-T173 PolarHBondContact O-N 3.41Å; Q171-S198 VanDerWaalsContact OE1-CB 3.3Å; Q171-S198 PolarHBondContact OE1-OG 3.36Å
172A84.4Confident89Confident85 Ų8554.5 Ų54.570%0.70231%0.305SS*.SBendtrans-75.846174.600000112.3
173T85.5Confident89Confident44 Ų4456 Ų5627%0.2731%0.311SS..  trans-115.39-175.353.20000112.3Q171 C196 Q197Q171-T173 HydrophobicContact CB-CG2 4.01Å; Q171-T173 PolarHBondContact O-N 3.41Å; T173-C196 PolarHBondContact OG1-SG 3.27Å; T173-Q197 WeakPolarHBondContact O-CB 3.33Å; T173-Q197 WeakPolarHBondContact O-CG 3.37Å; T173-Q197 PolarHBondContact O-N 2.86Å
174L85.1Confident89.1Confident13 Ų1357.6 Ų57.67%0.06833%0.325CS..EExtended strand (participates in β ladder)trans-86.9117.3179.2-169126.8000111.1V164 C166 L176 S205 A206V164-L174 HydrophobicContact CG2-CD2 4.43Å; C166-L174 HydrophobicContact CB-CB 4.07Å; C166-L174 HydrophobicContact CB-CD1 4.01Å; L174-L176 HydrophobicContact CD2-CD2 3.66Å; L174-L176 HydrophobicContact CD2-CG 4.16Å; L174-S205 VanDerWaalsContact CD1-O 3.28Å; L174-S205 WeakPolarHBondContact CD1-O 3.24Å; L174-A206 HydrophobicContact CD2-CB 3.73Å
175T87.5Confident89.2Confident83 Ų8357.2 Ų57.251%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-87.4112.9172.7-55.20000108.8G194 E195T175-G194 CarbonylContact O-C 3.58Å; T175-G194 WeakPolarHBondContact O-CA 3.49Å; T175-E195 PolarHBondContact N-O 2.79Å; T175-E195 PolarHBondContact O-N 3.16Å
176L89.1Confident89.3Confident30 Ų3056.2 Ų56.216%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-69.3143.3-179.9-70.2169.5000111.9V164 L174 Q178 M192 A206 F208 W462V164-L176 HydrophobicContact CG1-CD1 4.41Å; V164-L176 HydrophobicContact CG2-CD1 4.34Å; V164-L176 HydrophobicContact CG2-CD2 4.28Å; V164-L176 HydrophobicContact CG2-CG 4.42Å; L174-L176 HydrophobicContact CD2-CD2 3.66Å; L174-L176 HydrophobicContact CD2-CG 4.16Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 WeakPolarHBondContact CB-O 3.5Å; L176-M192 HydrophobicContact CD2-CB 4.33Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; L176-F208 HydrophobicContact CD1-CE1 4.15Å; L176-F208 HydrophobicContact CD1-CZ 3.96Å; L176-F208 HydrophobicContact CD2-CZ 4.16Å; L176-W462 HydrophobicContact CD1-CH2 3.74Å; L176-W462 HydrophobicContact CD1-CZ2 3.77Å
177T87.5Confident89.4Confident109 Ų10959.9 Ų59.967%0.66934%0.337SS*.SBendtrans-65.1-37.6171.6-49.70000111.6S193T177-S193 PolarHBondContact N-O 2.78Å; T177-S193 VanDerWaalsContact N-O 3.14Å; T177-S193 PolarHBondContact OG1-O 3.12Å; T177-S193 PolarHBondContact OG1-OG 3Å
178Q87.7Confident89.4Confident125 Ų12562.1 Ų62.158%0.58435%0.345SS*.SBendtrans-146.9152.3174.364.5-178.847.700109.5L176 M192L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 WeakPolarHBondContact CB-O 3.5Å; Q178-M192 HydrophobicContact CG-CE 3.84Å; Q178-M192 WeakPolarHBondContact O-CE 3.02Å
179G87.6Confident89.4Confident16 Ų1663.2 Ų63.217%0.16535%0.354CS..  trans-69.9153.3173.300000112.5
180P91.7Very high89.4Confident0 Ų066.3 Ų66.30%037%0.367CS..  trans-61.3146.3174.726.2-35.2000111.3L162 D185 V186 M192 F208 W462 F463L162-P180 HydrophobicContact CD2-CG 4.28Å; P180-D185 HydrophobicContact CB-CB 3.96Å; P180-V186 HydrophobicContact CB-CG1 3.62Å; P180-V186 HydrophobicContact CG-CG1 4.11Å; P180-M192 HydrophobicContact CB-SD 3.78Å; P180-F208 HydrophobicContact CB-CZ 4.36Å; P180-F208 HydrophobicContact CG-CE1 4.06Å; P180-F208 HydrophobicContact CG-CZ 4.28Å; P180-W462 HydrophobicContact CG-CB 4.34Å; P180-W462 HydrophobicContact CG-CD2 3.73Å; P180-W462 HydrophobicContact CG-CE3 4.15Å; P180-W462 HydrophobicContact CG-CG 3.82Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.28Å
181S90.2Very high89.5Confident41 Ų4165.2 Ų65.229%0.28736%0.363SS..  trans-122.3-16.1-175.168.50000114.1D185 G430S181-D185 PolarHBondContact N-OD2 2.97Å; S181-D185 PolarHBondContact OG-OD2 3.02Å; S181-G430 WeakPolarHBondContact O-CA 3.21Å
182C90.6Very high89.8Confident48 Ų4861.4 Ų61.432%0.32435%0.345SS..SBendtrans-153.8176.5179.465.80000111.6D184 D185 F463C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 3.49Å; C182-D185 PolarHBondContact N-OD2 3.45Å; C182-D185 PolarHBondContact O-N 3.24Å; C182-F463 VanDerWaalsContact C-CE2 3.48Å
183W91Very high90.2Very high31 Ų3160.5 Ų60.512%0.11733%0.334CS..Hα-helixtrans-62.2-34.9176.4-79.3109.7000113.5F146 D185 V186 L187 F210 A225 H227 F463 V465F146-W183 HydrophobicContact CB-CH2 4.47Å; F146-W183 AromaticContact CD1-CH2 3.87Å; F146-W183 HydrophobicContact CD1-CH2 3.87Å; F146-W183 AromaticContact CD1-CZ2 4Å; F146-W183 HydrophobicContact CD1-CZ2 4Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 2.81Å; W183-V186 HydrophobicContact CE3-CG2 3.87Å; W183-V186 HydrophobicContact CZ3-CG2 4.4Å; W183-V186 VanDerWaalsContact O-CG2 3.26Å; W183-V186 WeakPolarHBondContact O-CG2 3.4Å; W183-V186 PolarHBondContact O-N 3.38Å; W183-V186 VanDerWaalsContact O-N 3.14Å; W183-L187 HydrophobicContact CB-CD1 4.14Å; W183-L187 HydrophobicContact CE3-CD1 3.97Å; W183-L187 HydrophobicContact CE3-CD2 4.29Å; W183-L187 HydrophobicContact CE3-CG 4.06Å; W183-L187 WeakPolarHBondContact O-CB 3.41Å; W183-L187 VanDerWaalsContact O-CG 3.31Å; W183-L187 WeakPolarHBondContact O-CG 3.38Å; W183-L187 PolarHBondContact O-N 2.71Å; W183-F210 HydrophobicContact CE3-CZ 4.35Å; W183-F210 HydrophobicContact CH2-CE1 4.21Å; W183-F210 HydrophobicContact CH2-CZ 4.13Å; W183-F210 HydrophobicContact CZ3-CE1 4.03Å; W183-F210 HydrophobicContact CZ3-CE2 4.21Å; W183-F210 AromaticContact CZ3-CZ 3.48Å; W183-F210 HydrophobicContact CZ3-CZ 3.48Å; W183-F210 VanDerWaalsContact CZ3-CZ 3.48Å; W183-A225 HydrophobicContact CH2-CB 4.33Å; W183-A225 HydrophobicContact CZ3-CB 3.92Å; W183-H227 HydrophobicContact CD2-CB 3.66Å; W183-H227 HydrophobicContact CE3-CB 3.73Å; W183-H227 HydrophobicContact CG-CB 4.16Å; W183-H227 HydrophobicContact CH2-CB 4.21Å; W183-H227 HydrophobicContact CZ2-CB 4.15Å; W183-H227 HydrophobicContact CZ3-CB 4.01Å; W183-F463 HydrophobicContact CD2-CE2 4.29Å; W183-F463 HydrophobicContact CD2-CZ 4.05Å; W183-F463 HydrophobicContact CE3-CZ 4.25Å; W183-F463 HydrophobicContact CG-CE2 4.21Å; W183-F463 HydrophobicContact CG-CZ 4.29Å; W183-V465 HydrophobicContact CZ2-CG2 4.43Å; W183-V465 VanDerWaalsContact NE1-CG1 3.26Å
184D92.4Very high90.4Very high98 Ų9858.9 Ų58.952%0.52433%0.326SS..Hα-helixtrans-63.1-34.6-179-67.4-14.3000112C182 V186 I188C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 3.49Å; D184-V186 PolarHBondContact O-N 2.73Å; D184-I188 HydrophobicContact CB-CD1 3.86Å; D184-I188 HydrophobicContact CB-CG1 4.45Å; D184-I188 VanDerWaalsContact O-CB 3.31Å; D184-I188 WeakPolarHBondContact O-CB 3.33Å; D184-I188 WeakPolarHBondContact O-CG1 3.32Å; D184-I188 PolarHBondContact O-N 3.43Å; D184-I188 VanDerWaalsContact O-N 3.12Å
185D92.6Very high90.7Very high13 Ų1364.6 Ų64.67%0.0735%0.352CS..Hα-helixtrans-62.4-30.9177.8-72.3-21.7000112.6P180 S181 C182 W183 M192 F208P180-D185 HydrophobicContact CB-CB 3.96Å; S181-D185 PolarHBondContact N-OD2 2.97Å; S181-D185 PolarHBondContact OG-OD2 3.02Å; C182-D185 PolarHBondContact N-OD2 3.45Å; C182-D185 PolarHBondContact O-N 3.24Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 2.81Å; D185-M192 HydrophobicContact CB-CG 4.05Å; D185-M192 HydrophobicContact CB-SD 3.72Å; D185-M192 WeakPolarHBondContact O-CG 3.21Å; D185-F208 WeakPolarHBondContact O-CE2 3.48Å
186V91.9Very high90.8Very high11 Ų1161.2 Ų61.27%0.06733%0.332CS..Hα-helixtrans-104.9-19.8-175.1-58.80000114.2L162 P180 W183 D184 F208 F210 F463L162-V186 HydrophobicContact CD1-CB 4.48Å; L162-V186 HydrophobicContact CD1-CG1 4.25Å; L162-V186 HydrophobicContact CD2-CG1 4.03Å; P180-V186 HydrophobicContact CB-CG1 3.62Å; P180-V186 HydrophobicContact CG-CG1 4.11Å; W183-V186 HydrophobicContact CE3-CG2 3.87Å; W183-V186 HydrophobicContact CZ3-CG2 4.4Å; W183-V186 VanDerWaalsContact O-CG2 3.26Å; W183-V186 WeakPolarHBondContact O-CG2 3.4Å; W183-V186 PolarHBondContact O-N 3.38Å; W183-V186 VanDerWaalsContact O-N 3.14Å; D184-V186 PolarHBondContact O-N 2.73Å; V186-F208 HydrophobicContact CB-CB 3.97Å; V186-F208 HydrophobicContact CB-CD1 4.45Å; V186-F208 HydrophobicContact CB-CD2 4.13Å; V186-F208 HydrophobicContact CB-CG 3.93Å; V186-F208 HydrophobicContact CG1-CB 4.34Å; V186-F208 HydrophobicContact CG1-CD1 3.89Å; V186-F208 HydrophobicContact CG1-CD2 4.04Å; V186-F208 HydrophobicContact CG1-CE1 4.15Å; V186-F208 HydrophobicContact CG1-CE2 4.29Å; V186-F208 HydrophobicContact CG1-CG 3.82Å; V186-F208 HydrophobicContact CG1-CZ 4.35Å; V186-F210 HydrophobicContact CG2-CE2 4.33Å; V186-F210 HydrophobicContact CG2-CZ 4.03Å; V186-F463 HydrophobicContact CG1-CE1 3.93Å; V186-F463 HydrophobicContact CG2-CE1 4.09Å; V186-F463 HydrophobicContact CG2-CZ 4.04Å
187L92.3Very high90.8Very high76 Ų7664.7 Ų64.740%0.39835%0.348SS..Hα-helixtrans-96.9-32.7-179.7-63.6179.1000112.9W183 P189 H227W183-L187 HydrophobicContact CB-CD1 4.14Å; W183-L187 HydrophobicContact CE3-CD1 3.97Å; W183-L187 HydrophobicContact CE3-CD2 4.29Å; W183-L187 HydrophobicContact CE3-CG 4.06Å; W183-L187 WeakPolarHBondContact O-CB 3.41Å; W183-L187 VanDerWaalsContact O-CG 3.31Å; W183-L187 WeakPolarHBondContact O-CG 3.38Å; W183-L187 PolarHBondContact O-N 2.71Å; L187-P189 WeakPolarHBondContact O-CD 3.16Å; L187-H227 HydrophobicContact CD1-CB 3.94Å
188I92.2Very high90.7Very high84 Ų8460.6 Ų60.643%0.43132%0.323SS..SBendtrans-81.1118.7-179.1-59.1176.4000109D184 N190 R191D184-I188 HydrophobicContact CB-CD1 3.86Å; D184-I188 HydrophobicContact CB-CG1 4.45Å; D184-I188 VanDerWaalsContact O-CB 3.31Å; D184-I188 WeakPolarHBondContact O-CB 3.33Å; D184-I188 WeakPolarHBondContact O-CG1 3.32Å; D184-I188 PolarHBondContact O-N 3.43Å; D184-I188 VanDerWaalsContact O-N 3.12Å; I188-N190 PolarHBondContact O-N 2.87Å; I188-R191 HydrophobicContact CB-CB 3.99Å; I188-R191 HydrophobicContact CB-CG 4.46Å; I188-R191 HydrophobicContact CG2-CB 4.16Å; I188-R191 WeakPolarHBondContact O-CB 3.36Å; I188-R191 PolarHBondContact O-N 2.92Å
189P91.7Very high90.6Very high107 Ų10759.8 Ų59.870%0.69533%0.329SS*.THydrogen-bonded Turntrans-59140.2179.6-2434.7000112.3L187 R191L187-P189 WeakPolarHBondContact O-CD 3.16Å; P189-R191 PolarHBondContact O-N 3.07Å; P189-R191 VanDerWaalsContact O-N 3.15Å
190N90.8Very high90.7Very high106 Ų10668.3 Ų68.357%0.56736%0.364SS*.THydrogen-bonded Turntrans59.119178.9-51.1-50.8000115.2I188 S205I188-N190 PolarHBondContact O-N 2.87Å; N190-S205 WeakPolarHBondContact OD1-CB 3.15Å
191R92.4Very high90.3Very high157 Ų15769.5 Ų69.559%0.59237%0.372SS*.  trans-69.7-37.8178.6179.158.8178148.8-1113I188 P189I188-R191 HydrophobicContact CB-CB 3.99Å; I188-R191 HydrophobicContact CB-CG 4.46Å; I188-R191 HydrophobicContact CG2-CB 4.16Å; I188-R191 WeakPolarHBondContact O-CB 3.36Å; I188-R191 PolarHBondContact O-N 2.92Å; P189-R191 PolarHBondContact O-N 3.07Å; P189-R191 VanDerWaalsContact O-N 3.15Å
192M91.3Very high90.4Very high12 Ų1272.8 Ų72.86%0.05939%0.392CS..SBendtrans-106.9141.8-178.8-60.8-161.478.400111.7L176 Q178 P180 D185 A206 F208L176-M192 HydrophobicContact CD2-CB 4.33Å; Q178-M192 HydrophobicContact CG-CE 3.84Å; Q178-M192 WeakPolarHBondContact O-CE 3.02Å; P180-M192 HydrophobicContact CB-SD 3.78Å; D185-M192 HydrophobicContact CB-CG 4.05Å; D185-M192 HydrophobicContact CB-SD 3.72Å; D185-M192 WeakPolarHBondContact O-CG 3.21Å; M192-A206 HydrophobicContact CB-CB 4.04Å; M192-A206 WeakPolarHBondContact O-CB 3.2Å; M192-A206 PolarHBondContact O-N 2.95Å; M192-F208 HydrophobicContact CB-CE2 3.98Å; M192-F208 HydrophobicContact CB-CZ 4.43Å; M192-F208 HydrophobicContact CG-CE2 3.9Å; M192-F208 HydrophobicContact CG-CZ 4.34Å; M192-F208 HydrophobicContact SD-CE2 3.53Å; M192-F208 VanDerWaalsContact SD-CE2 3.53Å; M192-F208 HydrophobicContact SD-CZ 3.42Å; M192-F208 WeakPolarHBondContact SD-CZ 3.48Å
193S92.5Very high90.3Very high67 Ų6770.6 Ų70.647%0.46938%0.378SS..BIsolated β-bridgetrans-107159177.662.40000112.6T177 T204T177-S193 PolarHBondContact N-O 2.78Å; T177-S193 VanDerWaalsContact N-O 3.14Å; T177-S193 PolarHBondContact OG1-O 3.12Å; T177-S193 PolarHBondContact OG1-OG 3Å; S193-T204 CarbonylContact C-O 3.55Å; S193-T204 WeakPolarHBondContact CA-O 3.3Å
194G90.8Very high90.4Very high9 Ų973.2 Ų73.29%0.09340%0.397CS..EExtended strand (participates in β ladder)trans-165.3-170172.600000110.8T175 T204T175-G194 CarbonylContact O-C 3.58Å; T175-G194 WeakPolarHBondContact O-CA 3.49Å; G194-T204 PolarHBondContact N-O 3.13Å; G194-T204 CarbonylContact O-C 3.57Å; G194-T204 WeakPolarHBondContact O-CA 3.49Å; G194-T204 VanDerWaalsContact O-O 3.11Å
195E90.5Very high90.5Very high133 Ų13370 Ų7062%0.62138%0.382SS*.EExtended strand (participates in β ladder)trans-122.6120176-174.5176-166.200109.5T175 Q197T175-E195 PolarHBondContact N-O 2.79Å; T175-E195 PolarHBondContact O-N 3.16Å; E195-Q197 PolarHBondContact O-N 2.86Å; E195-Q197 PolarHBondContact O-NE2 3.46Å
196C89.4Confident90.4Very high12 Ų1269.6 Ų69.68%0.08138%0.381CS..EExtended strand (participates in β ladder)trans-73125.3176.3-173.30000111C166 T173 S198 C201 G203C166-C196 HydrophobicContact CB-CB 4.28Å; T173-C196 PolarHBondContact OG1-SG 3.27Å; C196-S198 VanDerWaalsContact C-N 3.26Å; C196-S198 PolarHBondContact O-N 2.74Å; C196-S198 VanDerWaalsContact SG-CB 3.51Å; C196-S198 PolarHBondContact SG-N 2.91Å; C196-C201 HydrophobicContact CB-CB 4.19Å; C196-G203 WeakPolarHBondContact CB-O 3.4Å; C196-G203 PolarHBondContact N-O 2.91Å; C196-G203 VanDerWaalsContact N-O 3.16Å
197Q89.6Confident90.5Very high104 Ų10472.5 Ų72.549%0.48639%0.394SS..  trans-86.66.7178.8-54.3-57.7-49.900113T173 E195T173-Q197 WeakPolarHBondContact O-CB 3.33Å; T173-Q197 WeakPolarHBondContact O-CG 3.37Å; T173-Q197 PolarHBondContact O-N 2.86Å; E195-Q197 PolarHBondContact O-N 2.86Å; E195-Q197 PolarHBondContact O-NE2 3.46Å
198S84.6Confident90.6Very high22 Ų2270.1 Ų70.115%0.15438%0.381CS..SBendtrans-77.1135.5177.6-1660000110.2Q171 C196 H200 C201Q171-S198 VanDerWaalsContact OE1-CB 3.3Å; Q171-S198 PolarHBondContact OE1-OG 3.36Å; C196-S198 VanDerWaalsContact C-N 3.26Å; C196-S198 PolarHBondContact O-N 2.74Å; C196-S198 VanDerWaalsContact SG-CB 3.51Å; C196-S198 PolarHBondContact SG-N 2.91Å; S198-H200 PolarHBondContact O-N 3.15Å; S198-C201 WeakPolarHBondContact O-CB 3.34Å; S198-C201 PolarHBondContact O-N 3.16Å; S198-C201 VanDerWaalsContact O-N 3.12Å
199P87.3Confident90.6Very high108 Ų10867.3 Ų67.370%0.70137%0.365SS*.THydrogen-bonded Turntrans-53.7126.2-179.5-25.533.8000111.8C201P199-C201 PolarHBondContact O-N 2.91Å
200H88Confident90.7Very high196 Ų19662.7 Ų62.791%0.90733%0.334SS*.THydrogen-bonded Turntrans6317.8178.4-48.2-73.2000116S198 P202S198-H200 PolarHBondContact O-N 3.15Å; H200-P202 WeakPolarHBondContact O-CD 3.37Å
201C84.2Confident90.7Very high24 Ų2458.3 Ų58.316%0.16231%0.31CS..  trans-88.5119.8174.7-174.10000111.2C196 S198 P199 G203C196-C201 HydrophobicContact CB-CB 4.19Å; S198-C201 WeakPolarHBondContact O-CB 3.34Å; S198-C201 PolarHBondContact O-N 3.16Å; S198-C201 VanDerWaalsContact O-N 3.12Å; P199-C201 PolarHBondContact O-N 2.91Å; C201-G203 PolarHBondContact O-N 3.07Å; C201-G203 PolarHBondContact SG-N 3.28Å; C201-G203 VanDerWaalsContact SG-N 3.44Å
202P91.9Very high90.7Very high110 Ų11050.8 Ų50.871%0.71428%0.282SS*.  trans-80.912.3175.435-36.8000113.2H200 T204H200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-T204 PolarHBondContact O-N 3.33Å
203G89.6Confident90.6Very high2 Ų251.2 Ų51.22%0.02129%0.289CS..  trans-72.1117.4-170.100000112.9T168 C196 C201T168-G203 VanDerWaalsContact OG1-CA 3.28Å; T168-G203 WeakPolarHBondContact OG1-CA 3.48Å; C196-G203 WeakPolarHBondContact CB-O 3.4Å; C196-G203 PolarHBondContact N-O 2.91Å; C196-G203 VanDerWaalsContact N-O 3.16Å; C201-G203 PolarHBondContact O-N 3.07Å; C201-G203 PolarHBondContact SG-N 3.28Å; C201-G203 VanDerWaalsContact SG-N 3.44Å
204T92.6Very high90.5Very high86 Ų8650.8 Ų50.853%0.52829%0.29SS..  trans-112.4-1.9179.3570000114S193 G194 P202S193-T204 CarbonylContact C-O 3.55Å; S193-T204 WeakPolarHBondContact CA-O 3.3Å; G194-T204 PolarHBondContact N-O 3.13Å; G194-T204 CarbonylContact O-C 3.57Å; G194-T204 WeakPolarHBondContact O-CA 3.49Å; G194-T204 VanDerWaalsContact O-O 3.11Å; P202-T204 PolarHBondContact O-N 3.33Å
205S93.6Very high90.4Very high30 Ų3052.2 Ų52.221%0.2129%0.294CS..BIsolated β-bridgetrans-110136.9-175.4-530000112S167 L174 N190S167-S205 PolarHBondContact N-O 3.19Å; S167-S205 VanDerWaalsContact N-O 3.08Å; S167-S205 WeakPolarHBondContact OG-CB 3.46Å; S167-S205 PolarHBondContact OG-O 3.03Å; L174-S205 VanDerWaalsContact CD1-O 3.28Å; L174-S205 WeakPolarHBondContact CD1-O 3.24Å; N190-S205 WeakPolarHBondContact OD1-CB 3.15Å
206A92.4Very high90.3Very high6 Ų652 Ų525%0.0530%0.304CS..EExtended strand (participates in β ladder)trans-84.4137177.900000111.7V164 L174 L176 M192 F208V164-A206 HydrophobicContact CG2-CB 3.95Å; L174-A206 HydrophobicContact CD2-CB 3.73Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; M192-A206 HydrophobicContact CB-CB 4.04Å; M192-A206 WeakPolarHBondContact O-CB 3.2Å; M192-A206 PolarHBondContact O-N 2.95Å; A206-F208 HydrophobicContact CB-CD2 4.47Å; A206-F208 HydrophobicContact CB-CE2 3.88Å; A206-F208 HydrophobicContact CB-CZ 4.27Å
207E93.2Very high90.2Very high72 Ų7252.9 Ų52.934%0.33631%0.309SS..EExtended strand (participates in β ladder)trans-115116.8167.6-176.2176.3-123.500108.5V164 Q165V164-E207 WeakPolarHBondContact CA-O 3Å; Q165-E207 HydrophobicContact CG-CB 4.06Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 3.41Å; Q165-E207 PolarHBondContact NE2-OE2 3.49Å; Q165-E207 PolarHBondContact O-N 3.21Å
208F93.3Very high90.1Very high26 Ų2650.6 Ų50.611%0.11430%0.304CS..EExtended strand (participates in β ladder)trans-93.4144.1176.8-66.8-84.4000110.7L162 R163 V164 L176 P180 D185 V186 M192 A206 W462L162-F208 HydrophobicContact CD1-CB 4.1Å; L162-F208 HydrophobicContact CD1-CD1 3.88Å; L162-F208 HydrophobicContact CD1-CG 4.39Å; L162-F208 HydrophobicContact CG-CD1 4.41Å; R163-F208 WeakPolarHBondContact O-CA 3.41Å; V164-F208 HydrophobicContact CB-CD1 3.87Å; V164-F208 HydrophobicContact CB-CE1 3.79Å; V164-F208 HydrophobicContact CG2-CD1 4.04Å; V164-F208 HydrophobicContact CG2-CE1 3.79Å; V164-F208 HydrophobicContact CG2-CZ 4.11Å; L176-F208 HydrophobicContact CD1-CE1 4.15Å; L176-F208 HydrophobicContact CD1-CZ 3.96Å; L176-F208 HydrophobicContact CD2-CZ 4.16Å; P180-F208 HydrophobicContact CB-CZ 4.36Å; P180-F208 HydrophobicContact CG-CE1 4.06Å; P180-F208 HydrophobicContact CG-CZ 4.28Å; D185-F208 WeakPolarHBondContact O-CE2 3.48Å; V186-F208 HydrophobicContact CB-CB 3.97Å; V186-F208 HydrophobicContact CB-CD1 4.45Å; V186-F208 HydrophobicContact CB-CD2 4.13Å; V186-F208 HydrophobicContact CB-CG 3.93Å; V186-F208 HydrophobicContact CG1-CB 4.34Å; V186-F208 HydrophobicContact CG1-CD1 3.89Å; V186-F208 HydrophobicContact CG1-CD2 4.04Å; V186-F208 HydrophobicContact CG1-CE1 4.15Å; V186-F208 HydrophobicContact CG1-CE2 4.29Å; V186-F208 HydrophobicContact CG1-CG 3.82Å; V186-F208 HydrophobicContact CG1-CZ 4.35Å; M192-F208 HydrophobicContact CB-CE2 3.98Å; M192-F208 HydrophobicContact CB-CZ 4.43Å; M192-F208 HydrophobicContact CG-CE2 3.9Å; M192-F208 HydrophobicContact CG-CZ 4.34Å; M192-F208 HydrophobicContact SD-CE2 3.53Å; M192-F208 VanDerWaalsContact SD-CE2 3.53Å; M192-F208 HydrophobicContact SD-CZ 3.42Å; M192-F208 WeakPolarHBondContact SD-CZ 3.48Å; A206-F208 HydrophobicContact CB-CD2 4.47Å; A206-F208 HydrophobicContact CB-CE2 3.88Å; A206-F208 HydrophobicContact CB-CZ 4.27Å; F208-W462 HydrophobicContact CE1-CZ3 4.28Å
209F92.8Very high89.9Confident24 Ų2455 Ų5511%0.10533%0.326CS..EExtended strand (participates in β ladder)trans-145.8156.4174.364.1-84.5000110.5R163 Q165 K211 T222R163-F209 HydrophobicContact CB-CD1 4.11Å; R163-F209 HydrophobicContact CB-CD2 3.99Å; R163-F209 HydrophobicContact CB-CE1 3.64Å; R163-F209 HydrophobicContact CB-CE2 3.53Å; R163-F209 HydrophobicContact CB-CG 4.28Å; R163-F209 HydrophobicContact CB-CZ 3.34Å; R163-F209 HydrophobicContact CG-CE2 3.95Å; R163-F209 HydrophobicContact CG-CZ 4.07Å; R163-F209 PolarHBondContact N-O 3.1Å; R163-F209 PolarHBondContact O-N 2.85Å; Q165-F209 HydrophobicContact CB-CE1 4.03Å; Q165-F209 HydrophobicContact CG-CD1 4.05Å; Q165-F209 HydrophobicContact CG-CE1 3.85Å; F209-K211 HydrophobicContact CD2-CD 4.48Å; F209-K211 HydrophobicContact CD2-CG 4.04Å; F209-K211 HydrophobicContact CE2-CD 3.96Å; F209-K211 HydrophobicContact CE2-CG 3.99Å; F209-T222 HydrophobicContact CB-CG2 4.19Å; F209-T222 HydrophobicContact CD2-CG2 3.98Å; F209-T222 HydrophobicContact CG-CG2 4.39Å
210F93.6Very high89.8Confident11 Ų1159.1 Ų59.15%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-114.8145.7-178.7-66.2-101.6000110.6F146 V148 K161 L162 W183 V186 T222 S223 A225F146-F210 HydrophobicContact CB-CD1 4.2Å; F146-F210 HydrophobicContact CB-CE1 3.89Å; F146-F210 HydrophobicContact CD1-CE1 4.06Å; F146-F210 HydrophobicContact CD2-CE1 4.28Å; F146-F210 HydrophobicContact CG-CD1 4.47Å; F146-F210 AromaticContact CG-CE1 3.8Å; F146-F210 HydrophobicContact CG-CE1 3.8Å; V148-F210 HydrophobicContact CG1-CB 3.63Å; V148-F210 HydrophobicContact CG1-CD1 4.36Å; V148-F210 HydrophobicContact CG1-CG 4.31Å; K161-F210 WeakPolarHBondContact O-CA 3.47Å; L162-F210 HydrophobicContact CB-CD1 4.32Å; L162-F210 HydrophobicContact CB-CE1 4.06Å; L162-F210 HydrophobicContact CD1-CD1 4.29Å; L162-F210 HydrophobicContact CD1-CD2 4.34Å; L162-F210 HydrophobicContact CD1-CE1 3.83Å; L162-F210 HydrophobicContact CD1-CE2 3.88Å; L162-F210 HydrophobicContact CD1-CZ 3.62Å; L162-F210 HydrophobicContact CG-CE1 4.43Å; W183-F210 HydrophobicContact CE3-CZ 4.35Å; W183-F210 HydrophobicContact CH2-CE1 4.21Å; W183-F210 HydrophobicContact CH2-CZ 4.13Å; W183-F210 HydrophobicContact CZ3-CE1 4.03Å; W183-F210 HydrophobicContact CZ3-CE2 4.21Å; W183-F210 AromaticContact CZ3-CZ 3.48Å; W183-F210 HydrophobicContact CZ3-CZ 3.48Å; W183-F210 VanDerWaalsContact CZ3-CZ 3.48Å; V186-F210 HydrophobicContact CG2-CE2 4.33Å; V186-F210 HydrophobicContact CG2-CZ 4.03Å; F210-T222 CarbonylContact O-C 3.25Å; F210-T222 WeakPolarHBondContact O-CA 3.37Å; F210-S223 PolarHBondContact O-N 3.24Å; F210-A225 HydrophobicContact CD1-CB 4.25Å; F210-A225 HydrophobicContact CD2-CB 3.58Å; F210-A225 HydrophobicContact CE1-CB 4.32Å; F210-A225 HydrophobicContact CE2-CB 3.66Å; F210-A225 HydrophobicContact CG-CB 3.88Å; F210-A225 HydrophobicContact CZ-CB 4.02Å
211K91Very high89.7Confident13 Ų1354.6 Ų54.66%0.05731%0.313CS..EExtended strand (participates in β ladder)trans-124.9158.4174.8-56.8-161-71.5-176.20110.7G160 K161 F209 G213 T217 S218 D219 E221G160-K211 CarbonylContact C-O 3.52Å; G160-K211 WeakPolarHBondContact CA-O 3.18Å; K161-K211 PolarHBondContact N-O 3.41Å; K161-K211 PolarHBondContact O-N 3.02Å; F209-K211 HydrophobicContact CD2-CD 4.48Å; F209-K211 HydrophobicContact CD2-CG 4.04Å; F209-K211 HydrophobicContact CE2-CD 3.96Å; F209-K211 HydrophobicContact CE2-CG 3.99Å; K211-G213 PolarHBondContact O-N 3.08Å; K211-T217 PolarHBondContact NZ-O 3.41Å; K211-S218 WeakPolarHBondContact CD-O 3.37Å; K211-D219 IonicContact NZ-OD1 3.55Å; K211-D219 PolarHBondContact NZ-OD1 2.92Å; K211-E221 WeakPolarHBondContact CG-O 3.14Å
212C92.5Very high90.1Very high0 Ų057.8 Ų57.80%033%0.331CS..EExtended strand (participates in β ladder)trans-65.8129.7170.8-172.90000110.3C150 H215 T217C150-C212 HydrophobicContact CB-CB 3.99Å; C212-H215 WeakPolarHBondContact CB-NE2 3.36Å; C212-H215 PolarHBondContact SG-CD2 3.15Å; C212-H215 PolarHBondContact SG-NE2 3.03Å; C212-T217 HydrophobicContact CB-CG2 4.18Å
213G89.7Confident90.1Very high21 Ų2153.4 Ų53.422%0.21630%0.303CS..SBendtrans-82.9-19178.600000114.4P159 K161 K211P159-G213 WeakPolarHBondContact O-CA 3.33Å; P159-G213 PolarHBondContact O-N 3.42Å; K161-G213 PolarHBondContact NZ-O 2.84Å; K161-G213 VanDerWaalsContact NZ-O 3.12Å; K211-G213 PolarHBondContact O-N 3.08Å
214A89.5Confident90.3Very high58 Ų5855.4 Ų55.448%0.47932%0.315SS..SBendtrans-79.4-17.1-169.900000114.9Q158Q158-A214 HydrophobicContact CB-CB 4.44Å; Q158-A214 HydrophobicContact CG-CB 4.12Å; Q158-A214 VanDerWaalsContact OE1-CB 3.29Å
215H89.9Confident90.3Very high39 Ų3951.8 Ų51.818%0.18129%0.294CS..SBendtrans-143.3160.2176.557.789.3000110.1C150 C154 C212 T217C150-H215 PolarHBondContact SG-NE2 3.11Å; C150-H215 VanDerWaalsContact SG-NE2 3.36Å; C154-H215 VanDerWaalsContact SG-CD2 3.57Å; C212-H215 WeakPolarHBondContact CB-NE2 3.36Å; C212-H215 PolarHBondContact SG-CD2 3.15Å; C212-H215 PolarHBondContact SG-NE2 3.03Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.41Å; H215-T217 PolarHBondContact O-N 3.27Å
216P88.3Confident90.3Very high128 Ų12850.4 Ų50.483%0.83128%0.284SS*.  trans-55.9137.1168.2-22.534.3000110.4
217T86.8Confident90.4Very high30 Ų3051.8 Ų51.818%0.18429%0.289CS..  trans-132.9138.6-178.941.40000110.2K211 C212 H215 E221K211-T217 PolarHBondContact NZ-O 3.41Å; C212-T217 HydrophobicContact CB-CG2 4.18Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.41Å; H215-T217 PolarHBondContact O-N 3.27Å; T217-E221 VanDerWaalsContact CA-OE2 3.27Å; T217-E221 WeakPolarHBondContact CA-OE2 3.27Å; T217-E221 HydrophobicContact CG2-CB 4.45Å
218S86.9Confident90.4Very high56 Ų5648.8 Ų48.839%0.39228%0.276SS..  trans-67.5164.6170.475.90000110.8K211 K220 E221K211-S218 WeakPolarHBondContact CD-O 3.37Å; S218-K220 PolarHBondContact O-N 2.89Å; S218-E221 PolarHBondContact N-OE2 3.36Å; S218-E221 PolarHBondContact O-N 3Å; S218-E221 WeakPolarHBondContact OG-CG 3.47Å; S218-E221 PolarHBondContact OG-N 2.78Å
219D80.7Confident90.5Very high115 Ų11547.5 Ų47.562%0.61527%0.27SS*.THydrogen-bonded Turntrans-71.3-16.6178.3-66.9-33.6000113.4K211K211-D219 IonicContact NZ-OD1 3.55Å; K211-D219 PolarHBondContact NZ-OD1 2.92Å
220K84.7Confident90.4Very high195 Ų19546.6 Ų46.685%0.84827%0.267SS*.THydrogen-bonded Turntrans-84.4-19.8173.6-63.8-174.8179.7-178.20113S218 T222S218-K220 PolarHBondContact O-N 2.89Å; K220-T222 PolarHBondContact O-N 3.15Å; K220-T222 VanDerWaalsContact O-N 3.13Å
221E87.6Confident90.3Very high101 Ų10147.3 Ų47.347%0.47227%0.272SS..  trans-81.989.7-179.5-78.8166.8-171.400110.8K211 T217 S218K211-E221 WeakPolarHBondContact CG-O 3.14Å; T217-E221 VanDerWaalsContact CA-OE2 3.27Å; T217-E221 WeakPolarHBondContact CA-OE2 3.27Å; T217-E221 HydrophobicContact CG2-CB 4.45Å; S218-E221 PolarHBondContact N-OE2 3.36Å; S218-E221 PolarHBondContact O-N 3Å; S218-E221 WeakPolarHBondContact OG-CG 3.47Å; S218-E221 PolarHBondContact OG-N 2.78Å
222T91.6Very high90.2Very high90 Ų9047 Ų4755%0.55227%0.271SS*.  trans-93.9152175.563.70000111.4F209 F210 K220F209-T222 HydrophobicContact CB-CG2 4.19Å; F209-T222 HydrophobicContact CD2-CG2 3.98Å; F209-T222 HydrophobicContact CG-CG2 4.39Å; F210-T222 CarbonylContact O-C 3.25Å; F210-T222 WeakPolarHBondContact O-CA 3.37Å; K220-T222 PolarHBondContact O-N 3.15Å; K220-T222 VanDerWaalsContact O-N 3.13Å
223S92.6Very high89.9Confident18 Ų1849.7 Ų49.713%0.12629%0.29CS..  trans-126.8144.3173.4-61.80000108.9F210 A225F210-S223 PolarHBondContact O-N 3.24Å; S223-A225 PolarHBondContact O-N 3.13Å
224V92.6Very high89.6Confident44 Ų4451.6 Ų51.627%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-72.9131.4-178-177.40000109.4V148 Y149 H302V148-V224 VanDerWaalsContact CA-O 3.26Å; V148-V224 WeakPolarHBondContact CA-O 3.39Å; V148-V224 WeakPolarHBondContact CB-O 3.41Å; Y149-V224 PolarHBondContact N-O 2.76Å; V224-H302 HydrophobicContact CG1-CB 3.74Å
225A93.6Very high89.5Confident11 Ų1153.8 Ų53.89%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-72.8135.9175.700000111.3W183 F210 S223W183-A225 HydrophobicContact CH2-CB 4.33Å; W183-A225 HydrophobicContact CZ3-CB 3.92Å; F210-A225 HydrophobicContact CD1-CB 4.25Å; F210-A225 HydrophobicContact CD2-CB 3.58Å; F210-A225 HydrophobicContact CE1-CB 4.32Å; F210-A225 HydrophobicContact CE2-CB 3.66Å; F210-A225 HydrophobicContact CG-CB 3.88Å; F210-A225 HydrophobicContact CZ-CB 4.02Å; S223-A225 PolarHBondContact O-N 3.13Å
226L93.9Very high89.5Confident0 Ų052.6 Ų52.60%029%0.289CS..  trans-105.776.8179-58.8176.4000108.5Y147 V157 L228 I229 H303 I306Y147-L226 PolarHBondContact O-N 3.45Å; V157-L226 HydrophobicContact CG1-CD1 4.22Å; V157-L226 HydrophobicContact CG2-CD1 3.91Å; L226-L228 PolarHBondContact O-N 3.06Å; L226-L228 VanDerWaalsContact O-N 3.15Å; L226-I229 HydrophobicContact CB-CB 4.25Å; L226-I229 HydrophobicContact CB-CD1 3.77Å; L226-I229 HydrophobicContact CB-CG1 3.96Å; L226-I229 HydrophobicContact CD1-CD1 3.57Å; L226-I229 HydrophobicContact CG-CD1 4.3Å; L226-I229 WeakPolarHBondContact O-CB 3.31Å; L226-I229 PolarHBondContact O-N 3.09Å; L226-H303 WeakPolarHBondContact CA-NE2 3.32Å; L226-I306 HydrophobicContact CD1-CG2 3.57Å; L226-I306 HydrophobicContact CD2-CG2 4.46Å
227H92.9Very high89.7Confident35 Ų3547.9 Ų47.916%0.16226%0.258CS..THydrogen-bonded Turntrans-65.5-16.4-169.873.584.3000114.5W183 L187 I229 E300 H303W183-H227 HydrophobicContact CD2-CB 3.66Å; W183-H227 HydrophobicContact CE3-CB 3.73Å; W183-H227 HydrophobicContact CG-CB 4.16Å; W183-H227 HydrophobicContact CH2-CB 4.21Å; W183-H227 HydrophobicContact CZ2-CB 4.15Å; W183-H227 HydrophobicContact CZ3-CB 4.01Å; L187-H227 HydrophobicContact CD1-CB 3.94Å; H227-I229 VanDerWaalsContact C-N 3.31Å; H227-E300 WeakPolarHBondContact NE2-CB 3.39Å; H227-H303 AromaticContact CD2-CE1 3.68Å; H227-H303 PolarHBondContact N-NE2 3.05Å; H227-H303 AromaticContact NE2-CE1 3.74Å
228L94.1Very high90.1Very high9 Ų946.5 Ų46.55%0.04725%0.25CC..THydrogen-bonded Turntrans-81.8-13173-56.5178.7000112.5L226 L249 V250 Q252 I298 H303L226-L228 PolarHBondContact O-N 3.06Å; L226-L228 VanDerWaalsContact O-N 3.15Å; L228-L249 HydrophobicContact CB-CD1 4.45Å; L228-L249 HydrophobicContact CB-CG 4.04Å; L228-L249 CarbonylContact O-C 3.38Å; L228-L249 WeakPolarHBondContact O-CA 3.06Å; L228-V250 PolarHBondContact O-N 3.37Å; L228-Q252 HydrophobicContact CD2-CG 3.5Å; L228-I298 HydrophobicContact CD1-CG1 4.25Å; L228-I298 HydrophobicContact CD1-CG2 3.91Å; L228-H303 WeakPolarHBondContact CB-NE2 3.46Å; L228-H303 PolarHBondContact N-NE2 2.81Å; L228-H303 VanDerWaalsContact N-NE2 3.16Å
229I94.6Very high90.4Very high0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-92.3122.1179.9-58.1-175.4000109.2Y147 V157 L226 H227 P247 V248 L261 I306Y147-I229 HydrophobicContact CD1-CG2 4.34Å; Y147-I229 HydrophobicContact CD2-CB 4.33Å; Y147-I229 HydrophobicContact CD2-CG2 3.61Å; Y147-I229 HydrophobicContact CE2-CG2 4.29Å; Y147-I229 HydrophobicContact CG-CB 4.38Å; Y147-I229 HydrophobicContact CG-CG2 3.64Å; V157-I229 HydrophobicContact CG1-CD1 4.17Å; V157-I229 HydrophobicContact CG2-CD1 4.21Å; L226-I229 HydrophobicContact CB-CB 4.25Å; L226-I229 HydrophobicContact CB-CD1 3.77Å; L226-I229 HydrophobicContact CB-CG1 3.96Å; L226-I229 HydrophobicContact CD1-CD1 3.57Å; L226-I229 HydrophobicContact CG-CD1 4.3Å; L226-I229 WeakPolarHBondContact O-CB 3.31Å; L226-I229 PolarHBondContact O-N 3.09Å; H227-I229 VanDerWaalsContact C-N 3.31Å; I229-P247 HydrophobicContact CG2-CB 3.6Å; I229-P247 HydrophobicContact CG2-CG 4.06Å; I229-V248 CarbonylContact C-O 3.53Å; I229-V248 VanDerWaalsContact CA-O 3.32Å; I229-V248 WeakPolarHBondContact CA-O 3.42Å; I229-L261 HydrophobicContact CD1-CD1 4.46Å; I229-L261 HydrophobicContact CD1-CD2 3.99Å; I229-L261 HydrophobicContact CG1-CD2 4.31Å; I229-I306 HydrophobicContact CD1-CD1 4.33Å; I229-I306 HydrophobicContact CD1-CG2 4.34Å
230A91.6Very high90.9Very high4 Ų440.6 Ų40.63%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-125151.8179.900000111.5N232 P247 V248 V250 W403 V465A230-N232 PolarHBondContact O-N 3.47Å; A230-P247 WeakPolarHBondContact O-CA 3.46Å; A230-P247 WeakPolarHBondContact O-CB 3.49Å; A230-V248 PolarHBondContact N-O 3.1Å; A230-V248 PolarHBondContact O-N 3.27Å; A230-V250 HydrophobicContact CB-CG2 4.39Å; A230-W403 HydrophobicContact CB-CH2 3.89Å; A230-W403 HydrophobicContact CB-CZ2 3.87Å; A230-V465 HydrophobicContact CB-CG1 4.42Å
231T90.7Very high91.2Very high26 Ų2633.1 Ų33.116%0.1619%0.187CC..  trans-71123.8169.1-69.40000108.7N144 Y147 S233N144-T231 PolarHBondContact O-OG1 2.87Å; Y147-T231 VanDerWaalsContact CE2-OG1 3.26Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.42Å; Y147-T231 PolarHBondContact OH-OG1 2.94Å; T231-S233 PolarHBondContact O-N 3.07Å
232N90.3Very high91.4Very high7 Ų731.9 Ų31.94%0.03719%0.187CC..  trans-77.662-176.4-167.19.5000112.3A230 R234 N235 I236 R245 S246 V248A230-N232 PolarHBondContact O-N 3.47Å; N232-R234 PolarHBondContact O-N 2.96Å; N232-N235 PolarHBondContact O-N 2.97Å; N232-N235 PolarHBondContact OD1-N 3.24Å; N232-I236 PolarHBondContact ND2-N 2.79Å; N232-I236 PolarHBondContact ND2-O 2.83Å; N232-I236 PolarHBondContact OD1-N 3.27Å; N232-R245 WeakPolarHBondContact CB-O 3.45Å; N232-R245 PolarHBondContact ND2-O 2.9Å; N232-S246 PolarHBondContact N-OG 3.49Å; N232-S246 VanDerWaalsContact N-OG 3.16Å; N232-V248 HydrophobicContact CB-CG1 4Å; N232-V248 HydrophobicContact CB-CG2 3.93Å
233S84.7Confident91.4Very high57 Ų5731 Ų3140%0.39918%0.179SC..THydrogen-bonded Turntrans-68.9-12.8177.961.60000113.4T231T231-S233 PolarHBondContact O-N 3.07Å
234R83.5Confident91.4Very high61 Ų6133.6 Ų33.623%0.2319%0.193CC..THydrogen-bonded Turntrans-93.8-1.4-179.1-60176.4-162.3-167.43.9112.8N232 I236 W403N232-R234 PolarHBondContact O-N 2.96Å; R234-I236 HydrophobicContact CB-CD1 3.88Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 3.29Å; R234-W403 VanDerWaalsContact CZ-CE2 3.45Å; R234-W403 VanDerWaalsContact CZ-NE1 3.3Å; R234-W403 PolarHBondContact NH1-O 3.22Å
235N87.8Confident91.3Very high104 Ų10433.4 Ų33.456%0.55619%0.188SC*.  trans51.938.1-177.1-61.6-39.3000113.6N232 V244N232-N235 PolarHBondContact O-N 2.97Å; N232-N235 PolarHBondContact OD1-N 3.24Å; N235-V244 HydrophobicContact CB-CG1 3.97Å
236I90Very high91.2Very high14 Ų1434.4 Ų34.47%0.07219%0.194CC..PPolyproline II helixtrans-73.1137.4179.1-52.3-59.4000109.5N232 R234 V258 W403 A406N232-I236 PolarHBondContact ND2-N 2.79Å; N232-I236 PolarHBondContact ND2-O 2.83Å; N232-I236 PolarHBondContact OD1-N 3.27Å; R234-I236 HydrophobicContact CB-CD1 3.88Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 3.29Å; I236-V258 HydrophobicContact CB-CG1 4.47Å; I236-V258 HydrophobicContact CB-CG2 4.28Å; I236-V258 HydrophobicContact CG2-CB 3.95Å; I236-V258 HydrophobicContact CG2-CG1 4.31Å; I236-V258 HydrophobicContact CG2-CG2 3.73Å; I236-W403 HydrophobicContact CG1-CE3 4.11Å; I236-W403 HydrophobicContact CG1-CZ3 4.4Å; I236-A406 HydrophobicContact CD1-CB 3.68Å
237T93.4Very high91.2Very high29 Ų2935.4 Ų35.418%0.17820%0.2CC..BIsolated β-bridgetrans-73.7148.7177.553.80000111.2T242 V244 Q400 A401T237-T242 VanDerWaalsContact CB-O 3.27Å; T237-T242 WeakPolarHBondContact CB-O 3.36Å; T237-T242 VanDerWaalsContact CG2-O 3.23Å; T237-T242 WeakPolarHBondContact CG2-O 3.41Å; T237-V244 HydrophobicContact CG2-CG2 3.9Å; T237-Q400 WeakPolarHBondContact OG1-CB 3.49Å; T237-A401 VanDerWaalsContact O-CB 3.3Å; T237-A401 WeakPolarHBondContact O-CB 3.39Å
238C94.3Very high91.3Very high1 Ų133.8 Ų33.81%0.00719%0.193CC..PPolyproline II helixtrans-68.4133.6172.6178.50000110.5T240 C241 T242 D243 C260C238-T240 PolarHBondContact O-N 3.05Å; C238-T240 PolarHBondContact SG-N 3.29Å; C238-C241 VanDerWaalsContact CB-SG 3.53Å; C238-C241 VanDerWaalsContact SG-SG 3.68Å; C238-T242 WeakPolarHBondContact O-CA 3.39Å; C238-T242 PolarHBondContact O-N 2.97Å; C238-D243 WeakPolarHBondContact CB-O 3.36Å; C238-D243 PolarHBondContact N-O 3.33Å; C238-C260 HydrophobicContact CB-CB 4.22Å; C238-C260 PolarHBondContact SG-N 3.25Å; C238-C260 VanDerWaalsContact SG-SG 3.68Å
239I93.7Very high91.4Very high2 Ų233.3 Ų33.31%0.0119%0.191CC..THydrogen-bonded Turntrans-57.9-23.5177.6-171.3159000114.4H257 V258 I259 V290 A291 V393 A398 A401I239-H257 HydrophobicContact CD1-CB 3.69Å; I239-V258 WeakPolarHBondContact CB-O 3.32Å; I239-V258 VanDerWaalsContact CG2-O 3.26Å; I239-V258 WeakPolarHBondContact CG2-O 3.3Å; I239-V258 PolarHBondContact N-O 2.89Å; I239-I259 HydrophobicContact CG2-CB 3.99Å; I239-I259 HydrophobicContact CG2-CD1 4.41Å; I239-I259 HydrophobicContact CG2-CG1 4.15Å; I239-V290 HydrophobicContact CD1-CG1 4.18Å; I239-V290 HydrophobicContact CG1-CG1 4.38Å; I239-V290 HydrophobicContact CG2-CG1 3.47Å; I239-V290 VanDerWaalsContact CG2-CG1 3.47Å; I239-A291 HydrophobicContact CD1-CB 3.98Å; I239-V393 HydrophobicContact CD1-CG1 3.95Å; I239-V393 HydrophobicContact CG1-CG1 3.43Å; I239-V393 VanDerWaalsContact CG1-CG1 3.43Å; I239-V393 HydrophobicContact CG1-CG2 4.43Å; I239-A398 HydrophobicContact CD1-CB 4.06Å; I239-A398 HydrophobicContact CG1-CB 4.37Å; I239-A401 HydrophobicContact CB-CB 3.6Å; I239-A401 HydrophobicContact CG1-CB 4.22Å
240T90.8Very high91.4Very high45 Ų4534.2 Ų34.228%0.27620%0.196SC..THydrogen-bonded Turntrans-103.1-53.4-175.5-55.70000112.9C238 C263 Y391C238-T240 PolarHBondContact O-N 3.05Å; C238-T240 PolarHBondContact SG-N 3.29Å; T240-C263 HydrophobicContact CG2-CB 4.38Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.42Å; T240-Y391 PolarHBondContact OG1-OH 2.93Å
241C90.7Very high91.6Very high38 Ų3834 Ų3426%0.25720%0.195SC..THydrogen-bonded Turntrans-98.8-1.1-176.369.80000114.4C238 D243 C263C238-C241 VanDerWaalsContact CB-SG 3.53Å; C238-C241 VanDerWaalsContact SG-SG 3.68Å; C241-D243 PolarHBondContact O-N 3.37Å; C241-D243 PolarHBondContact SG-OD2 3.38Å; C241-C263 VanDerWaalsContact SG-SG 3.69Å
242T91.4Very high91.7Very high75 Ų7536 Ų3646%0.4620%0.202SC..  trans56.9-1.6-176.3660000116.5T237 C238 A397T237-T242 VanDerWaalsContact CB-O 3.27Å; T237-T242 WeakPolarHBondContact CB-O 3.36Å; T237-T242 VanDerWaalsContact CG2-O 3.23Å; T237-T242 WeakPolarHBondContact CG2-O 3.41Å; C238-T242 WeakPolarHBondContact O-CA 3.39Å; C238-T242 PolarHBondContact O-N 2.97Å; T242-A397 HydrophobicContact CG2-CB 3.85Å
243D92.6Very high91.8Very high72 Ų7235.7 Ų35.739%0.38520%0.201SC..  trans-69.4148.6174-62.4-36.7000112.8C238 C241 R245C238-D243 WeakPolarHBondContact CB-O 3.36Å; C238-D243 PolarHBondContact N-O 3.33Å; C241-D243 PolarHBondContact O-N 3.37Å; C241-D243 PolarHBondContact SG-OD2 3.38Å; D243-R245 HydrophobicContact CB-CG 4.05Å
244V92.1Very high92.1Very high72 Ų7240.6 Ų40.644%0.43622%0.222SC..BIsolated β-bridgetrans-88109.5168.1-177.40000109N235 T237N235-V244 HydrophobicContact CB-CG1 3.97Å; T237-V244 HydrophobicContact CG2-CG2 3.9Å
245R91.4Very high92.4Very high40 Ų4039.3 Ų39.315%0.15122%0.222CC..  trans-122.6162.1-180-59.1-65.2-64108.58.9110.6Q78 N232 D243 V248 C260Q78-R245 VanDerWaalsContact CB-NH1 3.3Å; N232-R245 WeakPolarHBondContact CB-O 3.45Å; N232-R245 PolarHBondContact ND2-O 2.9Å; D243-R245 HydrophobicContact CB-CG 4.05Å; R245-V248 VanDerWaalsContact O-CG1 3.22Å; R245-V248 WeakPolarHBondContact O-CG1 3.36Å; R245-C260 HydrophobicContact CB-CB 3.74Å; R245-C260 HydrophobicContact CG-CB 3.89Å
246S91.1Very high92.6Very high32 Ų3238.6 Ų38.622%0.22421%0.212CC..SBendtrans-147.8135.4173.4-170.20000109.9Q78 N232Q78-S246 PolarHBondContact NE2-O 3.28Å; Q78-S246 PolarHBondContact OE1-O 3.43Å; N232-S246 PolarHBondContact N-OG 3.49Å; N232-S246 VanDerWaalsContact N-OG 3.16Å
247P93.9Very high92.8Very high20 Ų2038.4 Ų38.413%0.1321%0.211CC..SBendcis-71.9169.6-5.731.8-36.8000113.4Y147 I229 A230 L261Y147-P247 HydrophobicContact CD1-CB 4.34Å; Y147-P247 HydrophobicContact CD1-CG 4.11Å; Y147-P247 HydrophobicContact CD2-CB 4.27Å; Y147-P247 HydrophobicContact CE1-CB 3.79Å; Y147-P247 HydrophobicContact CE1-CG 3.64Å; Y147-P247 HydrophobicContact CE2-CB 3.73Å; Y147-P247 HydrophobicContact CE2-CG 4.48Å; Y147-P247 VanDerWaalsContact CZ-CB 3.47Å; I229-P247 HydrophobicContact CG2-CB 3.6Å; I229-P247 HydrophobicContact CG2-CG 4.06Å; A230-P247 WeakPolarHBondContact O-CA 3.46Å; A230-P247 WeakPolarHBondContact O-CB 3.49Å; P247-L261 HydrophobicContact CG-CD1 3.75Å; P247-L261 HydrophobicContact CG-CG 4.39Å
248V94.8Very high92.8Very high1 Ų137 Ų371%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-127.8153.6176.8-66.10000110.3I229 A230 N232 R245 V258 W403I229-V248 CarbonylContact C-O 3.53Å; I229-V248 VanDerWaalsContact CA-O 3.32Å; I229-V248 WeakPolarHBondContact CA-O 3.42Å; A230-V248 PolarHBondContact N-O 3.1Å; A230-V248 PolarHBondContact O-N 3.27Å; N232-V248 HydrophobicContact CB-CG1 4Å; N232-V248 HydrophobicContact CB-CG2 3.93Å; R245-V248 VanDerWaalsContact O-CG1 3.22Å; R245-V248 WeakPolarHBondContact O-CG1 3.36Å; V248-V258 HydrophobicContact CB-CG1 3.52Å; V248-V258 HydrophobicContact CG1-CG1 3.83Å; V248-V258 HydrophobicContact CG2-CG1 3.55Å; V248-W403 HydrophobicContact CG2-CZ3 3.99Å
249L95.9Very high92.9Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-95.4131.4169.6-176.2150.2000109.1L228 F251 I259 L261 F264L228-L249 HydrophobicContact CB-CD1 4.45Å; L228-L249 HydrophobicContact CB-CG 4.04Å; L228-L249 CarbonylContact O-C 3.38Å; L228-L249 WeakPolarHBondContact O-CA 3.06Å; L249-F251 HydrophobicContact CD2-CD1 4.09Å; L249-F251 HydrophobicContact CD2-CD2 4.26Å; L249-F251 HydrophobicContact CD2-CE1 4.1Å; L249-F251 HydrophobicContact CD2-CE2 4.27Å; L249-F251 HydrophobicContact CD2-CG 4.18Å; L249-F251 HydrophobicContact CD2-CZ 4.19Å; L249-I259 HydrophobicContact CB-CG2 3.89Å; L249-I259 HydrophobicContact CD2-CG2 3.91Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 3.46Å; L249-I259 PolarHBondContact O-N 3Å; L249-L261 HydrophobicContact CB-CD2 4.21Å; L249-F264 HydrophobicContact CD1-CD1 4.38Å; L249-F264 HydrophobicContact CD1-CD2 3.95Å; L249-F264 HydrophobicContact CD1-CE1 4.21Å; L249-F264 HydrophobicContact CD1-CE2 3.8Å; L249-F264 HydrophobicContact CD1-CG 4.22Å; L249-F264 HydrophobicContact CD1-CZ 3.91Å; L249-F264 HydrophobicContact CD2-CD2 4.33Å; L249-F264 HydrophobicContact CD2-CE2 4.35Å
250V95Very high93Very high18 Ų1837 Ų3711%0.10920%0.202CC..EExtended strand (participates in β ladder)trans-106.8114.3178.2-173.50000108.6L228 A230 R256 V258 W403L228-V250 PolarHBondContact O-N 3.37Å; A230-V250 HydrophobicContact CB-CG2 4.39Å; V250-R256 HydrophobicContact CG1-CB 3.89Å; V250-V258 HydrophobicContact CG2-CG2 4.43Å; V250-W403 HydrophobicContact CG1-CB 3.85Å; V250-W403 HydrophobicContact CG1-CG 4Å; V250-W403 HydrophobicContact CG2-CD2 3.88Å; V250-W403 HydrophobicContact CG2-CE3 3.98Å; V250-W403 HydrophobicContact CG2-CG 4.19Å; V250-W403 HydrophobicContact CG2-CZ3 4.43Å
251F95.2Very high93.2Very high1 Ų136.1 Ų36.10%0.00420%0.196CC..  trans-67.7151.3176.4-74.9-75.4000111.4L249 C253 R256 H257 I259 F264 Y267 P288 C289 V290 I298L249-F251 HydrophobicContact CD2-CD1 4.09Å; L249-F251 HydrophobicContact CD2-CD2 4.26Å; L249-F251 HydrophobicContact CD2-CE1 4.1Å; L249-F251 HydrophobicContact CD2-CE2 4.27Å; L249-F251 HydrophobicContact CD2-CG 4.18Å; L249-F251 HydrophobicContact CD2-CZ 4.19Å; F251-C253 PolarHBondContact O-N 3.46Å; F251-R256 WeakPolarHBondContact O-CA 3.31Å; F251-H257 HydrophobicContact CD2-CB 4.45Å; F251-H257 PolarHBondContact N-O 3.13Å; F251-I259 HydrophobicContact CD2-CG2 4.2Å; F251-I259 HydrophobicContact CE2-CB 4.05Å; F251-I259 HydrophobicContact CE2-CD1 4.38Å; F251-I259 HydrophobicContact CE2-CG2 3.53Å; F251-I259 HydrophobicContact CZ-CG2 4.12Å; F251-F264 HydrophobicContact CE1-CE2 4.44Å; F251-F264 HydrophobicContact CZ-CD2 4.26Å; F251-F264 HydrophobicContact CZ-CE2 4.32Å; F251-Y267 HydrophobicContact CZ-CE1 4.49Å; F251-P288 WeakPolarHBondContact CE1-O 3.14Å; F251-C289 HydrophobicContact CB-CB 4.1Å; F251-C289 HydrophobicContact CD1-CB 4.17Å; F251-C289 HydrophobicContact CD2-CB 4.31Å; F251-C289 HydrophobicContact CG-CB 3.95Å; F251-V290 HydrophobicContact CE2-CB 4.35Å; F251-V290 HydrophobicContact CE2-CG1 4.14Å; F251-I298 HydrophobicContact CE1-CD1 4.13Å; F251-I298 HydrophobicContact CE1-CG1 4.36Å
252Q92.4Very high93.2Very high66 Ų6635.4 Ų35.431%0.30819%0.189SC..SBendtrans-84.117.8178.8-62.1-172.1-44.300114L228L228-Q252 HydrophobicContact CD2-CG 3.5Å
253C92.8Very high93.3Very high2 Ų232.3 Ų32.31%0.01417%0.171CC..SBendtrans-68.6165.6172.961.10000111.8F251 S255 R256 H257 C289 C293F251-C253 PolarHBondContact O-N 3.46Å; C253-S255 PolarHBondContact O-N 3.01Å; C253-R256 PolarHBondContact O-N 3.24Å; C253-R256 PolarHBondContact SG-N 2.95Å; C253-H257 PolarHBondContact SG-N 2.93Å; C253-C289 HydrophobicContact CB-CB 4.24Å; C253-C293 HydrophobicContact CB-CB 3.48Å; C253-C293 VanDerWaalsContact CB-CB 3.48Å
254N90.9Very high93.4Very high160 Ų16028.9 Ų28.986%0.85615%0.152SC*.THydrogen-bonded Turntrans-54.5-37.4178-169.754000113R256N254-R256 VanDerWaalsContact C-N 3.32Å
255S89.8Confident93.5Very high33 Ų3326 Ų2623%0.23113%0.134CC..THydrogen-bonded Turntrans-81.8-7.1179-52.40000114.2C253 H257 R402C253-S255 PolarHBondContact O-N 3.01Å; S255-H257 WeakPolarHBondContact CB-NE2 3.44Å; S255-H257 PolarHBondContact O-N 3.09Å; S255-R402 WeakPolarHBondContact O-CB 3.26Å
256R92Very high93.5Very high90 Ų9024.8 Ų24.834%0.3413%0.131SC..  trans46.356.2-173-57.6-69-166.6-157.50.4112.9V250 F251 C253 N254 W403 E404V250-R256 HydrophobicContact CG1-CB 3.89Å; F251-R256 WeakPolarHBondContact O-CA 3.31Å; C253-R256 PolarHBondContact O-N 3.24Å; C253-R256 PolarHBondContact SG-N 2.95Å; N254-R256 VanDerWaalsContact C-N 3.32Å; R256-W403 HydrophobicContact CB-CB 3.73Å; R256-W403 WeakPolarHBondContact O-CB 3.37Å; R256-W403 PolarHBondContact O-N 2.66Å; R256-E404 HydrophobicContact CB-CG 4.49Å; R256-E404 HydrophobicContact CG-CG 3.97Å; R256-E404 VanDerWaalsContact CG-OE1 3.24Å; R256-E404 WeakPolarHBondContact CG-OE1 3.18Å; R256-E404 IonicContact NE-OE1 3.65Å; R256-E404 PolarHBondContact NE-OE1 3.29Å; R256-E404 VanDerWaalsContact NE-OE1 3.1Å
257H94.2Very high93.6Very high9 Ų923.9 Ų23.94%0.04212%0.122CC..BIsolated β-bridgetrans-62.8138.3-176.6-70.2135.8000112.1I239 F251 C253 S255 C289 C293 A398 A401I239-H257 HydrophobicContact CD1-CB 3.69Å; F251-H257 HydrophobicContact CD2-CB 4.45Å; F251-H257 PolarHBondContact N-O 3.13Å; C253-H257 PolarHBondContact SG-N 2.93Å; S255-H257 WeakPolarHBondContact CB-NE2 3.44Å; S255-H257 PolarHBondContact O-N 3.09Å; H257-C289 PolarHBondContact ND1-SG 3.25Å; H257-C293 VanDerWaalsContact CE1-SG 3.52Å; H257-C293 PolarHBondContact ND1-SG 3.21Å; H257-A398 PolarHBondContact CD2-O 3.32Å; H257-A398 PolarHBondContact NE2-O 2.74Å; H257-A401 CarbonylContact C-O 3.56Å; H257-A401 VanDerWaalsContact CA-O 3.29Å; H257-A401 WeakPolarHBondContact CA-O 3.38Å
258V94.8Very high93.6Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-101.9130.6-176-178.50000110.3I236 I239 V248 V250 A401 W403I236-V258 HydrophobicContact CB-CG1 4.47Å; I236-V258 HydrophobicContact CB-CG2 4.28Å; I236-V258 HydrophobicContact CG2-CB 3.95Å; I236-V258 HydrophobicContact CG2-CG1 4.31Å; I236-V258 HydrophobicContact CG2-CG2 3.73Å; I239-V258 WeakPolarHBondContact CB-O 3.32Å; I239-V258 VanDerWaalsContact CG2-O 3.26Å; I239-V258 WeakPolarHBondContact CG2-O 3.3Å; I239-V258 PolarHBondContact N-O 2.89Å; V248-V258 HydrophobicContact CB-CG1 3.52Å; V248-V258 HydrophobicContact CG1-CG1 3.83Å; V248-V258 HydrophobicContact CG2-CG1 3.55Å; V250-V258 HydrophobicContact CG2-CG2 4.43Å; V258-A401 WeakPolarHBondContact CG2-O 3.46Å; V258-A401 PolarHBondContact N-O 3.32Å; V258-W403 HydrophobicContact CG2-CB 3.93Å; V258-W403 HydrophobicContact CG2-CD2 4.48Å; V258-W403 HydrophobicContact CG2-CE3 3.77Å
259I95.6Very high93.4Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-130.5138.1175.1-166.9170.1000110.3I239 L249 F251 C263 F264 V290I239-I259 HydrophobicContact CG2-CB 3.99Å; I239-I259 HydrophobicContact CG2-CD1 4.41Å; I239-I259 HydrophobicContact CG2-CG1 4.15Å; L249-I259 HydrophobicContact CB-CG2 3.89Å; L249-I259 HydrophobicContact CD2-CG2 3.91Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 3.46Å; L249-I259 PolarHBondContact O-N 3Å; F251-I259 HydrophobicContact CD2-CG2 4.2Å; F251-I259 HydrophobicContact CE2-CB 4.05Å; F251-I259 HydrophobicContact CE2-CD1 4.38Å; F251-I259 HydrophobicContact CE2-CG2 3.53Å; F251-I259 HydrophobicContact CZ-CG2 4.12Å; I259-C263 HydrophobicContact CD1-CB 3.94Å; I259-C263 HydrophobicContact CG1-CB 3.69Å; I259-F264 HydrophobicContact CD1-CB 4.36Å; I259-F264 HydrophobicContact CG1-CB 4.48Å; I259-F264 HydrophobicContact CG2-CB 4.16Å; I259-F264 HydrophobicContact CG2-CD2 4.15Å; I259-V290 HydrophobicContact CD1-CB 4.46Å; I259-V290 HydrophobicContact CD1-CG1 4.26Å
260C95.3Very high93.1Very high2 Ų223 Ų231%0.01412%0.117CC..EExtended strand (participates in β ladder)trans-72.5155.8173.674.70000110.8C238 R245 D262 C263 F264C238-C260 HydrophobicContact CB-CB 4.22Å; C238-C260 PolarHBondContact SG-N 3.25Å; C238-C260 VanDerWaalsContact SG-SG 3.68Å; R245-C260 HydrophobicContact CB-CB 3.74Å; R245-C260 HydrophobicContact CG-CB 3.89Å; C260-D262 PolarHBondContact O-N 3.32Å; C260-C263 PolarHBondContact O-N 3.44Å; C260-C263 PolarHBondContact SG-N 3.41Å; C260-C263 VanDerWaalsContact SG-N 3.36Å; C260-C263 PolarHBondContact SG-SG 3.22Å; C260-F264 WeakPolarHBondContact O-CB 3.44Å; C260-F264 PolarHBondContact O-N 3.44Å
261L94.6Very high92.9Very high28 Ų2823.5 Ų23.515%0.14712%0.117CC..Hα-helixtrans-65.1-23.2-177.4-59.8-169.8000113.7R72 V157 I229 P247 L249 H265 I306R72-L261 PolarHBondContact NH1-O 3.38Å; R72-L261 PolarHBondContact NH2-O 2.99Å; V157-L261 HydrophobicContact CB-CD1 4.42Å; V157-L261 HydrophobicContact CG1-CD1 4.4Å; V157-L261 HydrophobicContact CG2-CD1 4.29Å; I229-L261 HydrophobicContact CD1-CD1 4.46Å; I229-L261 HydrophobicContact CD1-CD2 3.99Å; I229-L261 HydrophobicContact CG1-CD2 4.31Å; P247-L261 HydrophobicContact CG-CD1 3.75Å; P247-L261 HydrophobicContact CG-CG 4.39Å; L249-L261 HydrophobicContact CB-CD2 4.21Å; L261-H265 PolarHBondContact O-N 3.36Å; L261-I306 HydrophobicContact CD2-CD1 4.25Å
262D92.3Very high92.7Very high22 Ų2223.7 Ų23.712%0.11812%0.118CC..Hα-helixtrans-71.2-51.7175-64-51.5000110.9R72 C260 F264 H265 L266R72-D262 IonicContact CZ-OD1 3.49Å; R72-D262 IonicContact NE-OD1 3.24Å; R72-D262 PolarHBondContact NE-OD1 3.5Å; R72-D262 IonicContact NH2-OD1 2.83Å; R72-D262 PolarHBondContact NH2-OD1 2.94Å; C260-D262 PolarHBondContact O-N 3.32Å; D262-F264 VanDerWaalsContact C-N 3.3Å; D262-F264 PolarHBondContact O-N 3.49Å; D262-H265 PolarHBondContact O-N 2.97Å; D262-L266 WeakPolarHBondContact O-CG 3.32Å; D262-L266 PolarHBondContact O-N 3.05Å
263C93.2Very high92.4Very high11 Ų1120.6 Ų20.67%0.07410%0.103CC..Hα-helixtrans-63.2-36.7175.3-71.10000112T240 C241 I259 C260 H265 L266 Y267T240-C263 HydrophobicContact CG2-CB 4.38Å; C241-C263 VanDerWaalsContact SG-SG 3.69Å; I259-C263 HydrophobicContact CD1-CB 3.94Å; I259-C263 HydrophobicContact CG1-CB 3.69Å; C260-C263 PolarHBondContact O-N 3.44Å; C260-C263 PolarHBondContact SG-N 3.41Å; C260-C263 VanDerWaalsContact SG-N 3.36Å; C260-C263 PolarHBondContact SG-SG 3.22Å; C263-H265 PolarHBondContact O-N 2.67Å; C263-L266 PolarHBondContact O-N 3.14Å; C263-Y267 VanDerWaalsContact O-CB 3.32Å; C263-Y267 WeakPolarHBondContact O-CB 3.4Å; C263-Y267 PolarHBondContact O-N 3.22Å
264F95Very high92.2Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-61.3-43.8176.7-178.4-98.9000112.1L249 F251 I259 C260 D262 Y267 C268 I298 F304 I306L249-F264 HydrophobicContact CD1-CD1 4.38Å; L249-F264 HydrophobicContact CD1-CD2 3.95Å; L249-F264 HydrophobicContact CD1-CE1 4.21Å; L249-F264 HydrophobicContact CD1-CE2 3.8Å; L249-F264 HydrophobicContact CD1-CG 4.22Å; L249-F264 HydrophobicContact CD1-CZ 3.91Å; L249-F264 HydrophobicContact CD2-CD2 4.33Å; L249-F264 HydrophobicContact CD2-CE2 4.35Å; F251-F264 HydrophobicContact CE1-CE2 4.44Å; F251-F264 HydrophobicContact CZ-CD2 4.26Å; F251-F264 HydrophobicContact CZ-CE2 4.32Å; I259-F264 HydrophobicContact CD1-CB 4.36Å; I259-F264 HydrophobicContact CG1-CB 4.48Å; I259-F264 HydrophobicContact CG2-CB 4.16Å; I259-F264 HydrophobicContact CG2-CD2 4.15Å; C260-F264 WeakPolarHBondContact O-CB 3.44Å; C260-F264 PolarHBondContact O-N 3.44Å; D262-F264 VanDerWaalsContact C-N 3.3Å; D262-F264 PolarHBondContact O-N 3.49Å; F264-Y267 WeakPolarHBondContact O-CB 3.48Å; F264-Y267 PolarHBondContact O-N 3.14Å; F264-C268 VanDerWaalsContact CE1-SG 3.5Å; F264-C268 WeakPolarHBondContact CZ-SG 3.44Å; F264-C268 PolarHBondContact O-N 3.48Å; F264-C268 PolarHBondContact O-SG 3.32Å; F264-I298 HydrophobicContact CE2-CD1 3.65Å; F264-I298 HydrophobicContact CZ-CD1 3.71Å; F264-F304 HydrophobicContact CZ-CD1 4.47Å; F264-F304 HydrophobicContact CZ-CE1 4.3Å; F264-I306 HydrophobicContact CD1-CD1 3.5Å; F264-I306 HydrophobicContact CD1-CG1 4.05Å; F264-I306 HydrophobicContact CE1-CD1 3.53Å; F264-I306 HydrophobicContact CE1-CG1 3.96Å
265H93.3Very high92.1Very high12 Ų1216.5 Ų16.56%0.0568%0.078CC..Hα-helixtrans-68.1-39.8176.6176.2-59.2000112.7R72 L261 D262 C263 Y267 C268 V269 L307R72-H265 PolarHBondContact NH1-CD2 2.73Å; L261-H265 PolarHBondContact O-N 3.36Å; D262-H265 PolarHBondContact O-N 2.97Å; C263-H265 PolarHBondContact O-N 2.67Å; H265-Y267 VanDerWaalsContact C-N 3.28Å; H265-Y267 PolarHBondContact O-N 2.77Å; H265-C268 PolarHBondContact O-N 3.31Å; H265-V269 WeakPolarHBondContact O-CG2 3.41Å; H265-V269 PolarHBondContact O-N 2.82Å; H265-L307 HydrophobicContact CB-CD2 3.87Å; H265-L307 PolarHBondContact NE2-O 3.43Å
266L91.5Very high92.1Very high14 Ų1418.5 Ų18.57%0.0738%0.084CC..Hα-helixtrans-57.7-46.9173-69.1-160.9000110.6I44 V70 D262 C263 C268 V269 T270I44-L266 HydrophobicContact CD1-CB 3.76Å; I44-L266 HydrophobicContact CD1-CD1 3.76Å; I44-L266 HydrophobicContact CD1-CD2 3.84Å; I44-L266 HydrophobicContact CD1-CG 3.95Å; I44-L266 HydrophobicContact CG1-CD1 4.04Å; V70-L266 HydrophobicContact CB-CD2 4.16Å; V70-L266 HydrophobicContact CG1-CD2 4.12Å; D262-L266 WeakPolarHBondContact O-CG 3.32Å; D262-L266 PolarHBondContact O-N 3.05Å; C263-L266 PolarHBondContact O-N 3.14Å; L266-C268 PolarHBondContact O-N 3.07Å; L266-V269 PolarHBondContact O-N 3.29Å; L266-T270 WeakPolarHBondContact O-CG2 3.28Å; L266-T270 PolarHBondContact O-N 3.43Å; L266-T270 PolarHBondContact O-OG1 3.27Å
267Y93.5Very high92.1Very high12 Ų1214.9 Ų14.95%0.0477%0.07CC..Hα-helixtrans-57.8-47.8176.7172-118000112.5F251 C263 F264 H265 T270 R271 L287 P288 V290F251-Y267 HydrophobicContact CZ-CE1 4.49Å; C263-Y267 VanDerWaalsContact O-CB 3.32Å; C263-Y267 WeakPolarHBondContact O-CB 3.4Å; C263-Y267 PolarHBondContact O-N 3.22Å; F264-Y267 WeakPolarHBondContact O-CB 3.48Å; F264-Y267 PolarHBondContact O-N 3.14Å; H265-Y267 VanDerWaalsContact C-N 3.28Å; H265-Y267 PolarHBondContact O-N 2.77Å; Y267-T270 PolarHBondContact O-OG1 2.92Å; Y267-R271 HydrophobicContact CD2-CG 4.01Å; Y267-R271 HydrophobicContact CE2-CG 3.75Å; Y267-R271 WeakPolarHBondContact O-CB 3.37Å; Y267-R271 WeakPolarHBondContact O-CG 3.5Å; Y267-R271 PolarHBondContact O-N 3.34Å; Y267-R271 VanDerWaalsContact O-N 3.1Å; Y267-L287 HydrophobicContact CD1-CD1 4.13Å; Y267-L287 HydrophobicContact CE1-CB 3.85Å; Y267-L287 HydrophobicContact CE1-CD1 3.73Å; Y267-L287 HydrophobicContact CE1-CG 4.27Å; Y267-P288 PolarHBondContact OH-O 2.9Å; Y267-V290 HydrophobicContact CD2-CB 4.44Å; Y267-V290 HydrophobicContact CD2-CG2 3.79Å; Y267-V290 HydrophobicContact CE2-CB 4.33Å; Y267-V290 HydrophobicContact CE2-CG2 3.95Å; Y267-V290 HydrophobicContact CG-CG2 4.22Å
268C93.3Very high92Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-64.9-44.2178.8-64.50000112.6F264 H265 L266 R271 L272 L287 L307F264-C268 VanDerWaalsContact CE1-SG 3.5Å; F264-C268 WeakPolarHBondContact CZ-SG 3.44Å; F264-C268 PolarHBondContact O-N 3.48Å; F264-C268 PolarHBondContact O-SG 3.32Å; H265-C268 PolarHBondContact O-N 3.31Å; L266-C268 PolarHBondContact O-N 3.07Å; C268-R271 PolarHBondContact O-N 3.24Å; C268-L272 WeakPolarHBondContact O-CG 3.47Å; C268-L272 PolarHBondContact O-N 3.41Å; C268-L287 HydrophobicContact CB-CD1 4.29Å; C268-L307 HydrophobicContact CB-CD1 3.58Å; C268-L307 HydrophobicContact CB-CD2 3.55Å; C268-L307 HydrophobicContact CB-CG 4.19Å
269V91.4Very high91.9Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-68.7-39.6-177.2176.90000111.5V70 H265 L266 R271 L272 N273 Q311V70-V269 HydrophobicContact CB-CG1 4.35Å; V70-V269 HydrophobicContact CG1-CB 4.12Å; V70-V269 HydrophobicContact CG1-CG1 3.91Å; V70-V269 HydrophobicContact CG1-CG2 4.2Å; V70-V269 HydrophobicContact CG2-CB 4.06Å; V70-V269 HydrophobicContact CG2-CG1 3.58Å; H265-V269 WeakPolarHBondContact O-CG2 3.41Å; H265-V269 PolarHBondContact O-N 2.82Å; L266-V269 PolarHBondContact O-N 3.29Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-L272 PolarHBondContact O-N 3.23Å; V269-N273 PolarHBondContact O-N 3.31Å; V269-N273 PolarHBondContact O-ND2 2.9Å; V269-N273 PolarHBondContact O-OD1 3.16Å; V269-Q311 HydrophobicContact CG2-CB 4.49Å; V269-Q311 HydrophobicContact CG2-CG 4.07Å
270T89.7Confident91.8Very high4 Ų425 Ų253%0.02512%0.123CC..Hα-helixtrans-62.6-43.1174.253.40000111.1I44 H68 L266 Y267 L272 N273 D274I44-T270 HydrophobicContact CB-CG2 4.17Å; I44-T270 HydrophobicContact CD1-CG2 3.49Å; I44-T270 VanDerWaalsContact CD1-CG2 3.49Å; I44-T270 HydrophobicContact CG1-CG2 4.46Å; I44-T270 HydrophobicContact CG2-CG2 3.94Å; H68-T270 HydrophobicContact CB-CG2 3.99Å; L266-T270 WeakPolarHBondContact O-CG2 3.28Å; L266-T270 PolarHBondContact O-N 3.43Å; L266-T270 PolarHBondContact O-OG1 3.27Å; Y267-T270 PolarHBondContact O-OG1 2.92Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 2.67Å; T270-N273 PolarHBondContact O-N 3.43Å; T270-N273 VanDerWaalsContact O-N 3.16Å; T270-D274 WeakPolarHBondContact O-CB 3.34Å; T270-D274 PolarHBondContact O-N 3.19Å
271R91.2Very high91.5Very high27 Ų2730.3 Ų30.310%0.10216%0.158CC..Hα-helixtrans-67.7-29.8176.5-63.1-64.1167-133.7-13.2114.1Y267 C268 V269 D274 R275 Q276 F277 L287 Y391Y267-R271 HydrophobicContact CD2-CG 4.01Å; Y267-R271 HydrophobicContact CE2-CG 3.75Å; Y267-R271 WeakPolarHBondContact O-CB 3.37Å; Y267-R271 WeakPolarHBondContact O-CG 3.5Å; Y267-R271 PolarHBondContact O-N 3.34Å; Y267-R271 VanDerWaalsContact O-N 3.1Å; C268-R271 PolarHBondContact O-N 3.24Å; V269-R271 VanDerWaalsContact C-N 3.34Å; R271-D274 IonicContact NH1-OD2 3.61Å; R271-R275 PolarHBondContact O-N 3.2Å; R271-Q276 PolarHBondContact O-N 3.36Å; R271-F277 HydrophobicContact CB-CD2 4.09Å; R271-F277 HydrophobicContact CB-CE2 3.86Å; R271-L287 HydrophobicContact CB-CD1 3.99Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.19Å; R271-L287 HydrophobicContact CG-CD2 3.85Å; R271-Y391 VanDerWaalsContact NH2-CG 3.25Å
272L89.1Confident91.3Very high6 Ų638.3 Ų38.33%0.03119%0.194CC..Hα-helixtrans-65.9-44.5170.7-77.7173.6000110.4C268 V269 T270 R275 F277 Y315 Y318C268-L272 WeakPolarHBondContact O-CG 3.47Å; C268-L272 PolarHBondContact O-N 3.41Å; V269-L272 PolarHBondContact O-N 3.23Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 2.67Å; L272-R275 PolarHBondContact O-N 3.06Å; L272-F277 HydrophobicContact CB-CE2 4.25Å; L272-F277 HydrophobicContact CD2-CD2 3.98Å; L272-F277 HydrophobicContact CD2-CE2 3.43Å; L272-F277 VanDerWaalsContact CD2-CE2 3.43Å; L272-F277 HydrophobicContact CD2-CZ 3.73Å; L272-F277 HydrophobicContact CG-CD2 4.39Å; L272-F277 HydrophobicContact CG-CE2 3.49Å; L272-F277 VanDerWaalsContact CG-CE2 3.49Å; L272-F277 HydrophobicContact CG-CZ 3.87Å; L272-Y315 HydrophobicContact CD2-CD2 4.48Å; L272-Y318 HydrophobicContact CD2-CD2 3.82Å; L272-Y318 HydrophobicContact CD2-CE2 4.38Å
273N88.1Confident91.1Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-66.6-41.7178.4-62.1-19.1000111.6R6 S10 V269 T270 R275 R314R6-N273 HydrophobicContact CB-CB 4.37Å; S10-N273 VanDerWaalsContact CA-O 3.28Å; S10-N273 WeakPolarHBondContact CA-O 3.43Å; V269-N273 PolarHBondContact O-N 3.31Å; V269-N273 PolarHBondContact O-ND2 2.9Å; V269-N273 PolarHBondContact O-OD1 3.16Å; T270-N273 PolarHBondContact O-N 3.43Å; T270-N273 VanDerWaalsContact O-N 3.16Å; N273-R275 PolarHBondContact O-N 3.03Å; N273-R314 PolarHBondContact OD1-NH1 3.29Å; N273-R314 PolarHBondContact OD1-NH2 3.48Å
274D87.9Confident91Very high31 Ų3140 Ų4017%0.16621%0.208CC..THydrogen-bonded Turntrans-76-8178.3-72.3-26.8000114R6 H68 T270 R271 Q276R6-D274 IonicContact NH1-OD1 3.36Å; R6-D274 PolarHBondContact NH1-OD1 3.15Å; H68-D274 IonicContact CE1-OD1 2.94Å; H68-D274 PolarHBondContact CE1-OD1 3.41Å; H68-D274 IonicContact CE1-OD2 3.79Å; H68-D274 IonicContact NE2-OD1 2.72Å; H68-D274 PolarHBondContact NE2-OD1 3.18Å; H68-D274 IonicContact NE2-OD2 3.51Å; H68-D274 PolarHBondContact NE2-OD2 3.39Å; T270-D274 WeakPolarHBondContact O-CB 3.34Å; T270-D274 PolarHBondContact O-N 3.19Å; R271-D274 IonicContact NH1-OD2 3.61Å; D274-Q276 VanDerWaalsContact C-N 3.3Å; D274-Q276 HydrophobicContact CB-CB 4.33Å; D274-Q276 HydrophobicContact CB-CG 3.93Å; D274-Q276 PolarHBondContact O-N 3.43Å
275R88.9Confident91Very high46 Ų4641.8 Ų41.817%0.17422%0.215CC..THydrogen-bonded Turntrans52.947.3-172.1-50.9-167.968.878.32.8112.8R271 L272 N273 Y318 E321 E322 L325R271-R275 PolarHBondContact O-N 3.2Å; L272-R275 PolarHBondContact O-N 3.06Å; N273-R275 PolarHBondContact O-N 3.03Å; R275-Y318 WeakPolarHBondContact CA-OH 3.45Å; R275-Y318 HydrophobicContact CB-CE2 4.37Å; R275-Y318 PolarHBondContact O-OH 2.9Å; R275-E321 IonicContact CZ-OE2 3.37Å; R275-E321 IonicContact NH1-OE2 2.67Å; R275-E321 PolarHBondContact NH1-OE2 3.33Å; R275-E321 VanDerWaalsContact NH2-CB 3.27Å; R275-E321 IonicContact NH2-OE2 3.72Å; R275-E322 IonicContact CZ-OE1 3.19Å; R275-E322 IonicContact NE-OE1 3.49Å; R275-E322 PolarHBondContact NE-OE1 3.33Å; R275-E322 IonicContact NH2-OE1 3.03Å; R275-E322 PolarHBondContact NH2-OE1 3.47Å; R275-L325 VanDerWaalsContact NE-CD1 3.26Å
276Q89.8Confident91.1Very high75 Ų7541.2 Ų41.235%0.3521%0.212SC..  trans-113.131.1-178.4-73-171.4-22.800113.3R271 D274 Y318R271-Q276 PolarHBondContact O-N 3.36Å; D274-Q276 VanDerWaalsContact C-N 3.3Å; D274-Q276 HydrophobicContact CB-CB 4.33Å; D274-Q276 HydrophobicContact CB-CG 3.93Å; D274-Q276 PolarHBondContact O-N 3.43Å; Q276-Y318 PolarHBondContact N-OH 3.23Å
277F91.8Very high91.2Very high14 Ų1440.6 Ų40.66%0.06121%0.209CC..PPolyproline II helixtrans-73.2139.8166.1-85.5-115.2000109.9R271 L272 Y285 L287 F304 Y315 Y318R271-F277 HydrophobicContact CB-CD2 4.09Å; R271-F277 HydrophobicContact CB-CE2 3.86Å; L272-F277 HydrophobicContact CB-CE2 4.25Å; L272-F277 HydrophobicContact CD2-CD2 3.98Å; L272-F277 HydrophobicContact CD2-CE2 3.43Å; L272-F277 VanDerWaalsContact CD2-CE2 3.43Å; L272-F277 HydrophobicContact CD2-CZ 3.73Å; L272-F277 HydrophobicContact CG-CD2 4.39Å; L272-F277 HydrophobicContact CG-CE2 3.49Å; L272-F277 VanDerWaalsContact CG-CE2 3.49Å; L272-F277 HydrophobicContact CG-CZ 3.87Å; F277-Y285 HydrophobicContact CB-CD1 4.17Å; F277-L287 HydrophobicContact CD1-CD2 4.35Å; F277-L287 HydrophobicContact CD1-CG 3.94Å; F277-L287 HydrophobicContact CD2-CD1 4.44Å; F277-L287 HydrophobicContact CD2-CD2 4.06Å; F277-L287 HydrophobicContact CD2-CG 4.26Å; F277-L287 HydrophobicContact CE1-CD1 3.94Å; F277-L287 HydrophobicContact CE1-CG 3.75Å; F277-L287 HydrophobicContact CE2-CD1 3.78Å; F277-L287 HydrophobicContact CE2-CD2 4.21Å; F277-L287 HydrophobicContact CE2-CG 4.05Å; F277-L287 HydrophobicContact CG-CD2 4.12Å; F277-L287 HydrophobicContact CG-CG 4.2Å; F277-L287 HydrophobicContact CZ-CD1 3.51Å; F277-L287 HydrophobicContact CZ-CD2 4.46Å; F277-L287 HydrophobicContact CZ-CG 3.81Å; F277-F304 HydrophobicContact CE1-CD1 4.4Å; F277-F304 AromaticContact CE1-CE1 3.97Å; F277-F304 HydrophobicContact CE1-CE1 3.97Å; F277-F304 HydrophobicContact CE1-CZ 4.11Å; F277-F304 HydrophobicContact CZ-CE1 4.37Å; F277-Y315 AromaticContact CD1-CD2 3.95Å; F277-Y315 HydrophobicContact CD1-CD2 3.95Å; F277-Y315 AromaticContact CD1-CE2 3.79Å; F277-Y315 HydrophobicContact CD1-CE2 3.79Å; F277-Y315 AromaticContact CE1-CD2 3.42Å; F277-Y315 HydrophobicContact CE1-CD2 3.42Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.42Å; F277-Y315 AromaticContact CE1-CE2 3.5Å; F277-Y315 HydrophobicContact CE1-CE2 3.5Å; F277-Y315 HydrophobicContact CZ-CD2 4.03Å; F277-Y318 HydrophobicContact CB-CD1 4.29Å; F277-Y318 HydrophobicContact CB-CE1 3.73Å; F277-Y318 HydrophobicContact CB-CE2 4.25Å; F277-Y318 HydrophobicContact CD2-CE2 4.16Å; F277-Y318 HydrophobicContact CG-CE2 4.43Å; F277-Y318 PolarHBondContact N-OH 3.3Å
278V92.6Very high91.3Very high65 Ų6541.4 Ų41.439%0.39422%0.215SC..EExtended strand (participates in β ladder)trans-90.4124.2-179.7-178.30000108.5Y285 S286 P288 L297V278-Y285 WeakPolarHBondContact O-CA 3.39Å; V278-S286 PolarHBondContact N-O 3.03Å; V278-S286 PolarHBondContact O-N 3.32Å; V278-P288 HydrophobicContact CG2-CG 4.47Å; V278-L297 HydrophobicContact CB-CD2 3.96Å; V278-L297 HydrophobicContact CG1-CD1 4.49Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å; V278-L297 HydrophobicContact CG2-CD2 4.5Å
279H92.5Very high91.4Very high105 Ų10541.4 Ų41.449%0.48622%0.216SC..EExtended strand (participates in β ladder)trans-82.4121.5173-179.5-106.3000110.4Y285H279-Y285 HydrophobicContact CB-CD1 3.97Å; H279-Y285 HydrophobicContact CB-CE1 3.66Å; H279-Y285 AromaticContact CD2-CE2 3.7Å; H279-Y285 AromaticContact CD2-CZ 3.75Å
280D92.1Very high91.4Very high51 Ų5141.8 Ų41.827%0.27322%0.218SC..EExtended strand (participates in β ladder)trans-107129.1167.1176.7-77.7000109.1Q282 L283 G284 L297D280-Q282 PolarHBondContact O-N 3.29Å; D280-Q282 VanDerWaalsContact O-N 3.15Å; D280-Q282 PolarHBondContact OD1-N 3.19Å; D280-L283 HydrophobicContact CB-CB 3.98Å; D280-L283 PolarHBondContact O-N 2.71Å; D280-L283 WeakPolarHBondContact OD1-CB 3.35Å; D280-L283 PolarHBondContact OD1-N 3.5Å; D280-G284 PolarHBondContact N-O 2.85Å; D280-G284 WeakPolarHBondContact O-CA 3.48Å; D280-G284 PolarHBondContact O-N 3.31Å; D280-L297 HydrophobicContact CB-CD1 3.98Å
281P89.9Confident91.5Very high114 Ų11443.4 Ų43.474%0.7423%0.232SC*.THydrogen-bonded Turntrans-60.6-25.4-174.3-26.234.7000115.8
282Q89.7Confident91.4Very high195 Ų19545 Ų4591%0.91126%0.256SS*.THydrogen-bonded Turntrans-98.5-30.1-177.8-64.8-176.9-3.900112D280D280-Q282 PolarHBondContact O-N 3.29Å; D280-Q282 VanDerWaalsContact O-N 3.15Å; D280-Q282 PolarHBondContact OD1-N 3.19Å
283L89.1Confident91.6Very high47 Ų4745.8 Ų45.825%0.24626%0.262CS..THydrogen-bonded Turntrans-99-31-174.4179.468.6000113.2D280 I298 K299 L301D280-L283 HydrophobicContact CB-CB 3.98Å; D280-L283 PolarHBondContact O-N 2.71Å; D280-L283 WeakPolarHBondContact OD1-CB 3.35Å; D280-L283 PolarHBondContact OD1-N 3.5Å; L283-I298 WeakPolarHBondContact CD2-O 3.38Å; L283-K299 WeakPolarHBondContact CD1-O 3.42Å; L283-L301 HydrophobicContact CD1-CD1 4.44Å; L283-L301 HydrophobicContact CD1-CD2 4.1Å; L283-L301 HydrophobicContact CD1-CG 4.14Å; L283-L301 HydrophobicContact CD2-CD2 4.32Å; L283-L301 HydrophobicContact CG-CD2 4.08Å; L283-L301 WeakPolarHBondContact O-CD1 3.4Å
284G91.6Very high91.7Very high22 Ų2251 Ų5123%0.22730%0.296CS..EExtended strand (participates in β ladder)trans94.2-151.2-169.200000112.6D280D280-G284 PolarHBondContact N-O 2.85Å; D280-G284 WeakPolarHBondContact O-CA 3.48Å; D280-G284 PolarHBondContact O-N 3.31Å
285Y93.8Very high91.9Very high37 Ų3757.3 Ų57.315%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-84.1125-177.3-69.1-87.5000112F277 V278 H279 Y315 Y318 E322F277-Y285 HydrophobicContact CB-CD1 4.17Å; V278-Y285 WeakPolarHBondContact O-CA 3.39Å; H279-Y285 HydrophobicContact CB-CD1 3.97Å; H279-Y285 HydrophobicContact CB-CE1 3.66Å; H279-Y285 AromaticContact CD2-CE2 3.7Å; H279-Y285 AromaticContact CD2-CZ 3.75Å; Y285-Y315 WeakPolarHBondContact O-CE2 3.47Å; Y285-Y315 PolarHBondContact O-OH 3.22Å; Y285-Y318 AromaticContact CD1-CD1 3.6Å; Y285-Y318 HydrophobicContact CD1-CD1 3.6Å; Y285-Y318 AromaticContact CD1-CE1 3.48Å; Y285-Y318 HydrophobicContact CD1-CE1 3.48Å; Y285-Y318 VanDerWaalsContact CD1-CE1 3.48Å; Y285-Y318 HydrophobicContact CD2-CD1 4.25Å; Y285-Y318 AromaticContact CE1-CD1 3.9Å; Y285-Y318 HydrophobicContact CE1-CD1 3.9Å; Y285-Y318 AromaticContact CE1-CE1 3.63Å; Y285-Y318 HydrophobicContact CE1-CE1 3.63Å; Y285-Y318 AromaticContact CG-CD1 3.78Å; Y285-Y318 HydrophobicContact CG-CD1 3.78Å; Y285-Y318 HydrophobicContact CG-CE1 4.15Å; Y285-E322 HydrophobicContact CE1-CB 4.46Å; Y285-E322 HydrophobicContact CE1-CG 3.94Å; Y285-E322 VanDerWaalsContact OH-CB 3.26Å; Y285-E322 WeakPolarHBondContact OH-CB 3.48Å
286S95Very high92.1Very high0 Ų055.2 Ų55.20%032%0.322CS..EExtended strand (participates in β ladder)trans-144.5179.8179.1-167.80000111.6V278 I298V278-S286 PolarHBondContact N-O 3.03Å; V278-S286 PolarHBondContact O-N 3.32Å; S286-I298 PolarHBondContact OG-N 3.47Å; S286-I298 PolarHBondContact OG-O 2.81Å
287L95.1Very high92.3Very high1 Ų153.3 Ų53.31%0.00531%0.314CS..  trans-123139.7176.2-74.1174.5000110.9Y267 C268 R271 F277 I298 F304Y267-L287 HydrophobicContact CD1-CD1 4.13Å; Y267-L287 HydrophobicContact CE1-CB 3.85Å; Y267-L287 HydrophobicContact CE1-CD1 3.73Å; Y267-L287 HydrophobicContact CE1-CG 4.27Å; C268-L287 HydrophobicContact CB-CD1 4.29Å; R271-L287 HydrophobicContact CB-CD1 3.99Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.19Å; R271-L287 HydrophobicContact CG-CD2 3.85Å; F277-L287 HydrophobicContact CD1-CD2 4.35Å; F277-L287 HydrophobicContact CD1-CG 3.94Å; F277-L287 HydrophobicContact CD2-CD1 4.44Å; F277-L287 HydrophobicContact CD2-CD2 4.06Å; F277-L287 HydrophobicContact CD2-CG 4.26Å; F277-L287 HydrophobicContact CE1-CD1 3.94Å; F277-L287 HydrophobicContact CE1-CG 3.75Å; F277-L287 HydrophobicContact CE2-CD1 3.78Å; F277-L287 HydrophobicContact CE2-CD2 4.21Å; F277-L287 HydrophobicContact CE2-CG 4.05Å; F277-L287 HydrophobicContact CG-CD2 4.12Å; F277-L287 HydrophobicContact CG-CG 4.2Å; F277-L287 HydrophobicContact CZ-CD1 3.51Å; F277-L287 HydrophobicContact CZ-CD2 4.46Å; F277-L287 HydrophobicContact CZ-CG 3.81Å; L287-I298 PolarHBondContact O-N 3.47Å; L287-F304 HydrophobicContact CB-CE1 4.4Å; L287-F304 HydrophobicContact CB-CZ 4.31Å; L287-F304 HydrophobicContact CD1-CE1 4.23Å; L287-F304 HydrophobicContact CG-CE1 4.45Å
288P95.1Very high92.5Very high29 Ų2952.8 Ų52.819%0.18831%0.312CS..  trans-78.1-178.7174.133.6-35.5000111.2F251 Y267 V278 V290 L297F251-P288 WeakPolarHBondContact CE1-O 3.14Å; Y267-P288 PolarHBondContact OH-O 2.9Å; V278-P288 HydrophobicContact CG2-CG 4.47Å; P288-V290 PolarHBondContact O-N 3.44Å; P288-L297 HydrophobicContact CB-CD2 4.11Å
289C94.5Very high92.5Very high1 Ų156.8 Ų56.81%0.00732%0.324CS..  trans-51.8136.6162.9-176.80000110.1F251 C253 H257 A291 G292 C293 S296F251-C289 HydrophobicContact CB-CB 4.1Å; F251-C289 HydrophobicContact CD1-CB 4.17Å; F251-C289 HydrophobicContact CD2-CB 4.31Å; F251-C289 HydrophobicContact CG-CB 3.95Å; C253-C289 HydrophobicContact CB-CB 4.24Å; H257-C289 PolarHBondContact ND1-SG 3.25Å; C289-A291 PolarHBondContact O-N 2.87Å; C289-G292 PolarHBondContact O-N 2.95Å; C289-C293 HydrophobicContact CB-CB 3.95Å; C289-S296 VanDerWaalsContact CB-OG 3.23Å; C289-S296 WeakPolarHBondContact CB-OG 3.09Å; C289-S296 PolarHBondContact N-O 3.08Å; C289-S296 PolarHBondContact N-OG 2.89Å
290V92.5Very high92.5Very high8 Ų854.8 Ų54.85%0.04832%0.315CS..THydrogen-bonded Turntrans-57.3-24.2179.870.10000113.7I239 F251 I259 Y267 P288 G292 Y391 V393I239-V290 HydrophobicContact CD1-CG1 4.18Å; I239-V290 HydrophobicContact CG1-CG1 4.38Å; I239-V290 HydrophobicContact CG2-CG1 3.47Å; I239-V290 VanDerWaalsContact CG2-CG1 3.47Å; F251-V290 HydrophobicContact CE2-CB 4.35Å; F251-V290 HydrophobicContact CE2-CG1 4.14Å; I259-V290 HydrophobicContact CD1-CB 4.46Å; I259-V290 HydrophobicContact CD1-CG1 4.26Å; Y267-V290 HydrophobicContact CD2-CB 4.44Å; Y267-V290 HydrophobicContact CD2-CG2 3.79Å; Y267-V290 HydrophobicContact CE2-CB 4.33Å; Y267-V290 HydrophobicContact CE2-CG2 3.95Å; Y267-V290 HydrophobicContact CG-CG2 4.22Å; P288-V290 PolarHBondContact O-N 3.44Å; V290-G292 VanDerWaalsContact C-N 3.25Å; V290-G292 PolarHBondContact O-N 3.24Å; V290-Y391 HydrophobicContact CG2-CD1 3.99Å; V290-Y391 HydrophobicContact CG2-CE1 3.22Å; V290-Y391 HydrophobicContact CG2-CE2 4.25Å; V290-Y391 WeakPolarHBondContact CG2-OH 3.43Å; V290-V393 HydrophobicContact CG1-CG2 4.33Å; V290-V393 HydrophobicContact CG2-CG2 4.5Å
291A90.9Very high92.5Very high38 Ų3854.3 Ų54.331%0.31431%0.312SS..THydrogen-bonded Turntrans-80.32.9173.600000114.3I239 C289 C293 V393I239-A291 HydrophobicContact CD1-CB 3.98Å; C289-A291 PolarHBondContact O-N 2.87Å; A291-C293 VanDerWaalsContact C-N 3.35Å; A291-C293 PolarHBondContact O-N 2.86Å; A291-V393 HydrophobicContact CB-CG2 4.19Å
292G90.2Very high92.7Very high59 Ų5952.2 Ų52.261%0.60829%0.292SS*.  trans72.423.2-178.600000114.3C289 V290C289-G292 PolarHBondContact O-N 2.95Å; V290-G292 VanDerWaalsContact C-N 3.25Å; V290-G292 PolarHBondContact O-N 3.24Å
293C92Very high92.9Very high24 Ų2443 Ų4316%0.16225%0.249CC..  trans-63.5142.1-179.5-57.70000111.9C253 H257 C289 A291 S296C253-C293 HydrophobicContact CB-CB 3.48Å; C253-C293 VanDerWaalsContact CB-CB 3.48Å; H257-C293 VanDerWaalsContact CE1-SG 3.52Å; H257-C293 PolarHBondContact ND1-SG 3.21Å; C289-C293 HydrophobicContact CB-CB 3.95Å; A291-C293 VanDerWaalsContact C-N 3.35Å; A291-C293 PolarHBondContact O-N 2.86Å; C293-S296 WeakPolarHBondContact O-CB 3.39Å; C293-S296 PolarHBondContact O-OG 3.16Å
294P91.4Very high93.2Very high109 Ų10940.7 Ų40.771%0.70824%0.237SC*.THydrogen-bonded Turntrans-65.4154.6175.128.7-35.3000111.6S296P294-S296 PolarHBondContact O-N 3.44Å; P294-S296 VanDerWaalsContact O-N 3.13Å
295N90.6Very high93.3Very high163 Ų16342.1 Ų42.187%0.87224%0.236SC*.THydrogen-bonded Turntrans51.335.8175.5-61.7-25.3000114.7
296S93.8Very high93.2Very high2 Ų241.3 Ų41.31%0.01423%0.234CC..  trans-117.517-173.369.60000114.1C289 C293 P294C289-S296 VanDerWaalsContact CB-OG 3.23Å; C289-S296 WeakPolarHBondContact CB-OG 3.09Å; C289-S296 PolarHBondContact N-O 3.08Å; C289-S296 PolarHBondContact N-OG 2.89Å; C293-S296 WeakPolarHBondContact O-CB 3.39Å; C293-S296 PolarHBondContact O-OG 3.16Å; P294-S296 PolarHBondContact O-N 3.44Å; P294-S296 VanDerWaalsContact O-N 3.13Å
297L94.8Very high93.1Very high36 Ų3641.7 Ų41.719%0.18824%0.236CC..  trans-60.3137.8174.7-68.2175.8000110.8V278 D280 P288 K299V278-L297 HydrophobicContact CB-CD2 3.96Å; V278-L297 HydrophobicContact CG1-CD1 4.49Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å; V278-L297 HydrophobicContact CG2-CD2 4.5Å; D280-L297 HydrophobicContact CB-CD1 3.98Å; P288-L297 HydrophobicContact CB-CD2 4.11Å; L297-K299 PolarHBondContact O-N 3.09Å; L297-K299 VanDerWaalsContact O-N 3.11Å
298I95Very high92.8Very high2 Ų242.6 Ų42.61%0.0125%0.245CC..  trans-70.5106.7174.8-63.6169.5000108.5L228 F251 F264 L283 S286 L287 E300 H303 F304L228-I298 HydrophobicContact CD1-CG1 4.25Å; L228-I298 HydrophobicContact CD1-CG2 3.91Å; F251-I298 HydrophobicContact CE1-CD1 4.13Å; F251-I298 HydrophobicContact CE1-CG1 4.36Å; F264-I298 HydrophobicContact CE2-CD1 3.65Å; F264-I298 HydrophobicContact CZ-CD1 3.71Å; L283-I298 WeakPolarHBondContact CD2-O 3.38Å; S286-I298 PolarHBondContact OG-N 3.47Å; S286-I298 PolarHBondContact OG-O 2.81Å; L287-I298 PolarHBondContact O-N 3.47Å; I298-E300 WeakPolarHBondContact CG2-O 3.44Å; I298-H303 HydrophobicContact CG2-CB 4.1Å; I298-F304 HydrophobicContact CB-CZ 4.37Å; I298-F304 HydrophobicContact CD1-CE1 4.3Å; I298-F304 HydrophobicContact CD1-CZ 4.11Å
299K93.2Very high92.5Very high150 Ų15046 Ų4665%0.65226%0.259SS*.SBendtrans-73.3-33.4179.7-60.4-177.1-179-176.70113.2L283 L297 L301L283-K299 WeakPolarHBondContact CD1-O 3.42Å; L297-K299 PolarHBondContact O-N 3.09Å; L297-K299 VanDerWaalsContact O-N 3.11Å; K299-L301 PolarHBondContact O-N 3.04Å
300E92Very high92.2Very high62 Ų6250.9 Ų50.929%0.2928%0.281SS..  trans-91.791179.2-179.552-10000109.9H227 I298 H302 H303H227-E300 WeakPolarHBondContact NE2-CB 3.39Å; I298-E300 WeakPolarHBondContact CG2-O 3.44Å; E300-H302 HydrophobicContact CG-CB 4.43Å; E300-H302 PolarHBondContact O-N 3.5Å; E300-H302 VanDerWaalsContact O-N 3.09Å; E300-H302 WeakPolarHBondContact OE1-CB 3.46Å; E300-H302 IonicContact OE1-CE1 3.71Å; E300-H302 IonicContact OE1-CG 3.51Å; E300-H302 PolarHBondContact OE1-N 3.11Å; E300-H302 IonicContact OE1-ND1 3.76Å; E300-H302 PolarHBondContact OE1-ND1 3.19Å; E300-H303 WeakPolarHBondContact CB-ND1 3.4Å; E300-H303 WeakPolarHBondContact O-CB 3.37Å; E300-H303 PolarHBondContact O-N 3.41Å; E300-H303 VanDerWaalsContact O-N 3.09Å; E300-H303 PolarHBondContact O-ND1 3.42Å
301L93.4Very high92.1Very high42 Ų4250.9 Ų50.922%0.2228%0.281CS..G310 helixtrans-63.6-16.6-173.3-55.2-177.2000113.5L283 K299 H303 F304L283-L301 HydrophobicContact CD1-CD1 4.44Å; L283-L301 HydrophobicContact CD1-CD2 4.1Å; L283-L301 HydrophobicContact CD1-CG 4.14Å; L283-L301 HydrophobicContact CD2-CD2 4.32Å; L283-L301 HydrophobicContact CG-CD2 4.08Å; L283-L301 WeakPolarHBondContact O-CD1 3.4Å; K299-L301 PolarHBondContact O-N 3.04Å; L301-H303 PolarHBondContact O-N 3.23Å; L301-H303 VanDerWaalsContact O-N 3.13Å; L301-F304 HydrophobicContact CB-CD2 4.38Å; L301-F304 HydrophobicContact CD2-CD2 4.37Å; L301-F304 HydrophobicContact CD2-CE2 3.92Å; L301-F304 WeakPolarHBondContact O-CD2 3.14Å; L301-F304 PolarHBondContact O-N 2.85Å
302H92.7Very high92.2Very high70 Ų7050 Ų5032%0.32427%0.27SS..G310 helixtrans-61.6-17.8173.3-68.789.6000113.1V224 E300 F304 R305V224-H302 HydrophobicContact CG1-CB 3.74Å; E300-H302 HydrophobicContact CG-CB 4.43Å; E300-H302 PolarHBondContact O-N 3.5Å; E300-H302 VanDerWaalsContact O-N 3.09Å; E300-H302 WeakPolarHBondContact OE1-CB 3.46Å; E300-H302 IonicContact OE1-CE1 3.71Å; E300-H302 IonicContact OE1-CG 3.51Å; E300-H302 PolarHBondContact OE1-N 3.11Å; E300-H302 IonicContact OE1-ND1 3.76Å; E300-H302 PolarHBondContact OE1-ND1 3.19Å; H302-F304 PolarHBondContact O-N 3.14Å; H302-R305 VanDerWaalsContact O-CB 3.3Å; H302-R305 WeakPolarHBondContact O-CB 3.47Å; H302-R305 WeakPolarHBondContact O-CG 3.28Å; H302-R305 PolarHBondContact O-N 3.43Å; H302-R305 VanDerWaalsContact O-N 3.07Å
303H94.5Very high92.2Very high0 Ų051.3 Ų51.30%026%0.263CS..G310 helixtrans-60.8-28171.5-71.483.9000112.8L226 H227 L228 I298 E300 L301 R305 I306L226-H303 WeakPolarHBondContact CA-NE2 3.32Å; H227-H303 AromaticContact CD2-CE1 3.68Å; H227-H303 PolarHBondContact N-NE2 3.05Å; H227-H303 AromaticContact NE2-CE1 3.74Å; L228-H303 WeakPolarHBondContact CB-NE2 3.46Å; L228-H303 PolarHBondContact N-NE2 2.81Å; L228-H303 VanDerWaalsContact N-NE2 3.16Å; I298-H303 HydrophobicContact CG2-CB 4.1Å; E300-H303 WeakPolarHBondContact CB-ND1 3.4Å; E300-H303 WeakPolarHBondContact O-CB 3.37Å; E300-H303 PolarHBondContact O-N 3.41Å; E300-H303 VanDerWaalsContact O-N 3.09Å; E300-H303 PolarHBondContact O-ND1 3.42Å; L301-H303 PolarHBondContact O-N 3.23Å; L301-H303 VanDerWaalsContact O-N 3.13Å; H303-R305 PolarHBondContact O-N 2.86Å; H303-I306 WeakPolarHBondContact O-CG1 3.47Å; H303-I306 WeakPolarHBondContact O-CG2 3.26Å; H303-I306 PolarHBondContact O-N 2.61Å
304F95Very high92.2Very high0 Ų052.4 Ų52.40%026%0.263CS..G310 helixtrans-69.7-13.4176.3-62.9-65.4000113.2F264 F277 L287 I298 L301 H302 I306 L307 Y312 Y315F264-F304 HydrophobicContact CZ-CD1 4.47Å; F264-F304 HydrophobicContact CZ-CE1 4.3Å; F277-F304 HydrophobicContact CE1-CD1 4.4Å; F277-F304 AromaticContact CE1-CE1 3.97Å; F277-F304 HydrophobicContact CE1-CE1 3.97Å; F277-F304 HydrophobicContact CE1-CZ 4.11Å; F277-F304 HydrophobicContact CZ-CE1 4.37Å; L287-F304 HydrophobicContact CB-CE1 4.4Å; L287-F304 HydrophobicContact CB-CZ 4.31Å; L287-F304 HydrophobicContact CD1-CE1 4.23Å; L287-F304 HydrophobicContact CG-CE1 4.45Å; I298-F304 HydrophobicContact CB-CZ 4.37Å; I298-F304 HydrophobicContact CD1-CE1 4.3Å; I298-F304 HydrophobicContact CD1-CZ 4.11Å; L301-F304 HydrophobicContact CB-CD2 4.38Å; L301-F304 HydrophobicContact CD2-CD2 4.37Å; L301-F304 HydrophobicContact CD2-CE2 3.92Å; L301-F304 WeakPolarHBondContact O-CD2 3.14Å; L301-F304 PolarHBondContact O-N 2.85Å; H302-F304 PolarHBondContact O-N 3.14Å; F304-I306 PolarHBondContact O-N 3.48Å; F304-L307 HydrophobicContact CB-CD1 4.45Å; F304-L307 HydrophobicContact CD1-CD1 4.42Å; F304-L307 WeakPolarHBondContact O-CB 3.37Å; F304-L307 WeakPolarHBondContact O-CG 3.32Å; F304-L307 PolarHBondContact O-N 3.46Å; F304-Y312 VanDerWaalsContact C-CD2 3.43Å; F304-Y312 HydrophobicContact CB-CD2 3.97Å; F304-Y312 HydrophobicContact CB-CE2 4.05Å; F304-Y312 WeakPolarHBondContact O-CD2 3.2Å; F304-Y315 HydrophobicContact CB-CD1 3.9Å; F304-Y315 HydrophobicContact CB-CE1 3.96Å; F304-Y315 HydrophobicContact CB-CG 4.36Å; F304-Y315 HydrophobicContact CD2-CD1 4.46Å; F304-Y315 AromaticContact CD2-CE1 3.79Å; F304-Y315 HydrophobicContact CD2-CE1 3.79Å; F304-Y315 HydrophobicContact CD2-CE2 4.02Å; F304-Y315 AromaticContact CD2-CZ 3.53Å; F304-Y315 HydrophobicContact CE2-CE2 4.27Å; F304-Y315 HydrophobicContact CG-CD1 4.36Å; F304-Y315 HydrophobicContact CG-CE1 4.12Å; F304-Y315 HydrophobicContact CG-CE2 4.39Å
305R93.5Very high92.2Very high52 Ų5248.2 Ų48.220%0.19623%0.234CC..G310 helixtrans-64.9-22.2173.9-66.5-173.8175.8-82.6-3112.9Y149 H302 H303 L307 G308 Y312Y149-R305 HydrophobicContact CD1-CB 3.85Å; Y149-R305 HydrophobicContact CD2-CB 4.11Å; Y149-R305 HydrophobicContact CE1-CB 3.98Å; Y149-R305 HydrophobicContact CE2-CB 4.25Å; Y149-R305 WeakPolarHBondContact CE2-O 3.2Å; Y149-R305 HydrophobicContact CG-CB 3.9Å; H302-R305 VanDerWaalsContact O-CB 3.3Å; H302-R305 WeakPolarHBondContact O-CB 3.47Å; H302-R305 WeakPolarHBondContact O-CG 3.28Å; H302-R305 PolarHBondContact O-N 3.43Å; H302-R305 VanDerWaalsContact O-N 3.07Å; H303-R305 PolarHBondContact O-N 2.86Å; R305-L307 PolarHBondContact O-N 3.15Å; R305-L307 VanDerWaalsContact O-N 3.09Å; R305-G308 PolarHBondContact O-N 3.13Å; R305-Y312 HydrophobicContact CB-CD2 4.36Å; R305-Y312 HydrophobicContact CB-CE2 4.46Å; R305-Y312 HydrophobicContact CG-CD1 4.11Å; R305-Y312 HydrophobicContact CG-CD2 3.8Å; R305-Y312 HydrophobicContact CG-CE1 3.86Å; R305-Y312 HydrophobicContact CG-CE2 3.52Å; R305-Y312 HydrophobicContact CG-CG 4.06Å; R305-Y312 PolarHBondContact NE-OH 2.57Å; R305-Y312 PolarHBondContact NH2-OH 2.69Å
306I92.8Very high92.2Very high20 Ų2045.3 Ų45.310%0.10322%0.215CC..G310 helixtrans-66.3-12.3179.378.9-170.7000113.3Y149 V157 L226 I229 L261 F264 H303 F304 G308Y149-I306 HydrophobicContact CD2-CG2 4.42Å; V157-I306 HydrophobicContact CG2-CB 3.7Å; V157-I306 HydrophobicContact CG2-CG2 3.35Å; L226-I306 HydrophobicContact CD1-CG2 3.57Å; L226-I306 HydrophobicContact CD2-CG2 4.46Å; I229-I306 HydrophobicContact CD1-CD1 4.33Å; I229-I306 HydrophobicContact CD1-CG2 4.34Å; L261-I306 HydrophobicContact CD2-CD1 4.25Å; F264-I306 HydrophobicContact CD1-CD1 3.5Å; F264-I306 HydrophobicContact CD1-CG1 4.05Å; F264-I306 HydrophobicContact CE1-CD1 3.53Å; F264-I306 HydrophobicContact CE1-CG1 3.96Å; H303-I306 WeakPolarHBondContact O-CG1 3.47Å; H303-I306 WeakPolarHBondContact O-CG2 3.26Å; H303-I306 PolarHBondContact O-N 2.61Å; F304-I306 PolarHBondContact O-N 3.48Å; I306-G308 PolarHBondContact O-N 2.81Å
307L91.2Very high92Very high8 Ų850.6 Ų50.64%0.04224%0.239CC..G310 helixtrans-70.8-12.2173.6-53.9176.3000112.8H265 C268 F304 R305 Q311H265-L307 HydrophobicContact CB-CD2 3.87Å; H265-L307 PolarHBondContact NE2-O 3.43Å; C268-L307 HydrophobicContact CB-CD1 3.58Å; C268-L307 HydrophobicContact CB-CD2 3.55Å; C268-L307 HydrophobicContact CB-CG 4.19Å; F304-L307 HydrophobicContact CB-CD1 4.45Å; F304-L307 HydrophobicContact CD1-CD1 4.42Å; F304-L307 WeakPolarHBondContact O-CB 3.37Å; F304-L307 WeakPolarHBondContact O-CG 3.32Å; F304-L307 PolarHBondContact O-N 3.46Å; R305-L307 PolarHBondContact O-N 3.15Å; R305-L307 VanDerWaalsContact O-N 3.09Å; L307-Q311 HydrophobicContact CB-CB 3.67Å
308G90Very high91.7Very high20 Ų2049 Ų4921%0.20623%0.231CC..  trans89.3166.2-172.400000112R305 I306 E310 Y312R305-G308 PolarHBondContact O-N 3.13Å; I306-G308 PolarHBondContact O-N 2.81Å; G308-E310 PolarHBondContact O-N 2.81Å; G308-Y312 WeakPolarHBondContact O-CB 3.26Å; G308-Y312 PolarHBondContact O-N 2.91Å
309E89.4Confident91.3Very high101 Ų10150.2 Ų50.247%0.47224%0.244SC..Hα-helixtrans-61.7-45.6-171.2-66.9-176.9173.800112.8Q155 Q311 Y312 N313Q155-E309 VanDerWaalsContact NE2-CD 3.32Å; Q155-E309 PolarHBondContact NE2-OE1 2.81Å; Q155-E309 PolarHBondContact NE2-OE2 2.95Å; E309-Q311 PolarHBondContact O-N 3.36Å; E309-Y312 PolarHBondContact O-N 2.98Å; E309-N313 VanDerWaalsContact O-CB 3.31Å; E309-N313 WeakPolarHBondContact O-CB 3.48Å; E309-N313 PolarHBondContact O-N 3.3Å; E309-N313 PolarHBondContact O-ND2 3.01Å; E309-N313 PolarHBondContact O-OD1 2.89Å
310E88.1Confident91Very high102 Ų10245.7 Ų45.748%0.47724%0.235SC..Hα-helixtrans-58.6-51.8-179-172.4-16717100112.1N8 G308 N313 R314N8-E310 PolarHBondContact ND2-OE1 3.38Å; G308-E310 PolarHBondContact O-N 2.81Å; E310-N313 PolarHBondContact O-N 2.85Å; E310-R314 WeakPolarHBondContact O-CG 3.22Å; E310-R314 PolarHBondContact O-N 2.82Å
311Q90.5Very high90.9Very high8 Ų844.2 Ų44.24%0.03723%0.227CC..Hα-helixtrans-73.4-34.3-177.2-58.3-58.2-36.500111.9N8 V269 L307 E309 R314 Y315N8-Q311 PolarHBondContact ND2-NE2 3.28Å; N8-Q311 PolarHBondContact OD1-NE2 2.86Å; N8-Q311 VanDerWaalsContact OD1-NE2 3.09Å; V269-Q311 HydrophobicContact CG2-CB 4.49Å; V269-Q311 HydrophobicContact CG2-CG 4.07Å; L307-Q311 HydrophobicContact CB-CB 3.67Å; E309-Q311 PolarHBondContact O-N 3.36Å; Q311-R314 PolarHBondContact O-N 2.89Å; Q311-Y315 PolarHBondContact O-N 3.33Å
312Y92.4Very high90.6Very high20 Ų2044 Ų448%0.07823%0.225CC..Hα-helixtrans-66.9-38174.1-175.4-106.7000111.8F304 R305 G308 E309 R314 Y315 Q316F304-Y312 VanDerWaalsContact C-CD2 3.43Å; F304-Y312 HydrophobicContact CB-CD2 3.97Å; F304-Y312 HydrophobicContact CB-CE2 4.05Å; F304-Y312 WeakPolarHBondContact O-CD2 3.2Å; R305-Y312 HydrophobicContact CB-CD2 4.36Å; R305-Y312 HydrophobicContact CB-CE2 4.46Å; R305-Y312 HydrophobicContact CG-CD1 4.11Å; R305-Y312 HydrophobicContact CG-CD2 3.8Å; R305-Y312 HydrophobicContact CG-CE1 3.86Å; R305-Y312 HydrophobicContact CG-CE2 3.52Å; R305-Y312 HydrophobicContact CG-CG 4.06Å; R305-Y312 PolarHBondContact NE-OH 2.57Å; R305-Y312 PolarHBondContact NH2-OH 2.69Å; G308-Y312 WeakPolarHBondContact O-CB 3.26Å; G308-Y312 PolarHBondContact O-N 2.91Å; E309-Y312 PolarHBondContact O-N 2.98Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 2.81Å; Y312-Y315 AromaticContact CD2-CD1 3.84Å; Y312-Y315 HydrophobicContact CD2-CD1 3.84Å; Y312-Y315 AromaticContact CE2-CD1 3.7Å; Y312-Y315 HydrophobicContact CE2-CD1 3.7Å; Y312-Y315 AromaticContact CE2-CE1 3.99Å; Y312-Y315 HydrophobicContact CE2-CE1 3.99Å; Y312-Y315 WeakPolarHBondContact O-CB 3.17Å; Y312-Y315 PolarHBondContact O-N 3.21Å; Y312-Q316 HydrophobicContact CD1-CG 4.1Å; Y312-Q316 HydrophobicContact CE1-CG 3.7Å; Y312-Q316 VanDerWaalsContact CE1-OE1 3.27Å; Y312-Q316 WeakPolarHBondContact O-CG 3.31Å; Y312-Q316 PolarHBondContact O-N 3.12Å
313N90.6Very high90.3Very high87 Ų8743.3 Ų43.347%0.46523%0.228SC..Hα-helixtrans-61.9-42.6174.6-71.4-18.4000111.2E309 E310 Y315 Q316 Q317E309-N313 VanDerWaalsContact O-CB 3.31Å; E309-N313 WeakPolarHBondContact O-CB 3.48Å; E309-N313 PolarHBondContact O-N 3.3Å; E309-N313 PolarHBondContact O-ND2 3.01Å; E309-N313 PolarHBondContact O-OD1 2.89Å; E310-N313 PolarHBondContact O-N 2.85Å; N313-Y315 VanDerWaalsContact C-N 3.33Å; N313-Y315 PolarHBondContact O-N 2.9Å; N313-Q316 PolarHBondContact O-N 3.43Å; N313-Q316 VanDerWaalsContact O-N 3.17Å; N313-Q317 WeakPolarHBondContact O-CG 3.38Å; N313-Q317 PolarHBondContact O-N 2.87Å; N313-Q317 VanDerWaalsContact O-N 3.1Å
314R90.2Very high90.1Very high47 Ų4744.5 Ų44.518%0.17724%0.235CC..Hα-helixtrans-58.2-45172.4-67.5175.364.3-149.7-0.1111.8N8 N273 E310 Q311 Y312 Q316 Q317 Y318N8-R314 PolarHBondContact O-NH2 3.07Å; N273-R314 PolarHBondContact OD1-NH1 3.29Å; N273-R314 PolarHBondContact OD1-NH2 3.48Å; E310-R314 WeakPolarHBondContact O-CG 3.22Å; E310-R314 PolarHBondContact O-N 2.82Å; Q311-R314 PolarHBondContact O-N 2.89Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 2.81Å; R314-Q316 VanDerWaalsContact C-N 3.34Å; R314-Q316 PolarHBondContact O-N 3.47Å; R314-Q317 PolarHBondContact O-N 2.88Å; R314-Y318 PolarHBondContact O-N 3.36Å
315Y92.1Very high89.8Confident21 Ų2147.5 Ų47.58%0.08225%0.251CS..Hα-helixtrans-60.1-40.8174.6164.9-106.2000112.6L272 F277 Y285 F304 Q311 Y312 N313 Q317 Y318L272-Y315 HydrophobicContact CD2-CD2 4.48Å; F277-Y315 AromaticContact CD1-CD2 3.95Å; F277-Y315 HydrophobicContact CD1-CD2 3.95Å; F277-Y315 AromaticContact CD1-CE2 3.79Å; F277-Y315 HydrophobicContact CD1-CE2 3.79Å; F277-Y315 AromaticContact CE1-CD2 3.42Å; F277-Y315 HydrophobicContact CE1-CD2 3.42Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.42Å; F277-Y315 AromaticContact CE1-CE2 3.5Å; F277-Y315 HydrophobicContact CE1-CE2 3.5Å; F277-Y315 HydrophobicContact CZ-CD2 4.03Å; Y285-Y315 WeakPolarHBondContact O-CE2 3.47Å; Y285-Y315 PolarHBondContact O-OH 3.22Å; F304-Y315 HydrophobicContact CB-CD1 3.9Å; F304-Y315 HydrophobicContact CB-CE1 3.96Å; F304-Y315 HydrophobicContact CB-CG 4.36Å; F304-Y315 HydrophobicContact CD2-CD1 4.46Å; F304-Y315 AromaticContact CD2-CE1 3.79Å; F304-Y315 HydrophobicContact CD2-CE1 3.79Å; F304-Y315 HydrophobicContact CD2-CE2 4.02Å; F304-Y315 AromaticContact CD2-CZ 3.53Å; F304-Y315 HydrophobicContact CE2-CE2 4.27Å; F304-Y315 HydrophobicContact CG-CD1 4.36Å; F304-Y315 HydrophobicContact CG-CE1 4.12Å; F304-Y315 HydrophobicContact CG-CE2 4.39Å; Q311-Y315 PolarHBondContact O-N 3.33Å; Y312-Y315 AromaticContact CD2-CD1 3.84Å; Y312-Y315 HydrophobicContact CD2-CD1 3.84Å; Y312-Y315 AromaticContact CE2-CD1 3.7Å; Y312-Y315 HydrophobicContact CE2-CD1 3.7Å; Y312-Y315 AromaticContact CE2-CE1 3.99Å; Y312-Y315 HydrophobicContact CE2-CE1 3.99Å; Y312-Y315 WeakPolarHBondContact O-CB 3.17Å; Y312-Y315 PolarHBondContact O-N 3.21Å; N313-Y315 VanDerWaalsContact C-N 3.33Å; N313-Y315 PolarHBondContact O-N 2.9Å; Y315-Q317 VanDerWaalsContact C-N 3.31Å; Y315-Q317 PolarHBondContact O-N 2.93Å; Y315-Y318 WeakPolarHBondContact O-CB 3.31Å; Y315-Y318 PolarHBondContact O-N 2.81Å
316Q91Very high89.5Confident102 Ų10252 Ų5248%0.47727%0.274SS..Hα-helixtrans-64.9-33.4177.7-70.4-169.7-8500113Y312 N313 R314 Y318Y312-Q316 HydrophobicContact CD1-CG 4.1Å; Y312-Q316 HydrophobicContact CE1-CG 3.7Å; Y312-Q316 VanDerWaalsContact CE1-OE1 3.27Å; Y312-Q316 WeakPolarHBondContact O-CG 3.31Å; Y312-Q316 PolarHBondContact O-N 3.12Å; N313-Q316 PolarHBondContact O-N 3.43Å; N313-Q316 VanDerWaalsContact O-N 3.17Å; R314-Q316 VanDerWaalsContact C-N 3.34Å; R314-Q316 PolarHBondContact O-N 3.47Å; Q316-Y318 VanDerWaalsContact C-N 3.31Å
317Q89.1Confident89.4Confident112 Ų11257.1 Ų57.152%0.52330%0.299SS..Hα-helixtrans-78-16177-63-57.5-35.500113.2N313 R314 Y315 G319 A320 E321N313-Q317 WeakPolarHBondContact O-CG 3.38Å; N313-Q317 PolarHBondContact O-N 2.87Å; N313-Q317 VanDerWaalsContact O-N 3.1Å; R314-Q317 PolarHBondContact O-N 2.88Å; Y315-Q317 VanDerWaalsContact C-N 3.31Å; Y315-Q317 PolarHBondContact O-N 2.93Å; Q317-G319 VanDerWaalsContact C-N 3.29Å; Q317-G319 PolarHBondContact O-N 3.15Å; Q317-G319 VanDerWaalsContact O-N 3.16Å; Q317-A320 WeakPolarHBondContact O-CB 3.23Å; Q317-A320 PolarHBondContact O-N 2.96Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.93Å
318Y89.9Confident89.2Confident3 Ų358.8 Ų58.81%0.01232%0.318CS..Hα-helixtrans-51.8-44.3-173.9-167.4-83.7000113.5L272 R275 Q276 F277 Y285 R314 Y315 Q316 A320 E321 E322L272-Y318 HydrophobicContact CD2-CD2 3.82Å; L272-Y318 HydrophobicContact CD2-CE2 4.38Å; R275-Y318 WeakPolarHBondContact CA-OH 3.45Å; R275-Y318 HydrophobicContact CB-CE2 4.37Å; R275-Y318 PolarHBondContact O-OH 2.9Å; Q276-Y318 PolarHBondContact N-OH 3.23Å; F277-Y318 HydrophobicContact CB-CD1 4.29Å; F277-Y318 HydrophobicContact CB-CE1 3.73Å; F277-Y318 HydrophobicContact CB-CE2 4.25Å; F277-Y318 HydrophobicContact CD2-CE2 4.16Å; F277-Y318 HydrophobicContact CG-CE2 4.43Å; F277-Y318 PolarHBondContact N-OH 3.3Å; Y285-Y318 AromaticContact CD1-CD1 3.6Å; Y285-Y318 HydrophobicContact CD1-CD1 3.6Å; Y285-Y318 AromaticContact CD1-CE1 3.48Å; Y285-Y318 HydrophobicContact CD1-CE1 3.48Å; Y285-Y318 VanDerWaalsContact CD1-CE1 3.48Å; Y285-Y318 HydrophobicContact CD2-CD1 4.25Å; Y285-Y318 AromaticContact CE1-CD1 3.9Å; Y285-Y318 HydrophobicContact CE1-CD1 3.9Å; Y285-Y318 AromaticContact CE1-CE1 3.63Å; Y285-Y318 HydrophobicContact CE1-CE1 3.63Å; Y285-Y318 AromaticContact CG-CD1 3.78Å; Y285-Y318 HydrophobicContact CG-CD1 3.78Å; Y285-Y318 HydrophobicContact CG-CE1 4.15Å; R314-Y318 PolarHBondContact O-N 3.36Å; Y315-Y318 WeakPolarHBondContact O-CB 3.31Å; Y315-Y318 PolarHBondContact O-N 2.81Å; Q316-Y318 VanDerWaalsContact C-N 3.31Å; Y318-A320 PolarHBondContact O-N 2.86Å; Y318-E321 PolarHBondContact O-N 3.31Å; Y318-E322 HydrophobicContact CD1-CG 3.75Å; Y318-E322 HydrophobicContact CE1-CG 3.38Å; Y318-E322 WeakPolarHBondContact O-CG 3.4Å; Y318-E322 PolarHBondContact O-N 3.46Å
319G86.7Confident89.1Confident28 Ų2858.4 Ų58.429%0.28931%0.314SS..Hα-helixtrans-66.4-36.2179.900000113.6Q317 C323Q317-G319 VanDerWaalsContact C-N 3.29Å; Q317-G319 PolarHBondContact O-N 3.15Å; Q317-G319 VanDerWaalsContact O-N 3.16Å; G319-C323 WeakPolarHBondContact O-CB 3.36Å; G319-C323 PolarHBondContact O-N 3.48Å; G319-C323 VanDerWaalsContact O-N 3.09Å
320A86.5Confident89.1Confident55 Ų5554 Ų5446%0.45529%0.294SS..Hα-helixtrans-69-41.7174.700000111Q317 Y318 C323 V324Q317-A320 WeakPolarHBondContact O-CB 3.23Å; Q317-A320 PolarHBondContact O-N 2.96Å; Y318-A320 PolarHBondContact O-N 2.86Å; A320-C323 WeakPolarHBondContact O-CB 3.42Å; A320-C323 PolarHBondContact O-N 3.33Å; A320-V324 WeakPolarHBondContact O-CG2 3.45Å; A320-V324 PolarHBondContact O-N 3.12Å; A320-V324 VanDerWaalsContact O-N 3.08Å
321E88.7Confident89.2Confident30 Ų3049.9 Ų49.914%0.1428%0.275CS..Hα-helixtrans-61.8-44175.8-66.5171.7-17300112.1R275 Q317 Y318 C323 V324 L325 L331R275-E321 IonicContact CZ-OE2 3.37Å; R275-E321 IonicContact NH1-OE2 2.67Å; R275-E321 PolarHBondContact NH1-OE2 3.33Å; R275-E321 VanDerWaalsContact NH2-CB 3.27Å; R275-E321 IonicContact NH2-OE2 3.72Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.93Å; Y318-E321 PolarHBondContact O-N 3.31Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 3.14Å; E321-V324 PolarHBondContact O-N 3.32Å; E321-L325 WeakPolarHBondContact O-CG 3.45Å; E321-L325 PolarHBondContact O-N 3.23Å; E321-L331 HydrophobicContact CB-CD1 4.13Å; E321-L331 HydrophobicContact CB-CD2 3.87Å; E321-L331 HydrophobicContact CG-CD1 4.42Å; E321-L331 HydrophobicContact CG-CD2 4.05Å
322E88.6Confident89.1Confident37 Ų3749.6 Ų49.617%0.17327%0.274CS..Hα-helixtrans-63.2-39.4175.9-76.8-62.8117.200112.3R275 Y285 Y318 V324 L325 Q326R275-E322 IonicContact CZ-OE1 3.19Å; R275-E322 IonicContact NE-OE1 3.49Å; R275-E322 PolarHBondContact NE-OE1 3.33Å; R275-E322 IonicContact NH2-OE1 3.03Å; R275-E322 PolarHBondContact NH2-OE1 3.47Å; Y285-E322 HydrophobicContact CE1-CB 4.46Å; Y285-E322 HydrophobicContact CE1-CG 3.94Å; Y285-E322 VanDerWaalsContact OH-CB 3.26Å; Y285-E322 WeakPolarHBondContact OH-CB 3.48Å; Y318-E322 HydrophobicContact CD1-CG 3.75Å; Y318-E322 HydrophobicContact CE1-CG 3.38Å; Y318-E322 WeakPolarHBondContact O-CG 3.4Å; Y318-E322 PolarHBondContact O-N 3.46Å; E322-V324 VanDerWaalsContact C-N 3.33Å; E322-V324 PolarHBondContact O-N 2.97Å; E322-L325 PolarHBondContact O-N 3.01Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.26Å; E322-Q326 PolarHBondContact O-N 3.27Å
323C86.3Confident88.8Confident56 Ų5649.2 Ų49.238%0.37827%0.274SS..Hα-helixtrans-60.8-43.1175.5-1740000111.5G319 A320 E321 Q326 M327G319-C323 WeakPolarHBondContact O-CB 3.36Å; G319-C323 PolarHBondContact O-N 3.48Å; G319-C323 VanDerWaalsContact O-N 3.09Å; A320-C323 WeakPolarHBondContact O-CB 3.42Å; A320-C323 PolarHBondContact O-N 3.33Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 3.14Å; C323-Q326 PolarHBondContact O-N 3.47Å; C323-M327 WeakPolarHBondContact O-CG 3.22Å; C323-M327 PolarHBondContact O-N 3.12Å; C323-M327 VanDerWaalsContact O-N 3.16Å; C323-M327 VanDerWaalsContact SG-CE 3.57Å
324V89Confident88.4Confident25 Ų2550.4 Ų50.415%0.15227%0.272CS..Hα-helixtrans-62.9-43175.8170.60000111.5A320 E321 E322 M327 G328 G329 L342A320-V324 WeakPolarHBondContact O-CG2 3.45Å; A320-V324 PolarHBondContact O-N 3.12Å; A320-V324 VanDerWaalsContact O-N 3.08Å; E321-V324 PolarHBondContact O-N 3.32Å; E322-V324 VanDerWaalsContact C-N 3.33Å; E322-V324 PolarHBondContact O-N 2.97Å; V324-M327 PolarHBondContact O-N 2.99Å; V324-G328 PolarHBondContact O-N 3.02Å; V324-G329 WeakPolarHBondContact O-CA 3.44Å; V324-G329 PolarHBondContact O-N 3.1Å; V324-L342 HydrophobicContact CG1-CD2 4.04Å; V324-L342 HydrophobicContact CG1-CG 4.31Å
325L88.9Confident87.7Confident63 Ų6350.7 Ų50.733%0.3328%0.28SS..Hα-helixtrans-64.6-39.5177.4-70.8173.9000112.3R275 E321 E322 M327 G328 L331R275-L325 VanDerWaalsContact NE-CD1 3.26Å; E321-L325 WeakPolarHBondContact O-CG 3.45Å; E321-L325 PolarHBondContact O-N 3.23Å; E322-L325 PolarHBondContact O-N 3.01Å; L325-M327 PolarHBondContact O-N 2.74Å; L325-G328 PolarHBondContact O-N 2.84Å; L325-L331 HydrophobicContact CD1-CD1 4.08Å; L325-L331 HydrophobicContact CD1-CG 4.41Å; L325-L331 HydrophobicContact CD2-CG 4.14Å; L325-L331 HydrophobicContact CG-CD1 4.47Å; L325-L331 HydrophobicContact CG-CD2 4.46Å; L325-L331 HydrophobicContact CG-CG 4.28Å
326Q88.3Confident86.9Confident147 Ų14753.3 Ų53.369%0.68731%0.313SS*.Hα-helixtrans-63.2-29.8175.4-74.3174.57.200112.7E322 C323 G328E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.26Å; E322-Q326 PolarHBondContact O-N 3.27Å; C323-Q326 PolarHBondContact O-N 3.47Å; Q326-G328 PolarHBondContact O-N 2.76Å
327M89Confident86.4Confident128 Ų12850.3 Ų50.363%0.63130%0.303SS*.THydrogen-bonded Turntrans-79.21.5173.7-66.5176.3-175.800113.5C323 V324 L325 L342C323-M327 WeakPolarHBondContact O-CG 3.22Å; C323-M327 PolarHBondContact O-N 3.12Å; C323-M327 VanDerWaalsContact O-N 3.16Å; C323-M327 VanDerWaalsContact SG-CE 3.57Å; V324-M327 PolarHBondContact O-N 2.99Å; L325-M327 PolarHBondContact O-N 2.74Å; M327-L342 HydrophobicContact CB-CD2 3.8Å; M327-L342 HydrophobicContact SD-CD1 4.38Å
328G87.3Confident85.9Confident42 Ų4246.1 Ų46.143%0.43329%0.29SS..THydrogen-bonded Turntrans84.811.1-177.300000114.4V324 L325 Q326 R366V324-G328 PolarHBondContact O-N 3.02Å; L325-G328 PolarHBondContact O-N 2.84Å; Q326-G328 PolarHBondContact O-N 2.76Å; G328-R366 PolarHBondContact O-NH2 3.46Å
329G89Confident85.7Confident12 Ų1247.6 Ų47.612%0.12430%0.302CS..  trans-72.1-177.1175.200000114V324 L341V324-G329 WeakPolarHBondContact O-CA 3.44Å; V324-G329 PolarHBondContact O-N 3.1Å; G329-L341 CarbonylContact C-O 3.53Å; G329-L341 WeakPolarHBondContact CA-O 3.41Å
330V90Very high85.6Confident10 Ų1048.1 Ų48.16%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-135.3152179.365.90000109.9L341 P343 V350 F364V330-L341 HydrophobicContact CG1-CB 4.22Å; V330-L341 HydrophobicContact CG1-CD1 4.41Å; V330-L341 PolarHBondContact N-O 3.06Å; V330-L341 WeakPolarHBondContact O-CD1 3.01Å; V330-L341 PolarHBondContact O-N 2.93Å; V330-P343 HydrophobicContact CG1-CG 3.98Å; V330-V350 HydrophobicContact CG1-CG1 3.89Å; V330-V350 HydrophobicContact CG1-CG2 4.3Å; V330-F364 HydrophobicContact CG1-CE2 4.25Å; V330-F364 HydrophobicContact CG1-CZ 3.98Å; V330-F364 HydrophobicContact CG2-CE2 3.95Å; V330-F364 HydrophobicContact CG2-CZ 4.28Å
331L89.4Confident85.7Confident14 Ų1446.5 Ų46.57%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-97.6147.4175.8-55.1-179.6000110.7E321 L325 P333E321-L331 HydrophobicContact CB-CD1 4.13Å; E321-L331 HydrophobicContact CB-CD2 3.87Å; E321-L331 HydrophobicContact CG-CD1 4.42Å; E321-L331 HydrophobicContact CG-CD2 4.05Å; L325-L331 HydrophobicContact CD1-CD1 4.08Å; L325-L331 HydrophobicContact CD1-CG 4.41Å; L325-L331 HydrophobicContact CD2-CG 4.14Å; L325-L331 HydrophobicContact CG-CD1 4.47Å; L325-L331 HydrophobicContact CG-CD2 4.46Å; L325-L331 HydrophobicContact CG-CG 4.28Å; L331-P333 WeakPolarHBondContact O-CD 3.44Å
332C88Confident85.6Confident2 Ų250.2 Ų50.21%0.01431%0.312CS..  trans-62.5124.6174.2-174.50000110.8R334 C337 A339 L341 C360C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 2.91Å; C332-C337 HydrophobicContact CB-CB 4.3Å; C332-A339 HydrophobicContact CB-CB 4.5Å; C332-A339 PolarHBondContact N-O 3.49Å; C332-L341 HydrophobicContact CB-CD1 4.11Å; C332-C360 PolarHBondContact SG-SG 3.14Å
333P85.9Confident85.5Confident12 Ų1250 Ų508%0.07831%0.314CS..  trans-75.2-13.7-177.929.2-35000113.6H11 L331 F362 F364 K369H11-P333 HydrophobicContact CB-CB 4.11Å; L331-P333 WeakPolarHBondContact O-CD 3.44Å; P333-F362 HydrophobicContact CG-CD1 4.34Å; P333-F362 HydrophobicContact CG-CE1 4.14Å; P333-F364 HydrophobicContact CG-CB 4.05Å; P333-F364 HydrophobicContact CG-CD1 4.09Å; P333-F364 HydrophobicContact CG-CD2 3.85Å; P333-F364 HydrophobicContact CG-CE1 4.5Å; P333-F364 HydrophobicContact CG-CE2 4.28Å; P333-F364 HydrophobicContact CG-CG 3.74Å; P333-K369 HydrophobicContact CB-CB 4.11Å; P333-K369 WeakPolarHBondContact CB-O 3.38Å; P333-K369 HydrophobicContact CG-CB 4.43Å; P333-K369 VanDerWaalsContact CG-O 3.27Å; P333-K369 WeakPolarHBondContact CG-O 3.18Å
334R82.8Confident85.6Confident113 Ų11354.2 Ų54.243%0.42633%0.328SS..SBendtrans-66.1127.9-177.7-174.9175.9-79.3-157.7-3.2110.4C332 G336 C337C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 2.91Å; R334-G336 PolarHBondContact O-N 2.88Å; R334-C337 HydrophobicContact CB-CB 4.41Å; R334-C337 PolarHBondContact O-N 3Å
335P75.1Confident85.4Confident53 Ų5357.3 Ų57.334%0.34435%0.349SS..THydrogen-bonded Turntrans-52.9131.3176-25.733.8000111.6C337P335-C337 VanDerWaalsContact C-N 3.34Å; P335-C337 PolarHBondContact O-N 3.43Å
336G75.4Confident85.2Confident75 Ų7562 Ų6277%0.77337%0.374SS*.THydrogen-bonded Turntrans83.6-12.3178.300000116.7R334R334-G336 PolarHBondContact O-N 2.88Å
337C80.2Confident85.2Confident39 Ų3959.4 Ų59.426%0.26436%0.362SS..THydrogen-bonded Turntrans-87.1-60.9176.8-176.40000111.9C332 R334 P335 A339 C360C332-C337 HydrophobicContact CB-CB 4.3Å; R334-C337 HydrophobicContact CB-CB 4.41Å; R334-C337 PolarHBondContact O-N 3Å; P335-C337 VanDerWaalsContact C-N 3.34Å; P335-C337 PolarHBondContact O-N 3.43Å; C337-A339 PolarHBondContact O-N 2.89Å; C337-C360 HydrophobicContact CB-CB 4.13Å
338G79.2Confident85.3Confident24 Ų2457.3 Ų57.325%0.24735%0.347CS..  trans59.87176.100000116.3G340G338-G340 PolarHBondContact O-N 2.85Å
339A84.7Confident85.5Confident34 Ų3459.6 Ų59.628%0.28135%0.345SS..  trans-57.5133.8-176.500000111.2C332 C337 L341C332-A339 HydrophobicContact CB-CB 4.5Å; C332-A339 PolarHBondContact N-O 3.49Å; C337-A339 PolarHBondContact O-N 2.89Å; A339-L341 WeakPolarHBondContact O-CD1 3.42Å
340G85.8Confident85.6Confident40 Ų4059.2 Ų59.241%0.41234%0.34SS..EExtended strand (participates in β ladder)trans-79.4126172.800000111.2G338G338-G340 PolarHBondContact O-N 2.85Å
341L87.4Confident85.6Confident20 Ų2061.1 Ų61.111%0.10535%0.352CS..EExtended strand (participates in β ladder)trans-117.4142.3-179.3-50.5100.3000110.6G329 V330 C332 A339 P343 V350 T351 C352 F364G329-L341 CarbonylContact C-O 3.53Å; G329-L341 WeakPolarHBondContact CA-O 3.41Å; V330-L341 HydrophobicContact CG1-CB 4.22Å; V330-L341 HydrophobicContact CG1-CD1 4.41Å; V330-L341 PolarHBondContact N-O 3.06Å; V330-L341 WeakPolarHBondContact O-CD1 3.01Å; V330-L341 PolarHBondContact O-N 2.93Å; C332-L341 HydrophobicContact CB-CD1 4.11Å; A339-L341 WeakPolarHBondContact O-CD1 3.42Å; L341-P343 VanDerWaalsContact O-CD 3.24Å; L341-P343 WeakPolarHBondContact O-CD 3.42Å; L341-V350 HydrophobicContact CB-CG1 4.4Å; L341-V350 HydrophobicContact CD2-CG1 3.9Å; L341-T351 VanDerWaalsContact CD2-O 3.26Å; L341-T351 WeakPolarHBondContact CD2-O 3.16Å; L341-C352 HydrophobicContact CD2-CB 4.2Å; L341-F364 HydrophobicContact CD1-CE1 4.31Å; L341-F364 HydrophobicContact CD1-CZ 4.15Å
342L87.8Confident85.5Confident109 Ų10960.5 Ų60.557%0.57135%0.349SS*.  trans-116.475.6174.4-66.8168000109V324 M327V324-L342 HydrophobicContact CG1-CD2 4.04Å; V324-L342 HydrophobicContact CG1-CG 4.31Å; M327-L342 HydrophobicContact CB-CD2 3.8Å; M327-L342 HydrophobicContact SD-CD1 4.38Å
343P87.2Confident85.1Confident33 Ų3367.9 Ų67.921%0.21438%0.383CS..  trans-72163.1173.332.7-35.4000111V330 L341 V350V330-P343 HydrophobicContact CG1-CG 3.98Å; L341-P343 VanDerWaalsContact O-CD 3.24Å; L341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-V350 HydrophobicContact CB-CG1 4.39Å; P343-V350 HydrophobicContact CB-CG2 4.1Å; P343-V350 HydrophobicContact CG-CG1 4.33Å; P343-V350 HydrophobicContact CG-CG2 3.97Å
344E87.6Confident84Confident143 Ų14368.8 Ų68.867%0.66839%0.394SS*.  trans-57.5144.6170.5-66.1-62.1148.300111.1D346 Q347E344-D346 PolarHBondContact O-N 3.18Å; E344-D346 VanDerWaalsContact O-N 3.07Å; E344-Q347 HydrophobicContact CB-CB 4.06Å; E344-Q347 WeakPolarHBondContact O-CB 3.43Å; E344-Q347 PolarHBondContact O-N 3.48Å
345P84.9Confident82.7Confident91 Ų9167.2 Ų67.259%0.59141%0.414SS*.THydrogen-bonded Turntrans-57-27.5-172.4-27.835.2000115.8R366P345-R366 VanDerWaalsContact C-NH1 3.31Å; P345-R366 PolarHBondContact O-NH1 3.36Å
346D85.1Confident82Confident160 Ų16072 Ų7286%0.85644%0.436SS*.THydrogen-bonded Turntrans-102.50.4-178.9-61-42000113.1E344 R348E344-D346 PolarHBondContact O-N 3.18Å; E344-D346 VanDerWaalsContact O-N 3.07Å; D346-R348 PolarHBondContact O-N 2.84Å
347Q88.4Confident81.1Confident94 Ų9471.9 Ų71.944%0.43944%0.435SS..  trans-79.9107.8-175.1-172.266.63000110.7E344 K349E344-Q347 HydrophobicContact CB-CB 4.06Å; E344-Q347 WeakPolarHBondContact O-CB 3.43Å; E344-Q347 PolarHBondContact O-N 3.48Å; Q347-K349 VanDerWaalsContact CG-O 3.25Å; Q347-K349 WeakPolarHBondContact CG-O 3.49Å; Q347-K349 PolarHBondContact NE2-O 2.97Å
348R90Very high80.4Confident84 Ų8477.2 Ų77.232%0.31746%0.46SS..  trans-74.8-35.8176.9-173.5173.9171-174.5-8113.2D346 V350 C365 R366 H373 G375 C377D346-R348 PolarHBondContact O-N 2.84Å; R348-V350 PolarHBondContact O-N 2.88Å; R348-C365 PolarHBondContact NE-SG 3.02Å; R348-R366 PolarHBondContact O-N 2.94Å; R348-H373 PolarHBondContact NH2-CE1 3.29Å; R348-G375 PolarHBondContact NH1-O 3.2Å; R348-G375 PolarHBondContact NH2-O 3.2Å; R348-C377 PolarHBondContact NH2-SG 3.16Å; R348-C377 VanDerWaalsContact NH2-SG 3.38Å
349K91.8Very high80Confident90 Ų9077 Ų7739%0.39146%0.458SS..EExtended strand (participates in β ladder)trans-84.4107.5177.1-173.1176.2179.2-1790110.1Q347 Y372Q347-K349 VanDerWaalsContact CG-O 3.25Å; Q347-K349 WeakPolarHBondContact CG-O 3.49Å; Q347-K349 PolarHBondContact NE2-O 2.97Å; K349-Y372 HydrophobicContact CB-CD2 3.57Å; K349-Y372 HydrophobicContact CB-CE2 3.34Å; K349-Y372 HydrophobicContact CB-CG 4.31Å; K349-Y372 HydrophobicContact CD-CD1 4Å; K349-Y372 HydrophobicContact CD-CD2 4.19Å; K349-Y372 HydrophobicContact CD-CE1 3.94Å; K349-Y372 HydrophobicContact CD-CE2 4.14Å; K349-Y372 HydrophobicContact CD-CG 4.1Å; K349-Y372 HydrophobicContact CG-CD1 4.2Å; K349-Y372 HydrophobicContact CG-CD2 3.55Å; K349-Y372 HydrophobicContact CG-CE1 4.37Å; K349-Y372 HydrophobicContact CG-CE2 3.74Å; K349-Y372 HydrophobicContact CG-CG 3.78Å
350V90.7Very high80Confident4 Ų477.2 Ų77.22%0.02446%0.457CS..EExtended strand (participates in β ladder)trans-107122177.5-175.10000109V330 L341 P343 R348 A363 F364 R366V330-V350 HydrophobicContact CG1-CG1 3.89Å; V330-V350 HydrophobicContact CG1-CG2 4.3Å; L341-V350 HydrophobicContact CB-CG1 4.4Å; L341-V350 HydrophobicContact CD2-CG1 3.9Å; P343-V350 HydrophobicContact CB-CG1 4.39Å; P343-V350 HydrophobicContact CB-CG2 4.1Å; P343-V350 HydrophobicContact CG-CG1 4.33Å; P343-V350 HydrophobicContact CG-CG2 3.97Å; R348-V350 PolarHBondContact O-N 2.88Å; V350-A363 CarbonylContact O-C 3.57Å; V350-A363 WeakPolarHBondContact O-CA 3.47Å; V350-F364 HydrophobicContact CB-CD1 4.35Å; V350-F364 HydrophobicContact CB-CD2 4.4Å; V350-F364 HydrophobicContact CB-CE1 3.94Å; V350-F364 HydrophobicContact CB-CE2 4.01Å; V350-F364 HydrophobicContact CB-CZ 3.77Å; V350-F364 HydrophobicContact CG1-CE1 3.69Å; V350-F364 HydrophobicContact CG1-CE2 4.22Å; V350-F364 HydrophobicContact CG1-CZ 3.51Å; V350-F364 PolarHBondContact N-O 3.43Å; V350-F364 WeakPolarHBondContact O-CD1 3.3Å; V350-F364 PolarHBondContact O-N 2.9Å; V350-R366 HydrophobicContact CG2-CB 4.04Å
351T90.3Very high80Confident49 Ų4977.9 Ų77.930%0.30146%0.464SS..EExtended strand (participates in β ladder)trans-103.8130.6175.4-51.60000109.5L341 E353L341-T351 VanDerWaalsContact CD2-O 3.26Å; L341-T351 WeakPolarHBondContact CD2-O 3.16Å; T351-E353 HydrophobicContact CG2-CG 3.73Å; T351-E353 PolarHBondContact O-N 2.81Å
352C87.1Confident80Confident2 Ų279.3 Ų79.31%0.01447%0.47CS..  trans-7575171.6-1690000111.7L341 G359 C360 G361 F362L341-C352 HydrophobicContact CD2-CB 4.2Å; C352-G359 CarbonylContact O-C 3.45Å; C352-C360 PolarHBondContact SG-N 3.31Å; C352-C360 VanDerWaalsContact SG-N 3.38Å; C352-C360 VanDerWaalsContact SG-SG 3.7Å; C352-G361 WeakPolarHBondContact O-CA 3.36Å; C352-G361 PolarHBondContact O-N 2.79Å; C352-F362 PolarHBondContact N-O 2.91Å
353E79.7Confident80.1Confident157 Ų15775.5 Ų75.573%0.73445%0.454SS*.  trans-83.8119.4171.7-63.1-177-17400108.8T351 G355T351-E353 HydrophobicContact CG2-CG 3.73Å; T351-E353 PolarHBondContact O-N 2.81Å; E353-G355 PolarHBondContact O-N 2.97Å
354G62.5Low80.3Confident30 Ų3074 Ų7431%0.30944%0.444SS..  trans-77.5124.5177.300000109.9N356 G357G354-N356 PolarHBondContact O-N 3.45Å; G354-G357 PolarHBondContact O-N 3.16Å; G354-G357 VanDerWaalsContact O-N 3.16Å
355G56.9Low80.5Confident81 Ų8167.1 Ų67.184%0.83541%0.412SS*.THydrogen-bonded Turntrans-64.219.1169.800000115.5E353E353-G355 PolarHBondContact O-N 2.97Å
356N60.2Low80.7Confident153 Ų15365.8 Ų65.882%0.81840%0.395SS*.THydrogen-bonded Turntrans-176.331.3170.7-87.9-25.8000111.1G354 L358G354-N356 PolarHBondContact O-N 3.45Å; N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 2.96Å
357G56.4Low80.8Confident72 Ų7263.8 Ų63.874%0.74238%0.381SS*.SBendtrans77.57.9-176.800000116G354G354-G357 PolarHBondContact O-N 3.16Å; G354-G357 VanDerWaalsContact O-N 3.16Å
358L65.2Low80.7Confident152 Ų15259.8 Ų59.880%0.79636%0.363SS*.  trans-84.2-6.6176.9-78.5152.8000114.5N356N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 2.96Å
359G71.1Confident80.5Confident20 Ų2058.7 Ų58.721%0.20636%0.36CS..SBendtrans-80.4144.417900000110.4C352 G361C352-G359 CarbonylContact O-C 3.45Å; G359-G361 PolarHBondContact O-N 3.16Å
360C83.8Confident80.2Confident37 Ų3757.6 Ų57.625%0.2536%0.357CS..  trans-77-3.2-177.369.30000114.4C332 C337 C352 F362C332-C360 PolarHBondContact SG-SG 3.14Å; C337-C360 HydrophobicContact CB-CB 4.13Å; C352-C360 PolarHBondContact SG-N 3.31Å; C352-C360 VanDerWaalsContact SG-N 3.38Å; C352-C360 VanDerWaalsContact SG-SG 3.7Å; C360-F362 PolarHBondContact O-N 2.81Å; C360-F362 VanDerWaalsContact SG-CB 3.52Å
361G85.1Confident80.2Confident55 Ų5560 Ų6057%0.56738%0.376SS*.  trans713.5-179.300000114.8C352 G359C352-G361 WeakPolarHBondContact O-CA 3.36Å; C352-G361 PolarHBondContact O-N 2.79Å; G359-G361 PolarHBondContact O-N 3.16Å
362F87.4Confident80.2Confident50 Ų5061 Ų6122%0.21938%0.376CS..  trans-76127.7-179-174.6-119.5000111.1P333 C352 C360 F364 A371P333-F362 HydrophobicContact CG-CD1 4.34Å; P333-F362 HydrophobicContact CG-CE1 4.14Å; C352-F362 PolarHBondContact N-O 2.91Å; C360-F362 PolarHBondContact O-N 2.81Å; C360-F362 VanDerWaalsContact SG-CB 3.52Å; F362-F364 HydrophobicContact CD1-CB 3.96Å; F362-F364 HydrophobicContact CD1-CD1 4.23Å; F362-F364 HydrophobicContact CD1-CG 4.49Å; F362-F364 HydrophobicContact CE1-CB 3.65Å; F362-F364 HydrophobicContact CZ-CB 4.48Å; F362-A371 HydrophobicContact CE2-CB 4.06Å; F362-A371 HydrophobicContact CZ-CB 3.83Å
363A91.1Very high80.3Confident29 Ų2963.3 Ų63.324%0.2439%0.386CS..EExtended strand (participates in β ladder)trans-96124171.900000110.2V350 Y372V350-A363 CarbonylContact O-C 3.57Å; V350-A363 WeakPolarHBondContact O-CA 3.47Å; A363-Y372 PolarHBondContact O-N 3.46Å
364F91.7Very high80.7Confident0 Ų062.9 Ų62.90%038%0.384CS..EExtended strand (participates in β ladder)trans-132.2158.2-175.265.6-84.2000112.1V330 P333 L341 V350 F362 E370V330-F364 HydrophobicContact CG1-CE2 4.25Å; V330-F364 HydrophobicContact CG1-CZ 3.98Å; V330-F364 HydrophobicContact CG2-CE2 3.95Å; V330-F364 HydrophobicContact CG2-CZ 4.28Å; P333-F364 HydrophobicContact CG-CB 4.05Å; P333-F364 HydrophobicContact CG-CD1 4.09Å; P333-F364 HydrophobicContact CG-CD2 3.85Å; P333-F364 HydrophobicContact CG-CE1 4.5Å; P333-F364 HydrophobicContact CG-CE2 4.28Å; P333-F364 HydrophobicContact CG-CG 3.74Å; L341-F364 HydrophobicContact CD1-CE1 4.31Å; L341-F364 HydrophobicContact CD1-CZ 4.15Å; V350-F364 HydrophobicContact CB-CD1 4.35Å; V350-F364 HydrophobicContact CB-CD2 4.4Å; V350-F364 HydrophobicContact CB-CE1 3.94Å; V350-F364 HydrophobicContact CB-CE2 4.01Å; V350-F364 HydrophobicContact CB-CZ 3.77Å; V350-F364 HydrophobicContact CG1-CE1 3.69Å; V350-F364 HydrophobicContact CG1-CE2 4.22Å; V350-F364 HydrophobicContact CG1-CZ 3.51Å; V350-F364 PolarHBondContact N-O 3.43Å; V350-F364 WeakPolarHBondContact O-CD1 3.3Å; V350-F364 PolarHBondContact O-N 2.9Å; F362-F364 HydrophobicContact CD1-CB 3.96Å; F362-F364 HydrophobicContact CD1-CD1 4.23Å; F362-F364 HydrophobicContact CD1-CG 4.49Å; F362-F364 HydrophobicContact CE1-CB 3.65Å; F362-F364 HydrophobicContact CZ-CB 4.48Å; F364-E370 CarbonylContact C-O 3.51Å; F364-E370 WeakPolarHBondContact CA-O 3.35Å; F364-E370 VanDerWaalsContact CB-O 3.23Å; F364-E370 WeakPolarHBondContact CB-O 3.29Å
365C91.8Very high81.9Confident0 Ų063.6 Ų63.60%039%0.392CS..EExtended strand (participates in β ladder)trans-79.5128.5173.2177.30000109.5R348 E367 C368 K369 E370R348-C365 PolarHBondContact NE-SG 3.02Å; C365-E367 VanDerWaalsContact C-N 3.25Å; C365-E367 PolarHBondContact O-N 3.42Å; C365-C368 WeakPolarHBondContact CB-SG 3.01Å; C365-C368 VanDerWaalsContact SG-SG 3.65Å; C365-K369 WeakPolarHBondContact O-CA 3.24Å; C365-K369 PolarHBondContact O-N 3.32Å; C365-E370 PolarHBondContact N-O 3.39Å
366R88.3Confident83.4Confident62 Ų6268.6 Ų68.623%0.23439%0.393CS..THydrogen-bonded Turntrans-56.8-37.9179.9-174.3177.4-179.8178.6-4.4113.5G328 P345 R348 V350G328-R366 PolarHBondContact O-NH2 3.46Å; P345-R366 VanDerWaalsContact C-NH1 3.31Å; P345-R366 PolarHBondContact O-NH1 3.36Å; R348-R366 PolarHBondContact O-N 2.94Å; V350-R366 HydrophobicContact CG2-CB 4.04Å
367E87.1Confident84.6Confident119 Ų11962.9 Ų62.956%0.55637%0.365SS*.THydrogen-bonded Turntrans-75.7-60.7-173-60.6-56.812800112.4C365C365-E367 VanDerWaalsContact C-N 3.25Å; C365-E367 PolarHBondContact O-N 3.42Å
368C85.8Confident85.7Confident10 Ų1063.2 Ų63.27%0.06836%0.356CS..THydrogen-bonded Turntrans-86.8-11.8-177.364.30000113.7C365 E370 H373 C377 F381C365-C368 WeakPolarHBondContact CB-SG 3.01Å; C365-C368 VanDerWaalsContact SG-SG 3.65Å; C368-E370 PolarHBondContact O-N 3.4Å; C368-E370 VanDerWaalsContact O-N 3.09Å; C368-H373 PolarHBondContact SG-NE2 3.01Å; C368-C377 HydrophobicContact CB-CB 4.08Å; C368-F381 HydrophobicContact CB-CB 4Å
369K85.9Confident85.9Confident60 Ų6060.2 Ų60.226%0.26135%0.353SS..  trans58.914.2-176.5-59.2176.7-174.2171.20115.1P333 C365P333-K369 HydrophobicContact CB-CB 4.11Å; P333-K369 WeakPolarHBondContact CB-O 3.38Å; P333-K369 HydrophobicContact CG-CB 4.43Å; P333-K369 VanDerWaalsContact CG-O 3.27Å; P333-K369 WeakPolarHBondContact CG-O 3.18Å; C365-K369 WeakPolarHBondContact O-CA 3.24Å; C365-K369 PolarHBondContact O-N 3.32Å
370E86.7Confident85.7Confident68 Ų6861 Ų6132%0.31835%0.354SS..SBendtrans-87.9175171.1-66.7-58.3138.400111.5H11 F364 C365 C368 Y372H11-E370 IonicContact CE1-OE1 2.66Å; H11-E370 IonicContact NE2-OE1 3.1Å; H11-E370 PolarHBondContact NE2-OE1 3.41Å; H11-E370 VanDerWaalsContact NE2-OE1 3.1Å; F364-E370 CarbonylContact C-O 3.51Å; F364-E370 WeakPolarHBondContact CA-O 3.35Å; F364-E370 VanDerWaalsContact CB-O 3.23Å; F364-E370 WeakPolarHBondContact CB-O 3.29Å; C365-E370 PolarHBondContact N-O 3.39Å; C368-E370 PolarHBondContact O-N 3.4Å; C368-E370 VanDerWaalsContact O-N 3.09Å; E370-Y372 PolarHBondContact O-N 3.27Å
371A89.6Confident84.8Confident53 Ų5363.3 Ų63.344%0.43836%0.359SS..BIsolated β-bridgetrans-50.2138175.200000111.1F362 H373F362-A371 HydrophobicContact CE2-CB 4.06Å; F362-A371 HydrophobicContact CZ-CB 3.83Å; A371-H373 PolarHBondContact O-N 2.96Å
372Y90.2Very high83.6Confident72 Ų7262 Ų6228%0.28234%0.339SS..  trans-55.4132.1-176.1178.5-101.1000111.3K349 A363 E370 E374K349-Y372 HydrophobicContact CB-CD2 3.57Å; K349-Y372 HydrophobicContact CB-CE2 3.34Å; K349-Y372 HydrophobicContact CB-CG 4.31Å; K349-Y372 HydrophobicContact CD-CD1 4Å; K349-Y372 HydrophobicContact CD-CD2 4.19Å; K349-Y372 HydrophobicContact CD-CE1 3.94Å; K349-Y372 HydrophobicContact CD-CE2 4.14Å; K349-Y372 HydrophobicContact CD-CG 4.1Å; K349-Y372 HydrophobicContact CG-CD1 4.2Å; K349-Y372 HydrophobicContact CG-CD2 3.55Å; K349-Y372 HydrophobicContact CG-CE1 4.37Å; K349-Y372 HydrophobicContact CG-CE2 3.74Å; K349-Y372 HydrophobicContact CG-CG 3.78Å; A363-Y372 PolarHBondContact O-N 3.46Å; E370-Y372 PolarHBondContact O-N 3.27Å; Y372-E374 VanDerWaalsContact CE1-OE1 3.26Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.4Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.1Å
373H90.4Very high81.8Confident50 Ų5062.5 Ų62.523%0.23135%0.352CS..  trans-141151.5-179.567.788.4000109.6R348 C368 A371 E376R348-H373 PolarHBondContact NH2-CE1 3.29Å; C368-H373 PolarHBondContact SG-NE2 3.01Å; A371-H373 PolarHBondContact O-N 2.96Å; H373-E376 PolarHBondContact CE1-O 3.34Å
374E86.7Confident79.7Confident147 Ų14766.4 Ų66.469%0.68738%0.378SS*.SBendtrans-84.2152.8169.3-63.5-63.7156.200109.6Y372Y372-E374 VanDerWaalsContact CE1-OE1 3.26Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.4Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.1Å
375G89.2Confident77.1Confident46 Ų4669.4 Ų69.447%0.47441%0.409SS..SBendtrans88.7-162178.400000115.2R348R348-G375 PolarHBondContact NH1-O 3.2Å; R348-G375 PolarHBondContact NH2-O 3.2Å
376E87.4Confident74.4Confident185 Ų18572.1 Ų72.186%0.86443%0.426SS*.SBendtrans-71.9145.9-178.1-65.3-178.9174.600111.7H373H373-E376 PolarHBondContact CE1-O 3.34Å
377C86.3Confident71.8Confident33 Ų3375.6 Ų75.622%0.22345%0.454CS..PPolyproline II helixtrans-64.5144.6171.1-70.30000109.9R348 C368 A379R348-C377 PolarHBondContact NH2-SG 3.16Å; R348-C377 VanDerWaalsContact NH2-SG 3.38Å; C368-C377 HydrophobicContact CB-CB 4.08Å; C377-A379 PolarHBondContact O-N 3.42Å
378S78.6Confident69.5Low79 Ų7973.3 Ų73.355%0.55245%0.448SS*.PPolyproline II helixtrans-51.1135.7171-1800000109.5V380 F381S378-V380 PolarHBondContact O-N 3.45Å; S378-F381 WeakPolarHBondContact O-CD1 3.47Å
379A70.7Confident67.7Low89 Ų8978.3 Ų78.374%0.73647%0.47SS*.SBendtrans-57.9-12.5179.200000113.3C377C377-A379 PolarHBondContact O-N 3.42Å
380V66.4Low66Low38 Ų3878.6 Ų78.623%0.2348%0.484CS..  trans-103.273.2178.2-162.60000109.8I2 F4 S378I2-V380 HydrophobicContact CB-CG1 4.1Å; I2-V380 HydrophobicContact CD1-CB 4.18Å; I2-V380 HydrophobicContact CD1-CG1 3.7Å; I2-V380 HydrophobicContact CD1-CG2 3.68Å; I2-V380 HydrophobicContact CG1-CG1 4.49Å; I2-V380 HydrophobicContact CG2-CG1 3.74Å; F4-V380 HydrophobicContact CZ-CG1 3.92Å; S378-V380 PolarHBondContact O-N 3.45Å
381F65.1Low64.9Low84 Ų8477.4 Ų77.437%0.36848%0.477SS..  trans-116.2147.3168.668.1-86.6000110.2C368 S378 A383C368-F381 HydrophobicContact CB-CB 4Å; S378-F381 WeakPolarHBondContact O-CD1 3.47Å; F381-A383 PolarHBondContact O-N 3.24Å
382E58.9Low64Low27 Ų2784.7 Ų84.713%0.12649%0.493CS..  trans-60.7102.4170.7-82.3-168.4168.600107.3F4 R6 G12 S384F4-E382 HydrophobicContact CB-CG 4.01Å; F4-E382 VanDerWaalsContact CB-OE1 3.25Å; F4-E382 WeakPolarHBondContact CB-OE1 3.5Å; F4-E382 HydrophobicContact CD1-CG 3.57Å; F4-E382 HydrophobicContact CD2-CG 3.64Å; F4-E382 HydrophobicContact CE1-CG 3.84Å; F4-E382 HydrophobicContact CE2-CG 3.9Å; F4-E382 HydrophobicContact CG-CG 3.46Å; F4-E382 VanDerWaalsContact CG-CG 3.46Å; F4-E382 HydrophobicContact CZ-CG 4Å; R6-E382 IonicContact CZ-OE2 3.14Å; R6-E382 IonicContact NE-OE1 3.58Å; R6-E382 IonicContact NE-OE2 2.67Å; R6-E382 IonicContact NH2-OE1 3.97Å; R6-E382 IonicContact NH2-OE2 3.27Å; R6-E382 PolarHBondContact NH2-OE2 3.04Å; G12-E382 WeakPolarHBondContact CA-OE1 3.33Å; G12-E382 PolarHBondContact N-OE1 2.77Å; G12-E382 PolarHBondContact N-OE2 3.34Å; E382-S384 PolarHBondContact O-N 2.89Å
383A50.8Low63.4Low61 Ų6182.6 Ų82.650%0.50449%0.488SS..  trans-57.3125.1167.800000107.1F381 G385F381-A383 PolarHBondContact O-N 3.24Å; A383-G385 CarbonylContact O-C 3.5Å; A383-G385 PolarHBondContact O-N 3.22Å
384S46.7Very low63.2Low112 Ų11284.9 Ų84.978%0.78350%0.501SS*.SBendtrans-60.54.6-176.2-75.60000114.8E382E382-S384 PolarHBondContact O-N 2.89Å
385G36.5Very low63.2Low63 Ų6385.4 Ų85.465%0.64950%0.504SS*.SBendtrans-101.476.4167.300000110.9A383 T387A383-G385 CarbonylContact O-C 3.5Å; A383-G385 PolarHBondContact O-N 3.22Å; G385-T387 PolarHBondContact O-N 3.02Å; G385-T387 VanDerWaalsContact O-N 3.12Å
386T35.3Very low63.2Low57 Ų5792.2 Ų92.235%0.3552%0.515SS..  trans-50.3116.8171.1-12.90000109.9I66 T388I66-T386 HydrophobicContact CD1-CG2 3.31Å; T386-T388 HydrophobicContact CG2-CG2 4.31Å; T386-T388 PolarHBondContact O-N 3.39Å; T386-T388 PolarHBondContact O-OG1 2.96Å
387T32.6Very low63.3Low134 Ų13483.6 Ų83.682%0.82248%0.476SS*.  trans-64.574.3156.2-37.90000106.7G385 Q389G385-T387 PolarHBondContact O-N 3.02Å; G385-T387 VanDerWaalsContact O-N 3.12Å; T387-Q389 PolarHBondContact O-N 3.12Å
388T40.6Very low63.4Low71 Ų7182.7 Ų82.744%0.43647%0.471SS..  trans-64.990.717323.70000106.6T386 A390T386-T388 HydrophobicContact CG2-CG2 4.31Å; T386-T388 PolarHBondContact O-N 3.39Å; T386-T388 PolarHBondContact O-OG1 2.96Å; T388-A390 VanDerWaalsContact C-N 3.34Å; T388-A390 PolarHBondContact O-N 2.97Å
389Q47.3Very low63.8Low115 Ų11584.4 Ų84.454%0.53747%0.47SS..  trans-54.5109.3162.1-78.2-171.7-0.800105.8A46 T387 Y391A46-Q389 HydrophobicContact CB-CB 4.27Å; T387-Q389 PolarHBondContact O-N 3.12Å; Q389-Y391 PolarHBondContact O-N 3.34Å
390A50.8Low64.6Low67 Ų6785.8 Ų85.855%0.55446%0.462SS*.  trans-55.4127.9-173.700000108.4T388 R392T388-A390 VanDerWaalsContact C-N 3.34Å; T388-A390 PolarHBondContact O-N 2.97Å; A390-R392 PolarHBondContact O-N 3.31Å
391Y62.4Low65.7Low43 Ų4384 Ų8417%0.16945%0.451CS..  trans-56.4105.3168.8-175.5-69.9000107.7G47 T240 R271 V290 Q389 V393G47-Y391 WeakPolarHBondContact O-CE2 3.25Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.42Å; T240-Y391 PolarHBondContact OG1-OH 2.93Å; R271-Y391 VanDerWaalsContact NH2-CG 3.25Å; V290-Y391 HydrophobicContact CG2-CD1 3.99Å; V290-Y391 HydrophobicContact CG2-CE1 3.22Å; V290-Y391 HydrophobicContact CG2-CE2 4.25Å; V290-Y391 WeakPolarHBondContact CG2-OH 3.43Å; Q389-Y391 PolarHBondContact O-N 3.34Å; Y391-V393 HydrophobicContact CD1-CG2 4.11Å; Y391-V393 HydrophobicContact CE1-CG2 3.59Å
392R70.5Confident67Low206 Ų20684.5 Ų84.578%0.77745%0.45SS*.  trans-106.8115.6176.6-74.3-174.7-176.4171.32.4108.2A390A390-R392 PolarHBondContact O-N 3.31Å
393V78.7Confident68.2Low28 Ų2884 Ų8417%0.1745%0.447CS..  trans-69.9140167.1178.50000108.1I239 V290 A291 Y391 E395 A398I239-V393 HydrophobicContact CD1-CG1 3.95Å; I239-V393 HydrophobicContact CG1-CG1 3.43Å; I239-V393 VanDerWaalsContact CG1-CG1 3.43Å; I239-V393 HydrophobicContact CG1-CG2 4.43Å; V290-V393 HydrophobicContact CG1-CG2 4.33Å; V290-V393 HydrophobicContact CG2-CG2 4.5Å; A291-V393 HydrophobicContact CB-CG2 4.19Å; Y391-V393 HydrophobicContact CD1-CG2 4.11Å; Y391-V393 HydrophobicContact CE1-CG2 3.59Å; V393-E395 PolarHBondContact O-N 3Å; V393-A398 HydrophobicContact CG1-CB 3.97Å
394D85.3Confident69.3Low97 Ų9786 Ų8652%0.51945%0.446SS..  trans-64.7128.3170.4177.4-99.1000110.5R396 A397 A398D394-R396 VanDerWaalsContact C-N 3.29Å; D394-R396 PolarHBondContact O-N 3.04Å; D394-R396 WeakPolarHBondContact OD1-CB 2.87Å; D394-R396 PolarHBondContact OD1-N 3.16Å; D394-R396 VanDerWaalsContact OD1-N 3.16Å; D394-A397 HydrophobicContact CB-CB 3.97Å; D394-A397 WeakPolarHBondContact O-CB 3.47Å; D394-A397 PolarHBondContact O-N 3.29Å; D394-A397 VanDerWaalsContact O-N 3.16Å; D394-A397 PolarHBondContact OD1-N 2.82Å; D394-A398 PolarHBondContact O-N 2.88Å
395E86.7Confident69.8Low159 Ų15984.1 Ų84.174%0.74344%0.437SS*.Hα-helixtrans-60.5-38.1-173.9-70.4-176.9168.300112.3V393 A398 E399V393-E395 PolarHBondContact O-N 3Å; E395-A398 WeakPolarHBondContact O-CB 3.49Å; E395-A398 PolarHBondContact O-N 2.78Å; E395-E399 WeakPolarHBondContact O-CG 3.28Å; E395-E399 PolarHBondContact O-N 3.39Å
396R88.9Confident70.5Confident188 Ų18882.8 Ų82.871%0.70942%0.42SS*.Hα-helixtrans-68.5-40.8178.1-59.8178.1177176.4-0.2111.1D394 A398 E399 Q400D394-R396 VanDerWaalsContact C-N 3.29Å; D394-R396 PolarHBondContact O-N 3.04Å; D394-R396 WeakPolarHBondContact OD1-CB 2.87Å; D394-R396 PolarHBondContact OD1-N 3.16Å; D394-R396 VanDerWaalsContact OD1-N 3.16Å; R396-A398 VanDerWaalsContact C-N 3.3Å; R396-A398 PolarHBondContact O-N 2.83Å; R396-E399 PolarHBondContact O-N 3.28Å; R396-Q400 WeakPolarHBondContact O-CG 3.24Å; R396-Q400 PolarHBondContact O-N 2.93Å
397A89.3Confident71.3Confident5 Ų583 Ų834%0.04142%0.423CS..Hα-helixtrans-60.9-40.1173.400000111.7T242 D394 Q400 A401T242-A397 HydrophobicContact CG2-CB 3.85Å; D394-A397 HydrophobicContact CB-CB 3.97Å; D394-A397 WeakPolarHBondContact O-CB 3.47Å; D394-A397 PolarHBondContact O-N 3.29Å; D394-A397 VanDerWaalsContact O-N 3.16Å; D394-A397 PolarHBondContact OD1-N 2.82Å; A397-Q400 PolarHBondContact O-N 2.82Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 2.66Å
398A88.9Confident72.1Confident14 Ų1485.8 Ų85.812%0.11642%0.424CS..Hα-helixtrans-65-37.717600000112.9I239 H257 V393 D394 E395 R396I239-A398 HydrophobicContact CD1-CB 4.06Å; I239-A398 HydrophobicContact CG1-CB 4.37Å; H257-A398 PolarHBondContact CD2-O 3.32Å; H257-A398 PolarHBondContact NE2-O 2.74Å; V393-A398 HydrophobicContact CG1-CB 3.97Å; D394-A398 PolarHBondContact O-N 2.88Å; E395-A398 WeakPolarHBondContact O-CB 3.49Å; E395-A398 PolarHBondContact O-N 2.78Å; R396-A398 VanDerWaalsContact C-N 3.3Å; R396-A398 PolarHBondContact O-N 2.83Å
399E87.8Confident72.3Confident115 Ų11591.5 Ų91.554%0.53745%0.446SS..Hα-helixtrans-66.2-42.7175.4-73.7179.4166.200113.1E395 R396 R402E395-E399 WeakPolarHBondContact O-CG 3.28Å; E395-E399 PolarHBondContact O-N 3.39Å; R396-E399 PolarHBondContact O-N 3.28Å; E399-R402 WeakPolarHBondContact O-CG 3.03Å
400Q87.7Confident72.3Confident118 Ų11889 Ų8955%0.55144%0.438SS*.Hα-helixtrans-71.2-32.7178.6-68.3177-0.700112.4T237 R396 A397 R402T237-Q400 WeakPolarHBondContact OG1-CB 3.49Å; R396-Q400 WeakPolarHBondContact O-CG 3.24Å; R396-Q400 PolarHBondContact O-N 2.93Å; A397-Q400 PolarHBondContact O-N 2.82Å; Q400-R402 PolarHBondContact O-N 2.81Å; Q400-R402 VanDerWaalsContact O-N 3.07Å
401A89.9Confident72.4Confident0 Ų091.9 Ų91.90%044%0.443CS..THydrogen-bonded Turntrans-81.228.1-17700000114.3T237 I239 H257 V258 A397T237-A401 VanDerWaalsContact O-CB 3.3Å; T237-A401 WeakPolarHBondContact O-CB 3.39Å; I239-A401 HydrophobicContact CB-CB 3.6Å; I239-A401 HydrophobicContact CG1-CB 4.22Å; H257-A401 CarbonylContact C-O 3.56Å; H257-A401 VanDerWaalsContact CA-O 3.29Å; H257-A401 WeakPolarHBondContact CA-O 3.38Å; V258-A401 WeakPolarHBondContact CG2-O 3.46Å; V258-A401 PolarHBondContact N-O 3.32Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 2.66Å
402R91.1Very high71.9Confident95 Ų9596.8 Ų96.836%0.35847%0.465SS..BIsolated β-bridgetrans-94.3121.1179.1-64.2-177.4-174.8166.54.5111.4S255 E399 Q400 E404 A405S255-R402 WeakPolarHBondContact O-CB 3.26Å; E399-R402 WeakPolarHBondContact O-CG 3.03Å; Q400-R402 PolarHBondContact O-N 2.81Å; Q400-R402 VanDerWaalsContact O-N 3.07Å; R402-E404 PolarHBondContact O-N 3.43Å; R402-A405 HydrophobicContact CB-CB 4.05Å
403W85.4Confident71.2Confident16 Ų1694.7 Ų94.76%0.06146%0.462CS..THydrogen-bonded Turntrans-61.9-38.7-177.1-171.9-114.9000113.8A230 R234 I236 V248 V250 R256 V258A230-W403 HydrophobicContact CB-CH2 3.89Å; A230-W403 HydrophobicContact CB-CZ2 3.87Å; R234-W403 VanDerWaalsContact CZ-CE2 3.45Å; R234-W403 VanDerWaalsContact CZ-NE1 3.3Å; R234-W403 PolarHBondContact NH1-O 3.22Å; I236-W403 HydrophobicContact CG1-CE3 4.11Å; I236-W403 HydrophobicContact CG1-CZ3 4.4Å; V248-W403 HydrophobicContact CG2-CZ3 3.99Å; V250-W403 HydrophobicContact CG1-CB 3.85Å; V250-W403 HydrophobicContact CG1-CG 4Å; V250-W403 HydrophobicContact CG2-CD2 3.88Å; V250-W403 HydrophobicContact CG2-CE3 3.98Å; V250-W403 HydrophobicContact CG2-CG 4.19Å; V250-W403 HydrophobicContact CG2-CZ3 4.43Å; R256-W403 HydrophobicContact CB-CB 3.73Å; R256-W403 WeakPolarHBondContact O-CB 3.37Å; R256-W403 PolarHBondContact O-N 2.66Å; V258-W403 HydrophobicContact CG2-CB 3.93Å; V258-W403 HydrophobicContact CG2-CD2 4.48Å; V258-W403 HydrophobicContact CG2-CE3 3.77Å
404E72.2Confident70.8Confident104 Ų10497.1 Ų97.149%0.48648%0.477SS..THydrogen-bonded Turntrans-87.1-22-171.6-70177.9-16800113.8R256 R402 A406 S407R256-E404 HydrophobicContact CB-CG 4.49Å; R256-E404 HydrophobicContact CG-CG 3.97Å; R256-E404 VanDerWaalsContact CG-OE1 3.24Å; R256-E404 WeakPolarHBondContact CG-OE1 3.18Å; R256-E404 IonicContact NE-OE1 3.65Å; R256-E404 PolarHBondContact NE-OE1 3.29Å; R256-E404 VanDerWaalsContact NE-OE1 3.1Å; R402-E404 PolarHBondContact O-N 3.43Å; E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 3.35Å; E404-S407 WeakPolarHBondContact O-CB 3.31Å; E404-S407 PolarHBondContact O-N 3.25Å
405A57.9Low70.5Confident71 Ų7195.5 Ų95.559%0.58747%0.471SS*.G310 helixtrans-64.6-30.4-176.400000113R402 S407R402-A405 HydrophobicContact CB-CB 4.05Å; A405-S407 PolarHBondContact O-N 2.81Å
406A52Low70.4Confident35 Ų3590.7 Ų90.729%0.28945%0.448SS..G310 helixtrans-74.9-4.3175.500000114.1I236 E404 K408I236-A406 HydrophobicContact CD1-CB 3.68Å; E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 3.35Å; A406-K408 VanDerWaalsContact C-N 3.27Å; A406-K408 PolarHBondContact O-N 3.25Å
407S52.4Low70.4Confident61 Ų6185.5 Ų85.543%0.42744%0.438SS..G310 helixtrans-74.9-9.3-172-157.30000114.6E404 A405E404-S407 WeakPolarHBondContact O-CB 3.31Å; E404-S407 PolarHBondContact O-N 3.25Å; A405-S407 PolarHBondContact O-N 2.81Å
408K47.5Very low70.4Confident193 Ų19385.3 Ų85.384%0.83944%0.436SS*.G310 helixtrans-73.4-29.6177.1-79.7-175.8177.1178.90113.6A406A406-K408 VanDerWaalsContact C-N 3.27Å; A406-K408 PolarHBondContact O-N 3.25Å
409E45.5Very low70.6Confident192 Ų19287 Ų8790%0.89745%0.446SS*.THydrogen-bonded Turntrans-92.7-17.5-179.1-115.8163.2175.700113.1I411E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 2.94Å
410T48.6Very low70.7Confident61 Ų6188.5 Ų88.537%0.37445%0.447SS..  trans-96.333.8-179.7-35.70000112.4K412T410-K412 HydrophobicContact CG2-CD 3.86Å; T410-K412 HydrophobicContact CG2-CG 3.82Å; T410-K412 PolarHBondContact O-N 3.07Å
411I51.2Low70.9Confident129 Ų12985 Ų8566%0.66244%0.435SS*.  trans-73.166.2155.3-53.7175.8000106.3E409 K413 T414E409-I411 VanDerWaalsContact C-N 3.32Å; E409-I411 PolarHBondContact O-N 2.94Å; I411-K413 PolarHBondContact O-N 2.78Å; I411-T414 HydrophobicContact CG2-CG2 4.23Å
412K52Low70.8Confident145 Ų14591.5 Ų91.563%0.6347%0.465SS*.  trans-57.5111.9174.1-85.7174.8178.5170.20106.9T410 T414T410-K412 HydrophobicContact CG2-CD 3.86Å; T410-K412 HydrophobicContact CG2-CG 3.82Å; T410-K412 PolarHBondContact O-N 3.07Å; K412-T414 PolarHBondContact O-N 3.41Å
413K56.5Low70.7Confident163 Ų16389 Ų8971%0.70946%0.461SS*.  trans11.696.3172-62.3-176178-178.10112.1I411 T415 W447I411-K413 PolarHBondContact O-N 2.78Å; K413-T415 WeakPolarHBondContact CB-O 3.24Å; K413-T415 PolarHBondContact O-N 3.36Å; K413-W447 WeakPolarHBondContact O-CH2 3.22Å; K413-W447 VanDerWaalsContact O-CZ2 3.23Å; K413-W447 WeakPolarHBondContact O-CZ2 3.17Å
414T70.5Confident70.8Confident78 Ų7892.5 Ų92.548%0.47949%0.485SS..SBendtrans-46.6-27.8175.144.60000111.9I411 K412 E426 K427I411-T414 HydrophobicContact CG2-CG2 4.23Å; K412-T414 PolarHBondContact O-N 3.41Å; T414-E426 VanDerWaalsContact O-CA 3.29Å; T414-E426 WeakPolarHBondContact O-CA 3.13Å; T414-E426 WeakPolarHBondContact O-CG 3.23Å; T414-K427 PolarHBondContact O-N 2.95Å
415T78.5Confident71.5Confident64 Ų6488.1 Ų88.139%0.39347%0.465SS..EExtended strand (participates in β ladder)trans-117.3139.5175.955.40000113.6K413 V425 E426K413-T415 WeakPolarHBondContact CB-O 3.24Å; K413-T415 PolarHBondContact O-N 3.36Å; T415-V425 WeakPolarHBondContact CA-O 3.36Å; T415-E426 HydrophobicContact CG2-CB 4.16Å; T415-E426 HydrophobicContact CG2-CG 4.49Å
416K85.4Confident72.9Confident58 Ų5890 Ų9025%0.25246%0.462SS..EExtended strand (participates in β ladder)trans-128.7145166.1-78.4-175.1-174.4-176.80110V425 W445 W447K416-V425 PolarHBondContact N-O 3.4Å; K416-V425 PolarHBondContact O-N 3.33Å; K416-W445 HydrophobicContact CB-CH2 3.87Å; K416-W445 HydrophobicContact CD-CH2 4.45Å; K416-W447 HydrophobicContact CB-CE3 4.11Å; K416-W447 HydrophobicContact CB-CH2 3.7Å; K416-W447 HydrophobicContact CB-CZ2 4.28Å; K416-W447 HydrophobicContact CB-CZ3 3.59Å; K416-W447 HydrophobicContact CD-CD2 3.79Å; K416-W447 HydrophobicContact CD-CE3 4.03Å; K416-W447 HydrophobicContact CD-CG 4.44Å; K416-W447 HydrophobicContact CD-CH2 4.02Å; K416-W447 HydrophobicContact CD-CZ2 3.75Å; K416-W447 HydrophobicContact CD-CZ3 4.15Å; K416-W447 HydrophobicContact CG-CD2 4.42Å; K416-W447 HydrophobicContact CG-CE3 4.3Å; K416-W447 HydrophobicContact CG-CH2 3.56Å; K416-W447 HydrophobicContact CG-CZ2 3.65Å; K416-W447 HydrophobicContact CG-CZ3 3.9Å; K416-W447 PolarHBondContact NZ-O 2.86Å
417P88.8Confident74.4Confident79 Ų7990.4 Ų90.451%0.51346%0.457SS..EExtended strand (participates in β ladder)trans-68.6141.7176.829.3-34.2000111H422P417-H422 WeakPolarHBondContact CB-O 3.43Å
418C89.2Confident75.4Confident0 Ų093.8 Ų93.80%047%0.47CS..  trans-57.7132.3170.5177.50000110.1R420 H422 V423 V425 C441C418-R420 PolarHBondContact O-N 3.05Å; C418-R420 VanDerWaalsContact O-N 3.08Å; C418-H422 WeakPolarHBondContact O-CA 3.41Å; C418-H422 PolarHBondContact O-N 3.37Å; C418-V423 PolarHBondContact N-O 3.24Å; C418-V425 HydrophobicContact CB-CG2 4.38Å; C418-C441 VanDerWaalsContact SG-SG 3.68Å
419P92.2Very high76.9Confident51 Ų5187.1 Ų87.133%0.33146%0.457SS..THydrogen-bonded Turntrans-58.6-23.4179.8-27.234.7000115L443 W445 G450P419-L443 HydrophobicContact CB-CD2 4.2Å; P419-L443 HydrophobicContact CG-CD2 4.44Å; P419-W445 HydrophobicContact CG-CB 4.13Å; P419-W445 HydrophobicContact CG-CD2 3.76Å; P419-W445 HydrophobicContact CG-CE3 3.67Å; P419-W445 HydrophobicContact CG-CG 3.97Å; P419-W445 HydrophobicContact CG-CZ3 4.37Å; P419-G450 WeakPolarHBondContact CB-O 3.46Å; P419-G450 VanDerWaalsContact CG-O 3.28Å; P419-G450 WeakPolarHBondContact CG-O 3.29Å
420R89.9Confident78.8Confident146 Ų14678.8 Ų78.855%0.55142%0.423SS*.THydrogen-bonded Turntrans-100.2-50.7-177.8-179.4-176.6-65.8179.5-2.1113.7C418 L443C418-R420 PolarHBondContact O-N 3.05Å; C418-R420 VanDerWaalsContact O-N 3.08Å; R420-L443 HydrophobicContact CB-CD2 3.7Å
421C91.7Very high80.6Confident44 Ų4476.9 Ų76.930%0.29741%0.411SS..THydrogen-bonded Turntrans-1070.8-17474.50000114.1V423 C436 C441C421-V423 PolarHBondContact O-N 3.28Å; C421-C436 PolarHBondContact SG-SG 2.81Å; C421-C441 HydrophobicContact CB-CB 3.96Å
422H88.7Confident82.4Confident136 Ų13670.9 Ų70.963%0.6338%0.381SS*.  trans58.92.5178.8-54.8-61.9000117P417 C418P417-H422 WeakPolarHBondContact CB-O 3.43Å; C418-H422 WeakPolarHBondContact O-CA 3.41Å; C418-H422 PolarHBondContact O-N 3.37Å
423V88.4Confident84.2Confident44 Ų4466.8 Ų66.827%0.26736%0.363SS..  trans-63.3130.9173.4173.30000109.5C418 C421 V425 Q438C418-V423 PolarHBondContact N-O 3.24Å; C421-V423 PolarHBondContact O-N 3.28Å; V423-V425 PolarHBondContact O-N 2.75Å; V423-Q438 HydrophobicContact CB-CG 4.1Å; V423-Q438 HydrophobicContact CG1-CG 4.09Å; V423-Q438 HydrophobicContact CG2-CG 3.78Å
424P87.9Confident85.8Confident89 Ų8959.7 Ų59.758%0.57833%0.333SS*.EExtended strand (participates in β ladder)trans-63.7128.7177.625.8-33.7000110.6
425V87Confident86.8Confident11 Ų1161.8 Ų61.87%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-116.7130.5175.4-175.90000107.9T415 K416 C418 V423 M434 W445T415-V425 WeakPolarHBondContact CA-O 3.36Å; K416-V425 PolarHBondContact N-O 3.4Å; K416-V425 PolarHBondContact O-N 3.33Å; C418-V425 HydrophobicContact CB-CG2 4.38Å; V423-V425 PolarHBondContact O-N 2.75Å; V425-M434 HydrophobicContact CG1-CE 3.8Å; V425-W445 HydrophobicContact CB-CZ2 4.32Å
426E85.8Confident87.4Confident110 Ų11058.9 Ų58.951%0.51432%0.318SS..EExtended strand (participates in β ladder)trans-83.9140.8176.5-171.7170.1-166.200111.3T414 T415 M434T414-E426 VanDerWaalsContact O-CA 3.29Å; T414-E426 WeakPolarHBondContact O-CA 3.13Å; T414-E426 WeakPolarHBondContact O-CG 3.23Å; T415-E426 HydrophobicContact CG2-CB 4.16Å; T415-E426 HydrophobicContact CG2-CG 4.49Å; E426-M434 VanDerWaalsContact O-CE 3.25Å; E426-M434 WeakPolarHBondContact O-CE 3.39Å
427K83.4Confident87.7Confident45 Ų4560.5 Ų60.520%0.19633%0.334CS..  trans-88.1108.8174.6179.9179.9160.9-168.80110.2T414 G429 M432 M434 W447 D464T414-K427 PolarHBondContact O-N 2.95Å; K427-G429 WeakPolarHBondContact CE-O 3.27Å; K427-M432 HydrophobicContact CD-CE 4.06Å; K427-M434 HydrophobicContact CB-CE 4.29Å; K427-M434 HydrophobicContact CG-SD 4.39Å; K427-W447 HydrophobicContact CB-CD2 4.09Å; K427-W447 HydrophobicContact CB-CE3 3.92Å; K427-W447 HydrophobicContact CB-CH2 3.62Å; K427-W447 HydrophobicContact CB-CZ2 3.82Å; K427-W447 HydrophobicContact CB-CZ3 3.68Å; K427-W447 HydrophobicContact CD-CD2 3.85Å; K427-W447 HydrophobicContact CD-CE3 4.49Å; K427-W447 HydrophobicContact CD-CG 3.96Å; K427-W447 HydrophobicContact CD-CZ2 4.16Å; K427-W447 HydrophobicContact CG-CD2 4.34Å; K427-D464 IonicContact NZ-OD2 3.81Å
428N74Confident87.7Confident131 Ų13160.7 Ų60.770%0.70133%0.328SS*.  trans-94.6105.4173.9-67.4-23.9000110.2
429G80.2Confident87.8Confident54 Ų5464.7 Ų64.756%0.55735%0.354SS*.SBendtrans86-164.8177.300000114.7K427K427-G429 WeakPolarHBondContact CE-O 3.27Å
430G84.5Confident87.7Confident17 Ų1771.6 Ų71.618%0.17538%0.382CS..SBendtrans-85.3-10.2-175.400000115.6S181 M432 F463 D464S181-G430 WeakPolarHBondContact O-CA 3.21Å; G430-M432 WeakPolarHBondContact O-CE 3.22Å; G430-F463 CarbonylContact O-C 3.53Å; G430-F463 VanDerWaalsContact O-CA 3.22Å; G430-F463 WeakPolarHBondContact O-CA 3.21Å; G430-F463 WeakPolarHBondContact O-CB 3.39Å; G430-D464 PolarHBondContact O-N 2.85Å
431C87.6Confident87.7Confident20 Ų2065.3 Ų65.314%0.13536%0.36CS..BIsolated β-bridgetrans-67.8137.5-176-173.10000112.2H433C431-H433 PolarHBondContact SG-N 3.36Å
432M88.2Confident87.6Confident4 Ų471.2 Ų71.22%0.0238%0.376CS..  trans-91.2-11178.4-67.4-5887.400113.2K427 G430 M434 C446 W447 N448 W453 H461 W462 D464K427-M432 HydrophobicContact CD-CE 4.06Å; G430-M432 WeakPolarHBondContact O-CE 3.22Å; M432-M434 PolarHBondContact O-N 3.38Å; M432-C446 WeakPolarHBondContact O-CA 3.44Å; M432-W447 HydrophobicContact CE-CB 4.34Å; M432-W447 PolarHBondContact O-N 3.39Å; M432-W447 HydrophobicContact SD-CB 3.91Å; M432-W447 HydrophobicContact SD-CG 4.36Å; M432-N448 HydrophobicContact SD-CB 4.29Å; M432-W453 HydrophobicContact CB-CZ3 4.24Å; M432-H461 VanDerWaalsContact CB-O 3.31Å; M432-H461 WeakPolarHBondContact CB-O 3.34Å; M432-H461 WeakPolarHBondContact CG-O 3.29Å; M432-W462 WeakPolarHBondContact CB-O 3.43Å; M432-W462 PolarHBondContact N-O 3.08Å; M432-D464 HydrophobicContact CE-CB 3.94Å
433H89.3Confident87.8Confident58 Ų5865.3 Ų65.327%0.26935%0.349SS..EExtended strand (participates in β ladder)trans-81103.8178.1-179.3-157000110C431 E444 W453C431-H433 PolarHBondContact SG-N 3.36Å; H433-E444 IonicContact CE1-OE2 3.34Å; H433-E444 PolarHBondContact CE1-OE2 3.26Å; H433-E444 IonicContact NE2-OE2 3.36Å; H433-E444 PolarHBondContact NE2-OE2 3.1Å; H433-W453 HydrophobicContact CB-CD2 4.02Å; H433-W453 HydrophobicContact CB-CE3 4.04Å; H433-W453 HydrophobicContact CB-CH2 3.81Å; H433-W453 HydrophobicContact CB-CZ2 3.76Å; H433-W453 HydrophobicContact CB-CZ3 3.94Å; H433-W453 AromaticContact CD2-CD1 3.66Å; H433-W453 AromaticContact CD2-CD2 3.56Å; H433-W453 AromaticContact CD2-CE2 3.86Å; H433-W453 AromaticContact CD2-CG 3.47Å; H433-W453 VanDerWaalsContact CD2-CG 3.47Å; H433-W453 AromaticContact CD2-NE1 3.86Å; H433-W453 AromaticContact CG-CD2 3.88Å; H433-W453 AromaticContact CG-CE2 3.76Å; H433-W453 AromaticContact CG-NE1 3.92Å; H433-W453 AromaticContact NE2-CD1 3.62Å; H433-W453 AromaticContact NE2-CG 3.82Å; H433-W453 AromaticContact NE2-NE1 3.99Å
434M90.8Very high88Confident14 Ų1466.5 Ų66.57%0.06935%0.352CS..EExtended strand (participates in β ladder)trans-102141.4-179.2-55.3-55.1-58.400110.3V425 E426 K427 M432 E444 W445 W447V425-M434 HydrophobicContact CG1-CE 3.8Å; E426-M434 VanDerWaalsContact O-CE 3.25Å; E426-M434 WeakPolarHBondContact O-CE 3.39Å; K427-M434 HydrophobicContact CB-CE 4.29Å; K427-M434 HydrophobicContact CG-SD 4.39Å; M432-M434 PolarHBondContact O-N 3.38Å; M434-E444 CarbonylContact O-C 3.53Å; M434-E444 VanDerWaalsContact O-CA 3.27Å; M434-E444 WeakPolarHBondContact O-CA 3.41Å; M434-W445 HydrophobicContact CB-CD2 3.95Å; M434-W445 HydrophobicContact CB-CG 4.2Å; M434-W445 HydrophobicContact CB-CZ2 3.85Å; M434-W445 WeakPolarHBondContact CB-O 3.39Å; M434-W445 HydrophobicContact CG-CD2 4.43Å; M434-W445 HydrophobicContact CG-CH2 4.28Å; M434-W445 HydrophobicContact CG-CZ2 4.01Å; M434-W445 PolarHBondContact N-O 3.24Å; M434-W445 PolarHBondContact O-N 3.1Å; M434-W447 HydrophobicContact CE-CE3 3.99Å; M434-W447 HydrophobicContact CE-CZ3 4.21Å; M434-W447 HydrophobicContact CG-CB 3.8Å; M434-W447 HydrophobicContact CG-CE3 3.93Å; M434-W447 HydrophobicContact SD-CB 4.21Å; M434-W447 HydrophobicContact SD-CE3 3.92Å
435K91.2Very high88.2Confident123 Ų12362.4 Ų62.454%0.53533%0.325SS..EExtended strand (participates in β ladder)trans-120.1129.8173-173.3167.4-173.5152.80110.3E444K435-E444 HydrophobicContact CB-CG 4.48Å; K435-E444 HydrophobicContact CD-CG 4.43Å; K435-E444 HydrophobicContact CG-CG 4.2Å; K435-E444 IonicContact NZ-OE1 3.57Å; K435-E444 PolarHBondContact NZ-OE1 3.27Å
436C91.5Very high88.5Confident3 Ų361.9 Ų61.92%0.0232%0.322CS..  trans-67.9124.9177-172.60000110.3C421 Q438 C441 L443C421-C436 PolarHBondContact SG-SG 2.81Å; C436-Q438 PolarHBondContact O-N 3.36Å; C436-C441 HydrophobicContact CB-CB 4.3Å; C436-L443 PolarHBondContact N-O 3.29Å
437P90.4Very high88.6Confident92 Ų9257.3 Ų57.360%0.59730%0.3SS*.  trans-71.5-15.918029.4-35.2000112.9
438Q90.2Very high88.7Confident83 Ų8358.3 Ų58.339%0.38831%0.307SS..  trans-68.4123-179.9-70.7-62.7-30.600110.9V423 C436 Q440 C441 R442V423-Q438 HydrophobicContact CB-CG 4.1Å; V423-Q438 HydrophobicContact CG1-CG 4.09Å; V423-Q438 HydrophobicContact CG2-CG 3.78Å; C436-Q438 PolarHBondContact O-N 3.36Å; Q438-Q440 PolarHBondContact O-N 3.47Å; Q438-Q440 VanDerWaalsContact O-N 3.16Å; Q438-C441 HydrophobicContact CB-CB 4.03Å; Q438-C441 PolarHBondContact O-N 3.46Å; Q438-R442 PolarHBondContact O-N 3.34Å
439P90.4Very high89.4Confident84 Ų8454.1 Ų54.155%0.54529%0.288SS..THydrogen-bonded Turntrans-64.2-25.1-173.524.2-33.8000113.5R442P439-R442 WeakPolarHBondContact O-CG 3.47Å; P439-R442 PolarHBondContact O-NE 3.33Å
440Q90.2Very high89.8Confident196 Ų19653.3 Ų53.392%0.91628%0.279SS*.THydrogen-bonded Turntrans-82.1-23176.9-60.1-178.71.300113.1Q438Q438-Q440 PolarHBondContact O-N 3.47Å; Q438-Q440 VanDerWaalsContact O-N 3.16Å
441C90.9Very high90.1Very high14 Ų1454.5 Ų54.510%0.09528%0.284CS..THydrogen-bonded Turntrans-97-57.5-176.5-179.40000111.5C418 C421 C436 Q438 L443C418-C441 VanDerWaalsContact SG-SG 3.68Å; C421-C441 HydrophobicContact CB-CB 3.96Å; C436-C441 HydrophobicContact CB-CB 4.3Å; Q438-C441 HydrophobicContact CB-CB 4.03Å; Q438-C441 PolarHBondContact O-N 3.46Å; C441-L443 PolarHBondContact O-N 3Å
442R89.7Confident90.3Very high168 Ų16859.5 Ų59.563%0.63431%0.306SS*.  trans44.121.1-177.7-60.1-178-173.5-165.8-4.1115.8Q438 P439 E444Q438-R442 PolarHBondContact O-N 3.34Å; P439-R442 WeakPolarHBondContact O-CG 3.47Å; P439-R442 PolarHBondContact O-NE 3.33Å; R442-E444 PolarHBondContact O-N 3.46Å
443L92.2Very high90.5Very high12 Ų1261 Ų616%0.06331%0.312CS..  trans-62.3132-179.4175.566.3000109.9P419 R420 C436 C441 W445 E452P419-L443 HydrophobicContact CB-CD2 4.2Å; P419-L443 HydrophobicContact CG-CD2 4.44Å; R420-L443 HydrophobicContact CB-CD2 3.7Å; C436-L443 PolarHBondContact N-O 3.29Å; C441-L443 PolarHBondContact O-N 3Å; L443-W445 HydrophobicContact CD2-CB 4.22Å; L443-W445 HydrophobicContact CG-CB 4.21Å; L443-E452 HydrophobicContact CD1-CB 4.4Å; L443-E452 HydrophobicContact CD1-CG 4.05Å
444E92.3Very high90.5Very high68 Ų6861 Ų6132%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-96.3124.9168.1-62.6-172.1-173.100109H433 M434 K435 R442 E452 W453H433-E444 IonicContact CE1-OE2 3.34Å; H433-E444 PolarHBondContact CE1-OE2 3.26Å; H433-E444 IonicContact NE2-OE2 3.36Å; H433-E444 PolarHBondContact NE2-OE2 3.1Å; M434-E444 CarbonylContact O-C 3.53Å; M434-E444 VanDerWaalsContact O-CA 3.27Å; M434-E444 WeakPolarHBondContact O-CA 3.41Å; K435-E444 HydrophobicContact CB-CG 4.48Å; K435-E444 HydrophobicContact CD-CG 4.43Å; K435-E444 HydrophobicContact CG-CG 4.2Å; K435-E444 IonicContact NZ-OE1 3.57Å; K435-E444 PolarHBondContact NZ-OE1 3.27Å; R442-E444 PolarHBondContact O-N 3.46Å; E444-E452 WeakPolarHBondContact O-CA 3.27Å; E444-W453 HydrophobicContact CB-CB 4.02Å; E444-W453 PolarHBondContact O-N 2.88Å
445W93Very high90.2Very high4 Ų469.5 Ų69.52%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-146157.2-170.463.8-76.9000112.1K416 P419 V425 M434 L443 W447 C451K416-W445 HydrophobicContact CB-CH2 3.87Å; K416-W445 HydrophobicContact CD-CH2 4.45Å; P419-W445 HydrophobicContact CG-CB 4.13Å; P419-W445 HydrophobicContact CG-CD2 3.76Å; P419-W445 HydrophobicContact CG-CE3 3.67Å; P419-W445 HydrophobicContact CG-CG 3.97Å; P419-W445 HydrophobicContact CG-CZ3 4.37Å; V425-W445 HydrophobicContact CB-CZ2 4.32Å; M434-W445 HydrophobicContact CB-CD2 3.95Å; M434-W445 HydrophobicContact CB-CG 4.2Å; M434-W445 HydrophobicContact CB-CZ2 3.85Å; M434-W445 WeakPolarHBondContact CB-O 3.39Å; M434-W445 HydrophobicContact CG-CD2 4.43Å; M434-W445 HydrophobicContact CG-CH2 4.28Å; M434-W445 HydrophobicContact CG-CZ2 4.01Å; M434-W445 PolarHBondContact N-O 3.24Å; M434-W445 PolarHBondContact O-N 3.1Å; L443-W445 HydrophobicContact CD2-CB 4.22Å; L443-W445 HydrophobicContact CG-CB 4.21Å; W445-W447 AromaticContact CH2-CE3 3.74Å; W445-W447 HydrophobicContact CH2-CE3 3.74Å; W445-W447 HydrophobicContact CH2-CZ3 4.25Å; W445-W447 HydrophobicContact CZ2-CE3 4.35Å; W445-W447 HydrophobicContact CZ3-CE3 4.48Å; W445-C451 CarbonylContact C-O 3.56Å; W445-C451 WeakPolarHBondContact CA-O 3.21Å; W445-C451 VanDerWaalsContact CB-O 3.29Å; W445-C451 WeakPolarHBondContact CB-O 3.49Å
446C92Very high90.1Very high0 Ų068.1 Ų68.10%035%0.346CS..EExtended strand (participates in β ladder)trans-86.1124.4177.9174.40000111.2M432 N448 C449 G450 C451 W453 C457 H461M432-C446 WeakPolarHBondContact O-CA 3.44Å; C446-N448 PolarHBondContact O-N 2.9Å; C446-N448 PolarHBondContact SG-N 3.28Å; C446-C449 HydrophobicContact CB-CB 4.1Å; C446-C449 PolarHBondContact O-N 2.9Å; C446-C449 PolarHBondContact SG-N 2.89Å; C446-G450 WeakPolarHBondContact O-CA 3.12Å; C446-G450 PolarHBondContact O-N 2.89Å; C446-C451 PolarHBondContact N-O 3.47Å; C446-W453 HydrophobicContact CB-CE3 4.01Å; C446-W453 HydrophobicContact CB-CZ3 4.17Å; C446-C457 HydrophobicContact CB-CB 4.06Å; C446-H461 PolarHBondContact SG-NE2 3.02Å; C446-H461 VanDerWaalsContact SG-NE2 3.36Å
447W89Confident89.9Confident14 Ų1468.1 Ų68.15%0.05335%0.346CS..THydrogen-bonded Turntrans-54.9-38.3178.2-179.8-97.9000113.4K413 K416 K427 M432 M434 W445K413-W447 WeakPolarHBondContact O-CH2 3.22Å; K413-W447 VanDerWaalsContact O-CZ2 3.23Å; K413-W447 WeakPolarHBondContact O-CZ2 3.17Å; K416-W447 HydrophobicContact CB-CE3 4.11Å; K416-W447 HydrophobicContact CB-CH2 3.7Å; K416-W447 HydrophobicContact CB-CZ2 4.28Å; K416-W447 HydrophobicContact CB-CZ3 3.59Å; K416-W447 HydrophobicContact CD-CD2 3.79Å; K416-W447 HydrophobicContact CD-CE3 4.03Å; K416-W447 HydrophobicContact CD-CG 4.44Å; K416-W447 HydrophobicContact CD-CH2 4.02Å; K416-W447 HydrophobicContact CD-CZ2 3.75Å; K416-W447 HydrophobicContact CD-CZ3 4.15Å; K416-W447 HydrophobicContact CG-CD2 4.42Å; K416-W447 HydrophobicContact CG-CE3 4.3Å; K416-W447 HydrophobicContact CG-CH2 3.56Å; K416-W447 HydrophobicContact CG-CZ2 3.65Å; K416-W447 HydrophobicContact CG-CZ3 3.9Å; K416-W447 PolarHBondContact NZ-O 2.86Å; K427-W447 HydrophobicContact CB-CD2 4.09Å; K427-W447 HydrophobicContact CB-CE3 3.92Å; K427-W447 HydrophobicContact CB-CH2 3.62Å; K427-W447 HydrophobicContact CB-CZ2 3.82Å; K427-W447 HydrophobicContact CB-CZ3 3.68Å; K427-W447 HydrophobicContact CD-CD2 3.85Å; K427-W447 HydrophobicContact CD-CE3 4.49Å; K427-W447 HydrophobicContact CD-CG 3.96Å; K427-W447 HydrophobicContact CD-CZ2 4.16Å; K427-W447 HydrophobicContact CG-CD2 4.34Å; M432-W447 HydrophobicContact CE-CB 4.34Å; M432-W447 PolarHBondContact O-N 3.39Å; M432-W447 HydrophobicContact SD-CB 3.91Å; M432-W447 HydrophobicContact SD-CG 4.36Å; M434-W447 HydrophobicContact CE-CE3 3.99Å; M434-W447 HydrophobicContact CE-CZ3 4.21Å; M434-W447 HydrophobicContact CG-CB 3.8Å; M434-W447 HydrophobicContact CG-CE3 3.93Å; M434-W447 HydrophobicContact SD-CB 4.21Å; M434-W447 HydrophobicContact SD-CE3 3.92Å; W445-W447 AromaticContact CH2-CE3 3.74Å; W445-W447 HydrophobicContact CH2-CE3 3.74Å; W445-W447 HydrophobicContact CH2-CZ3 4.25Å; W445-W447 HydrophobicContact CZ2-CE3 4.35Å; W445-W447 HydrophobicContact CZ3-CE3 4.48Å
448N86Confident89.8Confident66 Ų6666 Ų6635%0.35333%0.329SS..THydrogen-bonded Turntrans-81.2-47.8-176.7-162.626.2000112.2Y143 M432 C446Y143-N448 WeakPolarHBondContact CD1-ND2 2.98Å; M432-N448 HydrophobicContact SD-CB 4.29Å; C446-N448 PolarHBondContact O-N 2.9Å; C446-N448 PolarHBondContact SG-N 3.28Å
449C88.4Confident89.5Confident42 Ų4262.1 Ų62.128%0.28431%0.311SS..THydrogen-bonded Turntrans-83.6-23.8-173.7-59.40000114.4C446 C451 H461C446-C449 HydrophobicContact CB-CB 4.1Å; C446-C449 PolarHBondContact O-N 2.9Å; C446-C449 PolarHBondContact SG-N 2.89Å; C449-C451 HydrophobicContact CB-CB 4.48Å; C449-C451 VanDerWaalsContact CB-SG 3.51Å; C449-C451 PolarHBondContact O-N 2.93Å; C449-H461 PolarHBondContact SG-NE2 2.92Å; C449-H461 VanDerWaalsContact SG-NE2 3.38Å
450G88.8Confident89.3Confident37 Ų3759.1 Ų59.138%0.38129%0.29SS..  trans67.813.5-17400000114.4P419 C446P419-G450 WeakPolarHBondContact CB-O 3.46Å; P419-G450 VanDerWaalsContact CG-O 3.28Å; P419-G450 WeakPolarHBondContact CG-O 3.29Å; C446-G450 WeakPolarHBondContact O-CA 3.12Å; C446-G450 PolarHBondContact O-N 2.89Å
451C90.2Very high89.1Confident42 Ų4250.2 Ų50.228%0.28425%0.249SC..SBendtrans-102.9167.6177.166.80000111.4W445 C446 C449W445-C451 CarbonylContact C-O 3.56Å; W445-C451 WeakPolarHBondContact CA-O 3.21Å; W445-C451 VanDerWaalsContact CB-O 3.29Å; W445-C451 WeakPolarHBondContact CB-O 3.49Å; C446-C451 PolarHBondContact N-O 3.47Å; C449-C451 HydrophobicContact CB-CB 4.48Å; C449-C451 VanDerWaalsContact CB-SG 3.51Å; C449-C451 PolarHBondContact O-N 2.93Å
452E92.6Very high88.9Confident126 Ų12650 Ų5059%0.58925%0.246SC*.BIsolated β-bridgetrans-57.3141.6171.9-172.3163.2-159.800111.4L443 E444 N454L443-E452 HydrophobicContact CD1-CB 4.4Å; L443-E452 HydrophobicContact CD1-CG 4.05Å; E444-E452 WeakPolarHBondContact O-CA 3.27Å; E452-N454 PolarHBondContact O-N 2.71Å; E452-N454 PolarHBondContact O-ND2 3.22Å
453W91Very high88.9Confident36 Ų3642.1 Ų42.114%0.13622%0.216CC..PPolyproline II helixtrans-63129.3-175.4-175.2-112.7000110.7M432 H433 E444 C446 C457 M458 W462M432-W453 HydrophobicContact CB-CZ3 4.24Å; H433-W453 HydrophobicContact CB-CD2 4.02Å; H433-W453 HydrophobicContact CB-CE3 4.04Å; H433-W453 HydrophobicContact CB-CH2 3.81Å; H433-W453 HydrophobicContact CB-CZ2 3.76Å; H433-W453 HydrophobicContact CB-CZ3 3.94Å; H433-W453 AromaticContact CD2-CD1 3.66Å; H433-W453 AromaticContact CD2-CD2 3.56Å; H433-W453 AromaticContact CD2-CE2 3.86Å; H433-W453 AromaticContact CD2-CG 3.47Å; H433-W453 VanDerWaalsContact CD2-CG 3.47Å; H433-W453 AromaticContact CD2-NE1 3.86Å; H433-W453 AromaticContact CG-CD2 3.88Å; H433-W453 AromaticContact CG-CE2 3.76Å; H433-W453 AromaticContact CG-NE1 3.92Å; H433-W453 AromaticContact NE2-CD1 3.62Å; H433-W453 AromaticContact NE2-CG 3.82Å; H433-W453 AromaticContact NE2-NE1 3.99Å; E444-W453 HydrophobicContact CB-CB 4.02Å; E444-W453 PolarHBondContact O-N 2.88Å; C446-W453 HydrophobicContact CB-CE3 4.01Å; C446-W453 HydrophobicContact CB-CZ3 4.17Å; W453-C457 HydrophobicContact CE3-CB 4.11Å; W453-C457 HydrophobicContact CH2-CB 4.4Å; W453-C457 HydrophobicContact CZ3-CB 3.86Å; W453-M458 HydrophobicContact CH2-CB 4.39Å; W453-M458 HydrophobicContact CZ2-CB 3.74Å; W453-M458 HydrophobicContact CZ2-CG 4.21Å; W453-W462 AromaticContact CH2-CD1 3.79Å; W453-W462 HydrophobicContact CH2-CG 4.35Å; W453-W462 AromaticContact CZ2-CD1 3.75Å; W453-W462 HydrophobicContact CZ2-CG 4.33Å; W453-W462 AromaticContact CZ2-NE1 3.66Å
454N89.5Confident88.4Confident57 Ų5744.7 Ų44.731%0.30523%0.23SC..  trans-146.2167.8-17363.364.9000111.4E452 V456 C457 M458E452-N454 PolarHBondContact O-N 2.71Å; E452-N454 PolarHBondContact O-ND2 3.22Å; N454-V456 PolarHBondContact O-N 3.31Å; N454-V456 WeakPolarHBondContact OD1-CA 3.41Å; N454-V456 VanDerWaalsContact OD1-CB 3.24Å; N454-V456 WeakPolarHBondContact OD1-CB 3.25Å; N454-V456 PolarHBondContact OD1-N 2.82Å; N454-C457 PolarHBondContact O-N 3.39Å; N454-C457 PolarHBondContact OD1-N 2.98Å; N454-M458 WeakPolarHBondContact O-CB 3.41Å; N454-M458 PolarHBondContact O-N 3.01Å
455R85.5Confident87.6Confident193 Ų19344.1 Ų44.173%0.72823%0.231SC*.Hα-helixtrans-64.8-20.4-177.7-65.3-171.5178.3-148.30.4114G459R455-G459 PolarHBondContact O-N 3.02Å; R455-G459 VanDerWaalsContact O-N 3.12Å
456V88Confident87.3Confident93 Ų9346.1 Ų46.156%0.56424%0.242SC*.Hα-helixtrans-73.9-53.9176.4-176.50000109N454 M458 G459 D460N454-V456 PolarHBondContact O-N 3.31Å; N454-V456 WeakPolarHBondContact OD1-CA 3.41Å; N454-V456 VanDerWaalsContact OD1-CB 3.24Å; N454-V456 WeakPolarHBondContact OD1-CB 3.25Å; N454-V456 PolarHBondContact OD1-N 2.82Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 2.83Å; V456-G459 PolarHBondContact O-N 3.16Å; V456-D460 VanDerWaalsContact CG1-OD2 3.28Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.28Å; V456-D460 WeakPolarHBondContact O-CB 3.23Å; V456-D460 PolarHBondContact O-N 2.97Å
457C88.1Confident87.1Confident4 Ų448.5 Ų48.53%0.02725%0.254CS..Hα-helixtrans-57.7-42.4174.9-67.10000112.6C446 W453 N454 G459 H461 W462C446-C457 HydrophobicContact CB-CB 4.06Å; W453-C457 HydrophobicContact CE3-CB 4.11Å; W453-C457 HydrophobicContact CH2-CB 4.4Å; W453-C457 HydrophobicContact CZ3-CB 3.86Å; N454-C457 PolarHBondContact O-N 3.39Å; N454-C457 PolarHBondContact OD1-N 2.98Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.31Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 VanDerWaalsContact O-C 3.25Å; C457-H461 PolarHBondContact O-N 3Å; C457-W462 PolarHBondContact O-N 2.87Å
458M86.9Confident87Confident48 Ų4850.4 Ų50.424%0.23627%0.265CS..Hα-helixtrans-58.8-39.3174.6-177.8-171.3-72.500112.3W453 N454 V456 W462W453-M458 HydrophobicContact CH2-CB 4.39Å; W453-M458 HydrophobicContact CZ2-CB 3.74Å; W453-M458 HydrophobicContact CZ2-CG 4.21Å; N454-M458 WeakPolarHBondContact O-CB 3.41Å; N454-M458 PolarHBondContact O-N 3.01Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 2.83Å; M458-W462 HydrophobicContact CE-CH2 4.2Å; M458-W462 HydrophobicContact CE-CZ2 4.15Å; M458-W462 HydrophobicContact CG-CD2 3.59Å; M458-W462 HydrophobicContact CG-CE3 3.35Å; M458-W462 HydrophobicContact CG-CG 4.38Å; M458-W462 HydrophobicContact CG-CH2 3.74Å; M458-W462 HydrophobicContact CG-CZ2 3.93Å; M458-W462 HydrophobicContact CG-CZ3 3.44Å; M458-W462 VanDerWaalsContact CG-CZ3 3.44Å; M458-W462 WeakPolarHBondContact O-CB 3.48Å; M458-W462 HydrophobicContact SD-CE3 4.38Å; M458-W462 HydrophobicContact SD-CH2 3.78Å; M458-W462 HydrophobicContact SD-CZ2 4.24Å; M458-W462 HydrophobicContact SD-CZ3 3.85Å
459G83.8Confident87Confident0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-74.9-47.6179.900000113.6F146 K161 L162 R455 V456 C457F146-G459 WeakPolarHBondContact CD2-O 3.46Å; F146-G459 WeakPolarHBondContact CE2-O 3.44Å; K161-G459 WeakPolarHBondContact CA-O 3.38Å; L162-G459 PolarHBondContact N-O 3.43Å; R455-G459 PolarHBondContact O-N 3.02Å; R455-G459 VanDerWaalsContact O-N 3.12Å; V456-G459 PolarHBondContact O-N 3.16Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.31Å
460D86.5Confident87Confident21 Ų2150 Ų5011%0.11226%0.259CS..Hα-helixtrans-85.7-32.9-165.9-62.8-10.6000111.8N144 S145 V456N144-D460 WeakPolarHBondContact CA-O 3.4Å; S145-D460 PolarHBondContact N-O 2.83Å; V456-D460 VanDerWaalsContact CG1-OD2 3.28Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.28Å; V456-D460 WeakPolarHBondContact O-CB 3.23Å; V456-D460 PolarHBondContact O-N 2.97Å
461H86.6Confident86.8Confident9 Ų950.9 Ų50.94%0.04225%0.251CS..Hα-helixtrans-156.557.5-174.949.5-96.8000112.5Y143 S145 M432 C446 C449 C457 F463Y143-H461 HydrophobicContact CD1-CB 3.73Å; Y143-H461 AromaticContact CD1-CG 3.96Å; Y143-H461 HydrophobicContact CE1-CB 3.88Å; Y143-H461 PolarHBondContact O-ND1 2.89Å; S145-H461 WeakPolarHBondContact OG-CA 3.35Å; S145-H461 VanDerWaalsContact OG-CB 3.24Å; S145-H461 WeakPolarHBondContact OG-CB 3.46Å; M432-H461 VanDerWaalsContact CB-O 3.31Å; M432-H461 WeakPolarHBondContact CB-O 3.34Å; M432-H461 WeakPolarHBondContact CG-O 3.29Å; C446-H461 PolarHBondContact SG-NE2 3.02Å; C446-H461 VanDerWaalsContact SG-NE2 3.36Å; C449-H461 PolarHBondContact SG-NE2 2.92Å; C449-H461 VanDerWaalsContact SG-NE2 3.38Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 VanDerWaalsContact O-C 3.25Å; C457-H461 PolarHBondContact O-N 3Å; H461-F463 PolarHBondContact O-N 3.39Å
462W87.5Confident86.6Confident11 Ų1151.5 Ų51.54%0.04225%0.248CC..SBendtrans-57.8-37.7176.4-149.8-30.9000112.3F146 L162 V164 L176 P180 F208 M432 W453 C457 M458F146-W462 HydrophobicContact CE2-CB 4.47Å; F146-W462 HydrophobicContact CZ-CB 4.26Å; L162-W462 HydrophobicContact CD2-CB 3.91Å; L162-W462 HydrophobicContact CD2-CD2 4.33Å; L162-W462 HydrophobicContact CD2-CE3 3.69Å; L162-W462 HydrophobicContact CD2-CG 4.47Å; L162-W462 HydrophobicContact CG-CE3 3.91Å; L162-W462 HydrophobicContact CG-CZ3 4.47Å; V164-W462 HydrophobicContact CB-CH2 4.4Å; V164-W462 HydrophobicContact CB-CZ3 4.38Å; V164-W462 HydrophobicContact CG1-CH2 3.81Å; V164-W462 HydrophobicContact CG1-CZ3 4.13Å; L176-W462 HydrophobicContact CD1-CH2 3.74Å; L176-W462 HydrophobicContact CD1-CZ2 3.77Å; P180-W462 HydrophobicContact CG-CB 4.34Å; P180-W462 HydrophobicContact CG-CD2 3.73Å; P180-W462 HydrophobicContact CG-CE3 4.15Å; P180-W462 HydrophobicContact CG-CG 3.82Å; F208-W462 HydrophobicContact CE1-CZ3 4.28Å; M432-W462 WeakPolarHBondContact CB-O 3.43Å; M432-W462 PolarHBondContact N-O 3.08Å; W453-W462 AromaticContact CH2-CD1 3.79Å; W453-W462 HydrophobicContact CH2-CG 4.35Å; W453-W462 AromaticContact CZ2-CD1 3.75Å; W453-W462 HydrophobicContact CZ2-CG 4.33Å; W453-W462 AromaticContact CZ2-NE1 3.66Å; C457-W462 PolarHBondContact O-N 2.87Å; M458-W462 HydrophobicContact CE-CH2 4.2Å; M458-W462 HydrophobicContact CE-CZ2 4.15Å; M458-W462 HydrophobicContact CG-CD2 3.59Å; M458-W462 HydrophobicContact CG-CE3 3.35Å; M458-W462 HydrophobicContact CG-CG 4.38Å; M458-W462 HydrophobicContact CG-CH2 3.74Å; M458-W462 HydrophobicContact CG-CZ2 3.93Å; M458-W462 HydrophobicContact CG-CZ3 3.44Å; M458-W462 VanDerWaalsContact CG-CZ3 3.44Å; M458-W462 WeakPolarHBondContact O-CB 3.48Å; M458-W462 HydrophobicContact SD-CE3 4.38Å; M458-W462 HydrophobicContact SD-CH2 3.78Å; M458-W462 HydrophobicContact SD-CZ2 4.24Å; M458-W462 HydrophobicContact SD-CZ3 3.85Å
463F88.2Confident86.1Confident1 Ų145.8 Ų45.80%0.00422%0.222CC..BIsolated β-bridgetrans-134.2161.1173.263.2-88.9000111.1S145 F146 L162 P180 C182 W183 V186 G430 H461 V465S145-F463 WeakPolarHBondContact CB-O 3.39Å; S145-F463 PolarHBondContact OG-O 3.02Å; F146-F463 HydrophobicContact CD1-CE1 4.48Å; F146-F463 HydrophobicContact CD1-CZ 4.26Å; F146-F463 AromaticContact CE1-CD1 3.84Å; F146-F463 HydrophobicContact CE1-CD1 3.84Å; F146-F463 HydrophobicContact CE1-CD2 4.26Å; F146-F463 AromaticContact CE1-CE1 3.39Å; F146-F463 HydrophobicContact CE1-CE1 3.39Å; F146-F463 AromaticContact CE1-CE2 3.87Å; F146-F463 HydrophobicContact CE1-CE2 3.87Å; F146-F463 HydrophobicContact CE1-CG 4.26Å; F146-F463 AromaticContact CE1-CZ 3.41Å; F146-F463 HydrophobicContact CE1-CZ 3.41Å; F146-F463 VanDerWaalsContact CE1-CZ 3.41Å; F146-F463 AromaticContact CZ-CD1 3.75Å; F146-F463 HydrophobicContact CZ-CD1 3.75Å; F146-F463 AromaticContact CZ-CE1 3.64Å; F146-F463 HydrophobicContact CZ-CE1 3.64Å; F146-F463 HydrophobicContact CZ-CG 4.33Å; F146-F463 HydrophobicContact CZ-CZ 4.15Å; L162-F463 HydrophobicContact CD2-CD1 4.4Å; L162-F463 HydrophobicContact CD2-CE1 4.05Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.28Å; C182-F463 VanDerWaalsContact C-CE2 3.48Å; W183-F463 HydrophobicContact CD2-CE2 4.29Å; W183-F463 HydrophobicContact CD2-CZ 4.05Å; W183-F463 HydrophobicContact CE3-CZ 4.25Å; W183-F463 HydrophobicContact CG-CE2 4.21Å; W183-F463 HydrophobicContact CG-CZ 4.29Å; V186-F463 HydrophobicContact CG1-CE1 3.93Å; V186-F463 HydrophobicContact CG2-CE1 4.09Å; V186-F463 HydrophobicContact CG2-CZ 4.04Å; G430-F463 CarbonylContact O-C 3.53Å; G430-F463 VanDerWaalsContact O-CA 3.22Å; G430-F463 WeakPolarHBondContact O-CA 3.21Å; G430-F463 WeakPolarHBondContact O-CB 3.39Å; H461-F463 PolarHBondContact O-N 3.39Å; F463-V465 HydrophobicContact CD2-CG2 4.08Å; F463-V465 HydrophobicContact CE2-CG2 3.78Å
464D82.1Confident85.7Confident67 Ų6746.6 Ų46.636%0.35823%0.229SC..  trans-90.5145.5176.2-163.18.9000110.3Y143 K427 G430 M432Y143-D464 PolarHBondContact OH-OD1 2.97Å; K427-D464 IonicContact NZ-OD2 3.81Å; G430-D464 PolarHBondContact O-N 2.85Å; M432-D464 HydrophobicContact CE-CB 3.94Å
465V76Confident85.4Confident55 Ų5545.6 Ų45.633%0.33322%0.222SC..  trans-116.50-169.4-179.60000112.8W183 A230 F463W183-V465 HydrophobicContact CZ2-CG2 4.43Å; W183-V465 VanDerWaalsContact NE1-CG1 3.26Å; A230-V465 HydrophobicContact CB-CG1 4.42Å; F463-V465 HydrophobicContact CD2-CG2 4.08Å; F463-V465 HydrophobicContact CE2-CG2 3.78Å

Retrieved 465 of 465 residues in 91.5 ms (Link to these results)

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