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E3 ubiquitin-protein ligase parkin

Functions within a multiprotein E3 ubiquitin ligase complex, catalyzing the covalent attachment of ubiquitin moieties onto substrate proteins.

AlphaFold DB , UniProt , Accession A0A096MX93, Species PAPAN (Papio anubis, Olive baboon), Gene PRKN, 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
1M82.3Confident82.8Confident60 Ų6017.7 Ų17.730%0.2969%0.09SC..  0151.50-169.9178.782.700108.7V3 E16 V17 V56 L61 Q63M1-V3 HydrophobicContact CE-CG1 3.59Å; M1-E16 WeakPolarHBondContact O-CA 3.19Å; M1-V17 CarbonylContact C-O 3.52Å; M1-V17 WeakPolarHBondContact CA-O 3.47Å; M1-V17 HydrophobicContact CB-CG2 4.33Å; M1-V17 WeakPolarHBondContact CB-O 3.21Å; M1-V17 HydrophobicContact CE-CG2 3.9Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 PolarHBondContact O-N 3.29Å; M1-V56 HydrophobicContact CE-CG1 3.26Å; M1-V56 HydrophobicContact SD-CG1 4.39Å; M1-L61 HydrophobicContact CE-CB 3.85Å; M1-L61 WeakPolarHBondContact CE-O 3.41Å; M1-Q63 VanDerWaalsContact CA-OE1 3.24Å; M1-Q63 HydrophobicContact CG-CB 4.35Å
2I82.6Confident82.7Confident19 Ų1916.3 Ų16.310%0.0978%0.082CC..EExtended strand (participates in β ladder)trans-117.2128.5178.9-66.7162.1000109.9P14 V15 E16 Q64 L380I2-P14 HydrophobicContact CG2-CB 3.83Å; I2-V15 WeakPolarHBondContact CA-O 3.4Å; I2-E16 HydrophobicContact CD1-CG 4.32Å; I2-E16 HydrophobicContact CG1-CG 3.84Å; I2-Q64 PolarHBondContact O-N 3.48Å; I2-L380 HydrophobicContact CB-CD2 4.46Å; I2-L380 HydrophobicContact CD1-CD1 3.49Å; I2-L380 VanDerWaalsContact CD1-CD1 3.49Å; I2-L380 HydrophobicContact CD1-CD2 3.26Å; I2-L380 HydrophobicContact CD1-CG 3.96Å; I2-L380 HydrophobicContact CG1-CD2 4.42Å; I2-L380 HydrophobicContact CG2-CD2 4.5Å
3V86Confident82.6Confident1 Ų116.2 Ų16.21%0.0068%0.081CC..EExtended strand (participates in β ladder)trans-118.2146.6175.3-63.30000109.8M1 V15 V17 S65M1-V3 HydrophobicContact CE-CG1 3.59Å; V3-V15 HydrophobicContact CG2-CB 4.3Å; V3-V15 PolarHBondContact N-O 3.32Å; V3-V15 PolarHBondContact O-N 3.19Å; V3-V17 HydrophobicContact CG1-CG2 3.89Å; V3-V17 HydrophobicContact CG2-CG1 4Å; V3-V17 HydrophobicContact CG2-CG2 3.97Å; V3-S65 WeakPolarHBondContact CA-O 3.39Å
4F85.4Confident82.9Confident5 Ų518.1 Ų18.12%0.02210%0.096CC..EExtended strand (participates in β ladder)trans-95.2123.2175.9-68.9-78.1000110.3P14 Q64 S65 I66 V67 L380 E382F4-P14 HydrophobicContact CD1-CB 4.37Å; F4-P14 HydrophobicContact CE1-CB 4.15Å; F4-Q64 HydrophobicContact CD2-CB 4.33Å; F4-Q64 HydrophobicContact CE2-CB 3.84Å; F4-Q64 HydrophobicContact CE2-CG 3.93Å; F4-S65 PolarHBondContact N-O 2.9Å; F4-I66 HydrophobicContact CB-CG1 4.22Å; F4-I66 CarbonylContact O-C 3.53Å; F4-I66 WeakPolarHBondContact O-CA 3.4Å; F4-V67 PolarHBondContact O-N 3.43Å; F4-L380 VanDerWaalsContact CZ-O 3.23Å; F4-L380 WeakPolarHBondContact CZ-O 3.38Å; F4-E382 HydrophobicContact CB-CG 4.44Å; F4-E382 HydrophobicContact CD1-CG 3.58Å; F4-E382 HydrophobicContact CD2-CG 3.95Å; F4-E382 HydrophobicContact CE1-CG 3.66Å; F4-E382 HydrophobicContact CE2-CG 4.01Å; F4-E382 HydrophobicContact CG-CG 3.73Å; F4-E382 HydrophobicContact CZ-CG 3.87Å
5V86.6Confident83.1Confident0 Ų017.5 Ų17.50%09%0.093CC..EExtended strand (participates in β ladder)trans-103.2115.7-179.3178.80000110.1G12 F13 V15 L26 V30 V67 I69V5-G12 WeakPolarHBondContact O-CA 3.4Å; V5-F13 HydrophobicContact CB-CD2 4.12Å; V5-F13 HydrophobicContact CB-CE1 4.25Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.74Å; V5-F13 HydrophobicContact CG1-CE1 4.12Å; V5-F13 HydrophobicContact CG1-CE2 4.02Å; V5-F13 HydrophobicContact CG1-CZ 3.6Å; V5-F13 HydrophobicContact CG2-CE2 4.29Å; V5-F13 PolarHBondContact N-O 3.16Å; V5-F13 VanDerWaalsContact O-CD1 3.28Å; V5-F13 WeakPolarHBondContact O-CD1 3.03Å; V5-F13 WeakPolarHBondContact O-CE1 3.47Å; V5-F13 PolarHBondContact O-N 3.25Å; V5-V15 HydrophobicContact CB-CG2 4.21Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.54Å; V5-L26 HydrophobicContact CG2-CD1 4.3Å; V5-V30 HydrophobicContact CG1-CG2 4.01Å; V5-V30 HydrophobicContact CG2-CG2 4.38Å; V5-V67 CarbonylContact C-O 3.57Å; V5-V67 WeakPolarHBondContact CA-O 3.36Å; V5-V67 HydrophobicContact CB-CG2 4.35Å; V5-V67 HydrophobicContact CG2-CG2 3.73Å; V5-I69 HydrophobicContact CG1-CB 4.24Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.8Å
6R85.6Confident83.4Confident35 Ų3526.5 Ų26.513%0.13213%0.134CC..EExtended strand (participates in β ladder)trans-93.5109.3171.5-72.2-179.9178.8-176.8-6.7110.4S10 I66 V67 H68 I69 N273 D274 E382R6-S10 PolarHBondContact NE-O 3.07Å; R6-I66 HydrophobicContact CG-CG2 4.04Å; R6-V67 PolarHBondContact N-O 3.02Å; R6-H68 WeakPolarHBondContact O-CA 3.15Å; R6-I69 PolarHBondContact O-N 3.47Å; R6-N273 HydrophobicContact CB-CB 4.42Å; R6-D274 IonicContact CZ-OD1 3.59Å; R6-D274 IonicContact NH1-OD1 2.78Å; R6-D274 PolarHBondContact NH1-OD1 2.94Å; R6-E382 IonicContact NE-OE1 2.78Å; R6-E382 IonicContact NH2-OE1 3.97Å; R6-E382 IonicContact NH2-OE2 2.96Å
7F85.5Confident83.6Confident12 Ų1225.4 Ų25.45%0.05313%0.129CC..EExtended strand (participates in β ladder)trans-121.8111.7176-179.7-96.9000110.2S9 F13 Q34 V36 L41 I69 Q71F7-S9 PolarHBondContact O-N 3.21Å; F7-F13 HydrophobicContact CB-CE1 4.15Å; F7-Q34 HydrophobicContact CD1-CB 4.5Å; F7-Q34 HydrophobicContact CD1-CG 3.78Å; F7-Q34 HydrophobicContact CE1-CB 4.16Å; F7-Q34 HydrophobicContact CE1-CG 3.95Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; F7-V36 HydrophobicContact CZ-CG2 4.28Å; F7-L41 HydrophobicContact CE2-CD2 3.92Å; F7-I69 HydrophobicContact CD2-CB 4.09Å; F7-I69 HydrophobicContact CD2-CG2 3.85Å; F7-I69 VanDerWaalsContact CD2-O 3.3Å; F7-I69 WeakPolarHBondContact CD2-O 3.31Å; F7-I69 HydrophobicContact CE2-CG2 4.34Å; F7-Q71 HydrophobicContact CE2-CB 4.23Å; F7-Q71 HydrophobicContact CZ-CB 4.41Å
8N82.1Confident83.8Confident9 Ų929.8 Ų29.85%0.04815%0.153CC..SBendtrans45.927.6-177.7-66.4-10.6000115.3E310 Q311 R314N8-E310 PolarHBondContact ND2-OE1 3.33Å; N8-Q311 PolarHBondContact ND2-NE2 3.46Å; N8-Q311 PolarHBondContact OD1-NE2 3.35Å; N8-Q311 VanDerWaalsContact OD1-NE2 3.13Å; N8-R314 VanDerWaalsContact C-CZ 3.48Å; N8-R314 VanDerWaalsContact C-NH2 3.3Å; N8-R314 PolarHBondContact O-NE 2.9Å; N8-R314 PolarHBondContact O-NH2 3.2Å
9S78.8Confident83.8Confident10 Ų1032.2 Ų32.27%0.0717%0.172CC..SBendtrans-145.3156.8-176.7-174.30000110.1F7 H11 N273 P333F7-S9 PolarHBondContact O-N 3.21Å; S9-H11 VanDerWaalsContact C-N 3.32Å; S9-H11 PolarHBondContact OG-N 3.47Å; S9-N273 PolarHBondContact O-OD1 3.39Å; S9-P333 PolarHBondContact OG-O 3.18Å
10S76.9Confident84Confident26 Ų2636.6 Ų36.618%0.18220%0.196CC..SBendtrans-81-14.8171.857.70000113.1R6 N273R6-S10 PolarHBondContact NE-O 3.07Å; S10-N273 WeakPolarHBondContact CA-O 3.34Å
11H78.8Confident84.2Confident18 Ų1835.9 Ų35.98%0.08319%0.193CC..SBendtrans-99.6134.8175.4176.9-111.1000110.6S9 P333 K369 E370 E382S9-H11 VanDerWaalsContact C-N 3.32Å; S9-H11 PolarHBondContact OG-N 3.47Å; H11-P333 HydrophobicContact CB-CB 4.19Å; H11-K369 HydrophobicContact CB-CD 4.33Å; H11-E370 IonicContact CE1-OE1 3.48Å; H11-E382 IonicContact CD2-OE2 3.22Å
12G81.2Confident84.6Confident0 Ų034.3 Ų34.30%019%0.188CC..PPolyproline II helixtrans-92.6130.817300000111V5 E382V5-G12 WeakPolarHBondContact O-CA 3.4Å; G12-E382 VanDerWaalsContact CA-OE1 3.27Å; G12-E382 WeakPolarHBondContact CA-OE1 3.49Å; G12-E382 PolarHBondContact N-OE1 3.04Å; G12-E382 VanDerWaalsContact N-OE1 3.09Å
13F82.3Confident85Confident16 Ų1633.4 Ų33.47%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-88.4143.2171.256.6-97.3000110.3V5 F7 V15 V30V5-F13 HydrophobicContact CB-CD2 4.12Å; V5-F13 HydrophobicContact CB-CE1 4.25Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.74Å; V5-F13 HydrophobicContact CG1-CE1 4.12Å; V5-F13 HydrophobicContact CG1-CE2 4.02Å; V5-F13 HydrophobicContact CG1-CZ 3.6Å; V5-F13 HydrophobicContact CG2-CE2 4.29Å; V5-F13 PolarHBondContact N-O 3.16Å; V5-F13 VanDerWaalsContact O-CD1 3.28Å; V5-F13 WeakPolarHBondContact O-CD1 3.03Å; V5-F13 WeakPolarHBondContact O-CE1 3.47Å; V5-F13 PolarHBondContact O-N 3.25Å; F7-F13 HydrophobicContact CB-CE1 4.15Å; F13-V15 HydrophobicContact CD2-CG2 3.64Å; F13-V15 HydrophobicContact CE2-CG2 3.49Å; F13-V15 VanDerWaalsContact CE2-CG2 3.49Å; F13-V30 HydrophobicContact CE2-CG2 4.22Å; F13-V30 HydrophobicContact CZ-CG1 4.14Å; F13-V30 HydrophobicContact CZ-CG2 4.17Å
14P86.4Confident85.1Confident43 Ų4337.4 Ų37.428%0.27920%0.2SC..EExtended strand (participates in β ladder)trans-70.3139.2178.728.2-33.8000111.1I2 F4I2-P14 HydrophobicContact CG2-CB 3.83Å; F4-P14 HydrophobicContact CD1-CB 4.37Å; F4-P14 HydrophobicContact CE1-CB 4.15Å
15V86.6Confident85.3Confident9 Ų941.5 Ų41.56%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-130.9128.5171-178.20000108.8I2 V3 V5 F13 V17 L26 V29I2-V15 WeakPolarHBondContact CA-O 3.4Å; V3-V15 HydrophobicContact CG2-CB 4.3Å; V3-V15 PolarHBondContact N-O 3.32Å; V3-V15 PolarHBondContact O-N 3.19Å; V5-V15 HydrophobicContact CB-CG2 4.21Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.54Å; F13-V15 HydrophobicContact CD2-CG2 3.64Å; F13-V15 HydrophobicContact CE2-CG2 3.49Å; F13-V15 VanDerWaalsContact CE2-CG2 3.49Å; V15-V17 HydrophobicContact CG1-CG1 4.13Å; V15-L26 HydrophobicContact CB-CD1 4.46Å; V15-L26 HydrophobicContact CG1-CD1 3.91Å; V15-V29 HydrophobicContact CG1-CG1 4.04Å
16E87Confident85.5Confident161 Ų16141.5 Ų41.575%0.75222%0.22SC*.EExtended strand (participates in β ladder)trans-79.1127.2173-72.4176.3-175.100109.9M1 I2M1-E16 WeakPolarHBondContact O-CA 3.19Å; I2-E16 HydrophobicContact CD1-CG 4.32Å; I2-E16 HydrophobicContact CG1-CG 3.84Å
17V87Confident85.7Confident7 Ų740.4 Ų40.44%0.04222%0.216CC..  trans-136.8147.3178.8-62.50000110.5M1 V3 V15 T21 L26 V56M1-V17 CarbonylContact C-O 3.52Å; M1-V17 WeakPolarHBondContact CA-O 3.47Å; M1-V17 HydrophobicContact CB-CG2 4.33Å; M1-V17 WeakPolarHBondContact CB-O 3.21Å; M1-V17 HydrophobicContact CE-CG2 3.9Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 PolarHBondContact O-N 3.29Å; V3-V17 HydrophobicContact CG1-CG2 3.89Å; V3-V17 HydrophobicContact CG2-CG1 4Å; V3-V17 HydrophobicContact CG2-CG2 3.97Å; V15-V17 HydrophobicContact CG1-CG1 4.13Å; V17-T21 HydrophobicContact CB-CG2 4.37Å; V17-T21 HydrophobicContact CG1-CG2 4.39Å; V17-L26 HydrophobicContact CG1-CD1 3.95Å; V17-V56 HydrophobicContact CB-CG2 4.24Å; V17-V56 HydrophobicContact CG2-CG1 4.35Å; V17-V56 HydrophobicContact CG2-CG2 4.15Å
18D88.1Confident85.8Confident106 Ų10643.1 Ų43.157%0.56723%0.229SC*.  trans-97.6165.5173.2-64.7-42.2000111D20 T21D18-D20 WeakPolarHBondContact CB-OD1 3.37Å; D18-D20 PolarHBondContact O-N 2.75Å; D18-T21 WeakPolarHBondContact CA-OG1 3.22Å; D18-T21 PolarHBondContact N-OG1 3.26Å; D18-T21 WeakPolarHBondContact O-CB 3.48Å; D18-T21 PolarHBondContact O-N 3.18Å; D18-T21 VanDerWaalsContact O-N 3.09Å; D18-T21 PolarHBondContact O-OG1 2.96Å
19S83.5Confident86.2Confident74 Ų7446.3 Ų46.352%0.51725%0.248SC..THydrogen-bonded Turntrans-65.2-30.9-175.3-590000112.8Q57S19-Q57 WeakPolarHBondContact O-CB 3.33Å; S19-Q57 PolarHBondContact O-N 2.93Å
20D87.3Confident86.6Confident121 Ų12145.8 Ų45.865%0.64725%0.245SC*.THydrogen-bonded Turntrans-87.7-6.717765.2-25.4000113.1D18 S22D18-D20 WeakPolarHBondContact CB-OD1 3.37Å; D18-D20 PolarHBondContact O-N 2.75Å; D20-S22 PolarHBondContact O-N 2.94Å
21T88Confident87.2Confident21 Ų2145 Ų4513%0.12924%0.24CC..  trans-60.5127.1177.3-610000109.2V17 D18 Q25 T55 V56V17-T21 HydrophobicContact CB-CG2 4.37Å; V17-T21 HydrophobicContact CG1-CG2 4.39Å; D18-T21 WeakPolarHBondContact CA-OG1 3.22Å; D18-T21 PolarHBondContact N-OG1 3.26Å; D18-T21 WeakPolarHBondContact O-CB 3.48Å; D18-T21 PolarHBondContact O-N 3.18Å; D18-T21 VanDerWaalsContact O-N 3.09Å; D18-T21 PolarHBondContact O-OG1 2.96Å; T21-Q25 HydrophobicContact CG2-CB 3.96Å; T21-T55 CarbonylContact O-C 3.52Å; T21-T55 WeakPolarHBondContact O-CA 3.38Å; T21-V56 WeakPolarHBondContact O-CG2 3.1Å; T21-V56 PolarHBondContact O-N 3.2Å
22S91Very high87.6Confident27 Ų2752.2 Ų52.219%0.18927%0.271CS..BIsolated β-bridgetrans-78.9153.617663.30000111.3D20 F24 Q25 L26 W54D20-S22 PolarHBondContact O-N 2.94Å; S22-F24 PolarHBondContact O-N 3.1Å; S22-Q25 PolarHBondContact O-N 3.24Å; S22-Q25 VanDerWaalsContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CD 3.31Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.46Å; S22-Q25 PolarHBondContact OG-N 3.23Å; S22-Q25 PolarHBondContact OG-OE1 2.93Å; S22-L26 PolarHBondContact O-N 3.09Å; S22-L26 VanDerWaalsContact O-N 3.09Å; S22-W54 WeakPolarHBondContact CA-O 3Å
23I90.1Very high87.8Confident0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-60.3-30172.4-63.1-59000111.4L26 K27 V43 L50 R51 W54I23-L26 PolarHBondContact O-N 3.09Å; I23-K27 WeakPolarHBondContact O-CG 3.5Å; I23-K27 PolarHBondContact O-N 2.73Å; I23-V43 HydrophobicContact CG2-CB 3.94Å; I23-V43 HydrophobicContact CG2-CG1 4.39Å; I23-V43 HydrophobicContact CG2-CG2 3.87Å; I23-L50 HydrophobicContact CD1-CB 4.15Å; I23-L50 HydrophobicContact CD1-CD1 3.66Å; I23-L50 HydrophobicContact CG1-CB 4.03Å; I23-L50 HydrophobicContact CG1-CD1 4.41Å; I23-L50 HydrophobicContact CG2-CB 4.17Å; I23-R51 VanDerWaalsContact CB-O 3.31Å; I23-R51 WeakPolarHBondContact CB-O 3.42Å; I23-W54 HydrophobicContact CG1-CB 4.34Å; I23-W54 WeakPolarHBondContact CG1-O 3.38Å; I23-W54 PolarHBondContact N-O 2.71Å
24F89.6Confident87.9Confident85 Ų8560.6 Ų60.637%0.37330%0.304SS..Hα-helixtrans-63-46.1173-174.7-100.1000112.5S22 L26 K27 E28 T38 N52S22-F24 PolarHBondContact O-N 3.1Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 2.85Å; F24-K27 WeakPolarHBondContact O-CB 3.27Å; F24-K27 PolarHBondContact O-N 2.95Å; F24-K27 VanDerWaalsContact O-N 3.13Å; F24-E28 HydrophobicContact CD1-CG 4.26Å; F24-E28 HydrophobicContact CE1-CG 3.87Å; F24-E28 HydrophobicContact CZ-CG 4.25Å; F24-E28 PolarHBondContact O-N 2.85Å; F24-T38 HydrophobicContact CD2-CG2 4.37Å; F24-T38 HydrophobicContact CE2-CG2 3.92Å; F24-T38 HydrophobicContact CZ-CG2 4.26Å; F24-N52 HydrophobicContact CB-CB 4.23Å
25Q89.9Confident87.8Confident91 Ų9162 Ų6243%0.42533%0.326SS..Hα-helixtrans-62.1-40.2176.2-74.7162.1-32.900111.6T21 S22 K27 E28 V29T21-Q25 HydrophobicContact CG2-CB 3.96Å; S22-Q25 PolarHBondContact O-N 3.24Å; S22-Q25 VanDerWaalsContact O-N 3.1Å; S22-Q25 VanDerWaalsContact OG-CD 3.31Å; S22-Q25 VanDerWaalsContact OG-CG 3.27Å; S22-Q25 WeakPolarHBondContact OG-CG 3.46Å; S22-Q25 PolarHBondContact OG-N 3.23Å; S22-Q25 PolarHBondContact OG-OE1 2.93Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 3.03Å; Q25-E28 WeakPolarHBondContact O-CB 3.19Å; Q25-E28 PolarHBondContact O-N 3.43Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; Q25-V29 WeakPolarHBondContact O-CG2 3.39Å; Q25-V29 PolarHBondContact O-N 3.18Å
26L89Confident87.7Confident1 Ų162.6 Ų62.61%0.00533%0.33CS..Hα-helixtrans-59.1-42.2173.6178.561.4000111.6V5 V15 V17 S22 I23 F24 V29 V30 V67V5-L26 HydrophobicContact CG2-CD1 4.3Å; V15-L26 HydrophobicContact CB-CD1 4.46Å; V15-L26 HydrophobicContact CG1-CD1 3.91Å; V17-L26 HydrophobicContact CG1-CD1 3.95Å; S22-L26 PolarHBondContact O-N 3.09Å; S22-L26 VanDerWaalsContact O-N 3.09Å; I23-L26 PolarHBondContact O-N 3.09Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 2.85Å; L26-V29 PolarHBondContact O-N 3.02Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.21Å; L26-V67 HydrophobicContact CD2-CG2 4.41Å
27K89.9Confident87.7Confident11 Ų1157.9 Ų57.95%0.04831%0.314CS..Hα-helixtrans-62.5-41.3174-70.4175.9-179.4-172.40111.7I23 F24 Q25 V30 A31 T38 L41 V43 N52I23-K27 WeakPolarHBondContact O-CG 3.5Å; I23-K27 PolarHBondContact O-N 2.73Å; F24-K27 WeakPolarHBondContact O-CB 3.27Å; F24-K27 PolarHBondContact O-N 2.95Å; F24-K27 VanDerWaalsContact O-N 3.13Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 3.03Å; K27-V30 PolarHBondContact O-N 3.15Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.39Å; K27-T38 HydrophobicContact CB-CG2 3.61Å; K27-L41 HydrophobicContact CB-CB 4.4Å; K27-L41 HydrophobicContact CB-CD1 4.41Å; K27-L41 HydrophobicContact CD-CB 4.27Å; K27-L41 WeakPolarHBondContact CD-O 3.41Å; K27-L41 WeakPolarHBondContact CE-O 3.39Å; K27-L41 HydrophobicContact CG-CB 4.15Å; K27-L41 PolarHBondContact NZ-O 2.98Å; K27-L41 WeakPolarHBondContact O-CD1 3.29Å; K27-V43 HydrophobicContact CD-CG2 4.21Å; K27-V43 HydrophobicContact CG-CG2 3.59Å; K27-N52 WeakPolarHBondContact CE-OD1 3.45Å; K27-N52 PolarHBondContact NZ-OD1 3.02Å
28E89.4Confident87.7Confident70 Ų7059.1 Ų59.133%0.32732%0.321SS..Hα-helixtrans-63.3-40.7178.2-72.9-167.7126.600112.8F24 Q25 V30 A31 K32 T38F24-E28 HydrophobicContact CD1-CG 4.26Å; F24-E28 HydrophobicContact CE1-CG 3.87Å; F24-E28 HydrophobicContact CZ-CG 4.25Å; F24-E28 PolarHBondContact O-N 2.85Å; Q25-E28 WeakPolarHBondContact O-CB 3.19Å; Q25-E28 PolarHBondContact O-N 3.43Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.73Å; E28-A31 PolarHBondContact O-N 3.03Å; E28-K32 WeakPolarHBondContact O-CB 3.37Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.39Å; E28-K32 PolarHBondContact O-N 3Å; E28-T38 HydrophobicContact CG-CG2 3.83Å
29V89.8Confident87.5Confident75 Ų7560 Ų6046%0.45533%0.326SS..Hα-helixtrans-60.1-45176.2172.30000110.3V15 Q25 L26 R33V15-V29 HydrophobicContact CG1-CG1 4.04Å; Q25-V29 WeakPolarHBondContact O-CG2 3.39Å; Q25-V29 PolarHBondContact O-N 3.18Å; L26-V29 PolarHBondContact O-N 3.02Å; V29-R33 PolarHBondContact O-N 3.2Å; V29-R33 VanDerWaalsContact O-N 3.11Å
30V87.4Confident87.5Confident0 Ų058.8 Ų58.80%031%0.312CS..Hα-helixtrans-74.2-37.6-178.6176.40000111.7V5 F13 L26 K27 E28 K32 R33 Q34 L41 I69V5-V30 HydrophobicContact CG1-CG2 4.01Å; V5-V30 HydrophobicContact CG2-CG2 4.38Å; F13-V30 HydrophobicContact CE2-CG2 4.22Å; F13-V30 HydrophobicContact CZ-CG1 4.14Å; F13-V30 HydrophobicContact CZ-CG2 4.17Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.21Å; K27-V30 PolarHBondContact O-N 3.15Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.73Å; V30-K32 PolarHBondContact O-N 3.43Å; V30-R33 PolarHBondContact O-N 2.96Å; V30-Q34 HydrophobicContact CG1-CG 4.1Å; V30-Q34 WeakPolarHBondContact O-CB 3.43Å; V30-Q34 WeakPolarHBondContact O-CG 3.41Å; V30-Q34 PolarHBondContact O-N 3.13Å; V30-L41 HydrophobicContact CG1-CD1 4.48Å; V30-I69 HydrophobicContact CB-CD1 3.88Å; V30-I69 HydrophobicContact CG1-CD1 3.92Å; V30-I69 HydrophobicContact CG1-CG2 4.39Å; V30-I69 HydrophobicContact CG2-CD1 3.67Å
31A88.8Confident87.5Confident8 Ų853.2 Ų53.27%0.06628%0.282CS..Hα-helixtrans-56.4-48.2172.800000111.5K27 E28 R33 Q34 G35 V36 T38 L41K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.39Å; E28-A31 PolarHBondContact O-N 3.03Å; A31-R33 PolarHBondContact O-N 3.13Å; A31-Q34 PolarHBondContact O-N 3.03Å; A31-G35 WeakPolarHBondContact O-CA 3.31Å; A31-G35 PolarHBondContact O-N 3.4Å; A31-V36 WeakPolarHBondContact CA-O 3.49Å; A31-V36 WeakPolarHBondContact CB-O 3.47Å; A31-V36 PolarHBondContact O-N 3.44Å; A31-V36 VanDerWaalsContact O-N 3.14Å; A31-T38 WeakPolarHBondContact CB-OG1 3.34Å; A31-L41 HydrophobicContact CB-CD1 3.86Å
32K88.4Confident87.4Confident171 Ų17152.9 Ų52.974%0.74328%0.278SS*.Hα-helixtrans-62.9-40.4176.3-72.9173-176172.80112.1E28 V30E28-K32 WeakPolarHBondContact O-CB 3.37Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.39Å; E28-K32 PolarHBondContact O-N 3Å; V30-K32 PolarHBondContact O-N 3.43Å
33R85.5Confident87.2Confident136 Ų13651.6 Ų51.651%0.51327%0.27SS..Hα-helixtrans-69.4-37.1-179.5-171.4173.5-178.2171.6-1.1112.9V29 V30 A31V29-R33 PolarHBondContact O-N 3.2Å; V29-R33 VanDerWaalsContact O-N 3.11Å; V30-R33 PolarHBondContact O-N 2.96Å; A31-R33 PolarHBondContact O-N 3.13Å
34Q83.8Confident87Confident55 Ų5551.7 Ų51.726%0.25727%0.27SS..Hα-helixtrans-98.3-10.3-175.6-59.7-63.8-9.400113.6F7 V30 A31 V36F7-Q34 HydrophobicContact CD1-CB 4.5Å; F7-Q34 HydrophobicContact CD1-CG 3.78Å; F7-Q34 HydrophobicContact CE1-CB 4.16Å; F7-Q34 HydrophobicContact CE1-CG 3.95Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; V30-Q34 HydrophobicContact CG1-CG 4.1Å; V30-Q34 WeakPolarHBondContact O-CB 3.43Å; V30-Q34 WeakPolarHBondContact O-CG 3.41Å; V30-Q34 PolarHBondContact O-N 3.13Å; A31-Q34 PolarHBondContact O-N 3.03Å; Q34-V36 HydrophobicContact CB-CG2 4.14Å
35G83.6Confident86.7Confident72 Ų7249.2 Ų49.274%0.74226%0.259SS*.THydrogen-bonded Turntrans7129.9-176.800000113.7A31A31-G35 WeakPolarHBondContact O-CA 3.31Å; A31-G35 PolarHBondContact O-N 3.4Å
36V85.3Confident86Confident22 Ų2246.6 Ų46.613%0.13325%0.253CS..  trans-113.9143.1-176.21790000110.3F7 A31 Q34 T38 L41 Q71F7-V36 HydrophobicContact CZ-CG2 4.28Å; A31-V36 WeakPolarHBondContact CA-O 3.49Å; A31-V36 WeakPolarHBondContact CB-O 3.47Å; A31-V36 PolarHBondContact O-N 3.44Å; A31-V36 VanDerWaalsContact O-N 3.14Å; Q34-V36 HydrophobicContact CB-CG2 4.14Å; V36-T38 PolarHBondContact O-N 3.43Å; V36-L41 HydrophobicContact CB-CD2 4.42Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; V36-Q71 VanDerWaalsContact CG1-CD 3.46Å; V36-Q71 HydrophobicContact CG1-CG 3.89Å
37P86.8Confident85Confident63 Ų6347.7 Ų47.741%0.40926%0.264SS..  trans-61.2132.4176.2-24.735.9000113.5D39 Q40P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 PolarHBondContact O-N 2.96Å; P37-Q40 HydrophobicContact CB-CG 4.19Å; P37-Q40 PolarHBondContact O-N 3.44Å; P37-Q40 VanDerWaalsContact O-N 3.11Å
38T86.1Confident84.4Confident33 Ų3353.8 Ų53.820%0.20229%0.291CS..G310 helixtrans-59-34.1-176.9-48.50000113.4F24 K27 E28 A31 V36 Q40 L41F24-T38 HydrophobicContact CD2-CG2 4.37Å; F24-T38 HydrophobicContact CE2-CG2 3.92Å; F24-T38 HydrophobicContact CZ-CG2 4.26Å; K27-T38 HydrophobicContact CB-CG2 3.61Å; E28-T38 HydrophobicContact CG-CG2 3.83Å; A31-T38 WeakPolarHBondContact CB-OG1 3.34Å; V36-T38 PolarHBondContact O-N 3.43Å; T38-Q40 PolarHBondContact O-N 3.01Å; T38-L41 PolarHBondContact O-N 3.02Å
39D84.1Confident84.1Confident123 Ų12353.5 Ų53.566%0.65829%0.29SS*.G310 helixtrans-67.2-19.3179.864.9-48.9000113.3P37P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 PolarHBondContact O-N 2.96Å
40Q84.6Confident83.9Confident50 Ų5050.3 Ų50.323%0.23427%0.27CS..G310 helixtrans-91.6-6177.2-58.7-179.710.900112.9P37 T38 Q71 R72 P73P37-Q40 HydrophobicContact CB-CG 4.19Å; P37-Q40 PolarHBondContact O-N 3.44Å; P37-Q40 VanDerWaalsContact O-N 3.11Å; T38-Q40 PolarHBondContact O-N 3.01Å; Q40-Q71 HydrophobicContact CB-CG 4.11Å; Q40-Q71 CarbonylContact O-C 3.56Å; Q40-Q71 WeakPolarHBondContact O-CA 3.35Å; Q40-R72 CarbonylContact O-C 3.56Å; Q40-R72 PolarHBondContact O-N 3.33Å; Q40-P73 HydrophobicContact CG-CG 4.33Å
41L86.8Confident83.9Confident3 Ų357.1 Ų57.12%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-92.1132.8-176.8-59.9-177.7000111.3F7 K27 V30 A31 V36 T38 I69 Q71F7-L41 HydrophobicContact CE2-CD2 3.92Å; K27-L41 HydrophobicContact CB-CB 4.4Å; K27-L41 HydrophobicContact CB-CD1 4.41Å; K27-L41 HydrophobicContact CD-CB 4.27Å; K27-L41 WeakPolarHBondContact CD-O 3.41Å; K27-L41 WeakPolarHBondContact CE-O 3.39Å; K27-L41 HydrophobicContact CG-CB 4.15Å; K27-L41 PolarHBondContact NZ-O 2.98Å; K27-L41 WeakPolarHBondContact O-CD1 3.29Å; V30-L41 HydrophobicContact CG1-CD1 4.48Å; A31-L41 HydrophobicContact CB-CD1 3.86Å; V36-L41 HydrophobicContact CB-CD2 4.42Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; T38-L41 PolarHBondContact O-N 3.02Å; L41-I69 HydrophobicContact CB-CG2 3.98Å; L41-I69 HydrophobicContact CD1-CG2 4.28Å; L41-I69 HydrophobicContact CD2-CG2 3.87Å; L41-I69 HydrophobicContact CG-CG2 4.26Å; L41-Q71 HydrophobicContact CD2-CB 4.39Å
42R84.9Confident83.8Confident14 Ų1460.3 Ų60.35%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-118.8128.5172.8-61.7-178.872.6-168.65.2109.1E49 I69 V70 L266R42-E49 IonicContact CZ-OE1 3.52Å; R42-E49 IonicContact CZ-OE2 3.77Å; R42-E49 IonicContact NE-OE1 2.76Å; R42-E49 PolarHBondContact NE-OE1 2.89Å; R42-E49 IonicContact NE-OE2 3.77Å; R42-E49 IonicContact NH2-OE1 3.71Å; R42-E49 PolarHBondContact NH2-OE1 2.88Å; R42-E49 IonicContact NH2-OE2 3.66Å; R42-E49 PolarHBondContact NH2-OE2 2.78Å; R42-I69 WeakPolarHBondContact O-CA 3.26Å; R42-V70 PolarHBondContact N-O 2.99Å; R42-V70 PolarHBondContact O-N 3.33Å; R42-L266 HydrophobicContact CB-CD2 4.19Å; R42-L266 VanDerWaalsContact CZ-CD1 3.42Å
43V87.6Confident83.7Confident0 Ų056.9 Ų56.90%030%0.301CS..EExtended strand (participates in β ladder)trans-98.5128.9-179.9178.10000107.8I23 K27 E49 L50 V67 H68 I69I23-V43 HydrophobicContact CG2-CB 3.94Å; I23-V43 HydrophobicContact CG2-CG1 4.39Å; I23-V43 HydrophobicContact CG2-CG2 3.87Å; K27-V43 HydrophobicContact CD-CG2 4.21Å; K27-V43 HydrophobicContact CG-CG2 3.59Å; V43-E49 WeakPolarHBondContact O-CA 3.08Å; V43-L50 HydrophobicContact CB-CB 4.45Å; V43-L50 HydrophobicContact CG1-CB 4.3Å; V43-L50 HydrophobicContact CG1-CD1 3.98Å; V43-L50 HydrophobicContact CG1-CG 4.36Å; V43-L50 PolarHBondContact O-N 2.82Å; V43-V67 HydrophobicContact CG1-CB 4.38Å; V43-H68 CarbonylContact C-O 3.58Å; V43-H68 WeakPolarHBondContact CA-O 3.42Å; V43-I69 HydrophobicContact CG2-CD1 4Å; V43-I69 HydrophobicContact CG2-CG1 3.91Å
44I85.3Confident83.8Confident2 Ų255 Ų551%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-125.2127.1-178.5-46.4161.5000108K48 H68 V70 L266 T270I44-K48 CarbonylContact C-O 3.6Å; I44-K48 VanDerWaalsContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CA-O 3.39Å; I44-K48 WeakPolarHBondContact CG2-O 3.13Å; I44-H68 HydrophobicContact CB-CB 4.23Å; I44-H68 PolarHBondContact N-O 2.93Å; I44-H68 PolarHBondContact O-N 2.89Å; I44-V70 HydrophobicContact CD1-CB 4.43Å; I44-V70 HydrophobicContact CD1-CG2 3.62Å; I44-L266 HydrophobicContact CD1-CB 3.89Å; I44-L266 HydrophobicContact CD1-CD2 3.51Å; I44-L266 HydrophobicContact CD1-CG 4.16Å; I44-L266 HydrophobicContact CG1-CD2 4.07Å; I44-T270 HydrophobicContact CB-CG2 4.19Å; I44-T270 HydrophobicContact CD1-CG2 3.33Å; I44-T270 HydrophobicContact CG1-CG2 4.39Å; I44-T270 HydrophobicContact CG2-CG2 3.99Å
45F83.9Confident84Confident34 Ų3454.1 Ų54.115%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-127.3132.6174.5178-119.5000109.4G47 K48 L50 L61 I66 V67F45-G47 PolarHBondContact O-N 3.05Å; F45-K48 PolarHBondContact N-O 2.62Å; F45-K48 PolarHBondContact O-N 3.44Å; F45-K48 VanDerWaalsContact O-O 3.12Å; F45-L50 HydrophobicContact CB-CD1 3.71Å; F45-L50 HydrophobicContact CB-CD2 4.14Å; F45-L50 HydrophobicContact CB-CG 3.97Å; F45-L61 HydrophobicContact CB-CD2 4.38Å; F45-L61 HydrophobicContact CD1-CD2 3.73Å; F45-L61 HydrophobicContact CD2-CD2 3.55Å; F45-L61 HydrophobicContact CE1-CD2 3.79Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.61Å; F45-L61 HydrophobicContact CZ-CD2 3.74Å; F45-I66 WeakPolarHBondContact CD2-O 3.23Å; F45-V67 HydrophobicContact CB-CG1 4.28Å; F45-V67 HydrophobicContact CD2-CG1 3.98Å; F45-V67 HydrophobicContact CG-CG1 4.42Å
46A76.1Confident84Confident35 Ų3550.8 Ų50.829%0.28926%0.258SS..THydrogen-bonded Turntrans44.442.9-175.100000112.7K48 Y391A46-K48 VanDerWaalsContact C-N 3.25Å; A46-K48 PolarHBondContact O-N 2.85Å; A46-Y391 VanDerWaalsContact O-CD2 3.26Å; A46-Y391 WeakPolarHBondContact O-CD2 3.41Å
47G68Low83.8Confident24 Ų2456.3 Ų56.325%0.24728%0.282CS..THydrogen-bonded Turntrans69.24-179.300000117.1F45 Y391F45-G47 PolarHBondContact O-N 3.05Å; G47-Y391 VanDerWaalsContact CA-CD2 3.43Å; G47-Y391 VanDerWaalsContact O-CE2 3.26Å; G47-Y391 WeakPolarHBondContact O-CE2 3.27Å
48K76.1Confident83.5Confident139 Ų13958.4 Ų58.460%0.60429%0.29SS*.EExtended strand (participates in β ladder)trans-104.7141.4172.5-65.8-179-179.3177.70110.6I44 F45 A46I44-K48 CarbonylContact C-O 3.6Å; I44-K48 VanDerWaalsContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CA-O 3.39Å; I44-K48 WeakPolarHBondContact CG2-O 3.13Å; F45-K48 PolarHBondContact N-O 2.62Å; F45-K48 PolarHBondContact O-N 3.44Å; F45-K48 VanDerWaalsContact O-O 3.12Å; A46-K48 VanDerWaalsContact C-N 3.25Å; A46-K48 PolarHBondContact O-N 2.85Å
49E83.5Confident83.1Confident65 Ų6557.3 Ų57.330%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-74.6133.3173.6-179.2178.9-151.800110.6R42 V43R42-E49 IonicContact CZ-OE1 3.52Å; R42-E49 IonicContact CZ-OE2 3.77Å; R42-E49 IonicContact NE-OE1 2.76Å; R42-E49 PolarHBondContact NE-OE1 2.89Å; R42-E49 IonicContact NE-OE2 3.77Å; R42-E49 IonicContact NH2-OE1 3.71Å; R42-E49 PolarHBondContact NH2-OE1 2.88Å; R42-E49 IonicContact NH2-OE2 3.66Å; R42-E49 PolarHBondContact NH2-OE2 2.78Å; V43-E49 WeakPolarHBondContact O-CA 3.08Å
50L86.3Confident82.9Confident8 Ų857.7 Ų57.74%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-91.7132.9173.7-56.4-174.9000110.4I23 V43 F45 W54 C59 L61I23-L50 HydrophobicContact CD1-CB 4.15Å; I23-L50 HydrophobicContact CD1-CD1 3.66Å; I23-L50 HydrophobicContact CG1-CB 4.03Å; I23-L50 HydrophobicContact CG1-CD1 4.41Å; I23-L50 HydrophobicContact CG2-CB 4.17Å; V43-L50 HydrophobicContact CB-CB 4.45Å; V43-L50 HydrophobicContact CG1-CB 4.3Å; V43-L50 HydrophobicContact CG1-CD1 3.98Å; V43-L50 HydrophobicContact CG1-CG 4.36Å; V43-L50 PolarHBondContact O-N 2.82Å; F45-L50 HydrophobicContact CB-CD1 3.71Å; F45-L50 HydrophobicContact CB-CD2 4.14Å; F45-L50 HydrophobicContact CB-CG 3.97Å; L50-W54 HydrophobicContact CD2-CE3 4.14Å; L50-W54 HydrophobicContact CD2-CZ3 4.15Å; L50-C59 HydrophobicContact CD1-CB 4.05Å; L50-C59 HydrophobicContact CD2-CB 4.26Å; L50-L61 HydrophobicContact CD1-CD1 4.39Å
51R85.6Confident82.6Confident143 Ų14355.8 Ų55.854%0.5428%0.277SS..PPolyproline II helixtrans-81152.2-178.7-58.9173.649.2156.4-5.5111.5I23 D53 W54I23-R51 VanDerWaalsContact CB-O 3.31Å; I23-R51 WeakPolarHBondContact CB-O 3.42Å; R51-D53 WeakPolarHBondContact CB-OD1 3.14Å; R51-D53 IonicContact CZ-OD1 3.53Å; R51-D53 IonicContact CZ-OD2 2.94Å; R51-D53 IonicContact NE-OD1 3.72Å; R51-D53 PolarHBondContact NE-OD1 2.84Å; R51-D53 IonicContact NE-OD2 3.52Å; R51-D53 IonicContact NH2-OD1 3.91Å; R51-D53 IonicContact NH2-OD2 3.81Å; R51-D53 PolarHBondContact NH2-OD2 3.39Å; R51-D53 PolarHBondContact O-N 2.94Å; R51-W54 HydrophobicContact CB-CD2 4.26Å; R51-W54 HydrophobicContact CB-CG 4.25Å; R51-W54 HydrophobicContact CG-CZ2 4.45Å; R51-W54 PolarHBondContact O-N 2.84Å
52N86.6Confident82.2Confident74 Ų7461.2 Ų61.240%0.39631%0.306SS..THydrogen-bonded Turntrans-61.9-30.1-177.8-70.9-7.1000113.4F24 K27 W54F24-N52 HydrophobicContact CB-CB 4.23Å; K27-N52 WeakPolarHBondContact CE-OD1 3.45Å; K27-N52 PolarHBondContact NZ-OD1 3.02Å; N52-W54 VanDerWaalsContact C-N 3.31Å
53D87.2Confident82Confident99 Ų9965.2 Ų65.253%0.52933%0.325SS..THydrogen-bonded Turntrans-79.6-8.8-17951.5-43.6000113.7R51R51-D53 WeakPolarHBondContact CB-OD1 3.14Å; R51-D53 IonicContact CZ-OD1 3.53Å; R51-D53 IonicContact CZ-OD2 2.94Å; R51-D53 IonicContact NE-OD1 3.72Å; R51-D53 PolarHBondContact NE-OD1 2.84Å; R51-D53 IonicContact NE-OD2 3.52Å; R51-D53 IonicContact NH2-OD1 3.91Å; R51-D53 IonicContact NH2-OD2 3.81Å; R51-D53 PolarHBondContact NH2-OD2 3.39Å; R51-D53 PolarHBondContact O-N 2.94Å
54W87.1Confident81.5Confident98 Ų9869.3 Ų69.337%0.37135%0.345SS..  trans-85145.4178-65.3-0.6000111.3S22 I23 L50 R51 N52S22-W54 WeakPolarHBondContact CA-O 3Å; I23-W54 HydrophobicContact CG1-CB 4.34Å; I23-W54 WeakPolarHBondContact CG1-O 3.38Å; I23-W54 PolarHBondContact N-O 2.71Å; L50-W54 HydrophobicContact CD2-CE3 4.14Å; L50-W54 HydrophobicContact CD2-CZ3 4.15Å; R51-W54 HydrophobicContact CB-CD2 4.26Å; R51-W54 HydrophobicContact CB-CG 4.25Å; R51-W54 HydrophobicContact CG-CZ2 4.45Å; R51-W54 PolarHBondContact O-N 2.84Å; N52-W54 VanDerWaalsContact C-N 3.31Å
55T88.7Confident81.4Confident35 Ų3570.1 Ų70.122%0.21535%0.35CS..BIsolated β-bridgetrans-91.5162.1169.857.80000110.5T21 Q57 N58 C59T21-T55 CarbonylContact O-C 3.52Å; T21-T55 WeakPolarHBondContact O-CA 3.38Å; T55-Q57 PolarHBondContact O-N 3.35Å; T55-N58 PolarHBondContact O-N 2.8Å; T55-N58 VanDerWaalsContact O-N 3.07Å; T55-N58 VanDerWaalsContact OG1-CG 3.24Å; T55-N58 PolarHBondContact OG1-N 2.85Å; T55-N58 PolarHBondContact OG1-ND2 3.46Å; T55-C59 PolarHBondContact O-N 2.77Å; T55-C59 PolarHBondContact O-SG 2.89Å
56V83.9Confident81.4Confident3 Ų371.3 Ų71.32%0.01836%0.358CS..THydrogen-bonded Turntrans-53.1-42173.8168.60000111.3M1 V17 T21 N58 C59 L61M1-V56 HydrophobicContact CE-CG1 3.26Å; M1-V56 HydrophobicContact SD-CG1 4.39Å; V17-V56 HydrophobicContact CB-CG2 4.24Å; V17-V56 HydrophobicContact CG2-CG1 4.35Å; V17-V56 HydrophobicContact CG2-CG2 4.15Å; T21-V56 WeakPolarHBondContact O-CG2 3.1Å; T21-V56 PolarHBondContact O-N 3.2Å; V56-N58 PolarHBondContact O-N 3.31Å; V56-C59 PolarHBondContact O-N 3.26Å; V56-L61 HydrophobicContact CG1-CB 3.92Å; V56-L61 HydrophobicContact CG1-CD1 4.27Å; V56-L61 HydrophobicContact CG2-CD1 4.36Å
57Q80.1Confident82Confident137 Ų13769.7 Ų69.764%0.6434%0.344SS*.G310 helixtrans-63.2-38.5176.9-172.1177.25.600113.2S19 T55 C59 D60S19-Q57 WeakPolarHBondContact O-CB 3.33Å; S19-Q57 PolarHBondContact O-N 2.93Å; T55-Q57 PolarHBondContact O-N 3.35Å; Q57-C59 PolarHBondContact O-N 3.29Å; Q57-D60 PolarHBondContact O-N 3.49Å
58N81.8Confident82.8Confident107 Ų10769 Ų6957%0.57233%0.334SS*.G310 helixtrans-72.6-16.4178.1-69.9-7000113.1T55 V56T55-N58 PolarHBondContact O-N 2.8Å; T55-N58 VanDerWaalsContact O-N 3.07Å; T55-N58 VanDerWaalsContact OG1-CG 3.24Å; T55-N58 PolarHBondContact OG1-N 2.85Å; T55-N58 PolarHBondContact OG1-ND2 3.46Å; V56-N58 PolarHBondContact O-N 3.31Å
59C76.6Confident83.4Confident11 Ų1162.3 Ų62.37%0.07431%0.305CS..G310 helixtrans-93.92.1-178.7-61.70000113L50 T55 V56 Q57 L61L50-C59 HydrophobicContact CD1-CB 4.05Å; L50-C59 HydrophobicContact CD2-CB 4.26Å; T55-C59 PolarHBondContact O-N 2.77Å; T55-C59 PolarHBondContact O-SG 2.89Å; V56-C59 PolarHBondContact O-N 3.26Å; Q57-C59 PolarHBondContact O-N 3.29Å; C59-L61 HydrophobicContact CB-CD1 4.08Å; C59-L61 HydrophobicContact CB-CG 3.89Å; C59-L61 PolarHBondContact O-N 3.48Å
60D79.9Confident83.4Confident131 Ų13159.2 Ų59.270%0.70129%0.291SS*.THydrogen-bonded Turntrans48.440.9-173.2-60.4-37000112.3Q57Q57-D60 PolarHBondContact O-N 3.49Å
61L79.3Confident83.4Confident9 Ų961.7 Ų61.75%0.04730%0.302CS..PPolyproline II helixtrans-81.3119.5174.9-71.6172.9000109.1M1 F45 L50 V56 C59 V67M1-L61 HydrophobicContact CE-CB 3.85Å; M1-L61 WeakPolarHBondContact CE-O 3.41Å; F45-L61 HydrophobicContact CB-CD2 4.38Å; F45-L61 HydrophobicContact CD1-CD2 3.73Å; F45-L61 HydrophobicContact CD2-CD2 3.55Å; F45-L61 HydrophobicContact CE1-CD2 3.79Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.61Å; F45-L61 HydrophobicContact CZ-CD2 3.74Å; L50-L61 HydrophobicContact CD1-CD1 4.39Å; V56-L61 HydrophobicContact CG1-CB 3.92Å; V56-L61 HydrophobicContact CG1-CD1 4.27Å; V56-L61 HydrophobicContact CG2-CD1 4.36Å; C59-L61 HydrophobicContact CB-CD1 4.08Å; C59-L61 HydrophobicContact CB-CG 3.89Å; C59-L61 PolarHBondContact O-N 3.48Å; L61-V67 HydrophobicContact CD1-CG1 4.35Å; L61-V67 HydrophobicContact CD2-CG1 3.69Å
62D78.8Confident82.9Confident118 Ų11856.9 Ų56.963%0.63128%0.284SS*.PPolyproline II helixtrans-96.7169.5175.2-70-43000112.2Q64 S65D62-Q64 PolarHBondContact O-N 3.14Å; D62-S65 PolarHBondContact N-OG 3.22Å; D62-S65 WeakPolarHBondContact O-CB 3.44Å; D62-S65 PolarHBondContact O-N 2.82Å; D62-S65 PolarHBondContact O-OG 3.11Å
63Q79.1Confident82.1Confident97 Ų9756.5 Ų56.545%0.45329%0.286SS..THydrogen-bonded Turntrans-53.9132.2172.3-172.768.714.900110.4M1 S65M1-Q63 VanDerWaalsContact CA-OE1 3.24Å; M1-Q63 HydrophobicContact CG-CB 4.35Å; Q63-S65 VanDerWaalsContact C-N 3.27Å; Q63-S65 PolarHBondContact O-N 3.46Å
64Q78.1Confident80.6Confident87 Ų8758.9 Ų58.941%0.40729%0.287SS..THydrogen-bonded Turntrans67.815.8-175.8-58176.4-33.800115.3I2 F4 D62 F381I2-Q64 PolarHBondContact O-N 3.48Å; F4-Q64 HydrophobicContact CD2-CB 4.33Å; F4-Q64 HydrophobicContact CE2-CB 3.84Å; F4-Q64 HydrophobicContact CE2-CG 3.93Å; D62-Q64 PolarHBondContact O-N 3.14Å; Q64-F381 PolarHBondContact NE2-O 2.79Å
65S82.8Confident79.3Confident18 Ų1861.9 Ų61.913%0.12630%0.299CS..  trans-62141.1171.2-670000112V3 F4 D62 Q63V3-S65 WeakPolarHBondContact CA-O 3.39Å; F4-S65 PolarHBondContact N-O 2.9Å; D62-S65 PolarHBondContact N-OG 3.22Å; D62-S65 WeakPolarHBondContact O-CB 3.44Å; D62-S65 PolarHBondContact O-N 2.82Å; D62-S65 PolarHBondContact O-OG 3.11Å; Q63-S65 VanDerWaalsContact C-N 3.27Å; Q63-S65 PolarHBondContact O-N 3.46Å
66I84.6Confident77.3Confident60 Ų6067.3 Ų67.331%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-99.5120.8178-56.9171.4000109.3F4 R6 F45F4-I66 HydrophobicContact CB-CG1 4.22Å; F4-I66 CarbonylContact O-C 3.53Å; F4-I66 WeakPolarHBondContact O-CA 3.4Å; R6-I66 HydrophobicContact CG-CG2 4.04Å; F45-I66 WeakPolarHBondContact CD2-O 3.23Å
67V88Confident75.2Confident0 Ų070.6 Ų70.60%035%0.353CS..EExtended strand (participates in β ladder)trans-114.6141.4174.3-60.50000110.1F4 V5 R6 L26 V43 F45 L61F4-V67 PolarHBondContact O-N 3.43Å; V5-V67 CarbonylContact C-O 3.57Å; V5-V67 WeakPolarHBondContact CA-O 3.36Å; V5-V67 HydrophobicContact CB-CG2 4.35Å; V5-V67 HydrophobicContact CG2-CG2 3.73Å; R6-V67 PolarHBondContact N-O 3.02Å; L26-V67 HydrophobicContact CD2-CG2 4.41Å; V43-V67 HydrophobicContact CG1-CB 4.38Å; F45-V67 HydrophobicContact CB-CG1 4.28Å; F45-V67 HydrophobicContact CD2-CG1 3.98Å; F45-V67 HydrophobicContact CG-CG1 4.42Å; L61-V67 HydrophobicContact CD1-CG1 4.35Å; L61-V67 HydrophobicContact CD2-CG1 3.69Å
68H84.8Confident73.6Confident9 Ų969.3 Ų69.34%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-99.8135.2175.2-59.7-88.5000110R6 V43 I44 T270 D274R6-H68 WeakPolarHBondContact O-CA 3.15Å; V43-H68 CarbonylContact C-O 3.58Å; V43-H68 WeakPolarHBondContact CA-O 3.42Å; I44-H68 HydrophobicContact CB-CB 4.23Å; I44-H68 PolarHBondContact N-O 2.93Å; I44-H68 PolarHBondContact O-N 2.89Å; H68-T270 HydrophobicContact CB-CG2 4.07Å; H68-D274 IonicContact CE1-OD1 2.73Å; H68-D274 PolarHBondContact CE1-OD1 3.01Å; H68-D274 IonicContact CE1-OD2 3.91Å; H68-D274 IonicContact NE2-OD1 3.51Å; H68-D274 PolarHBondContact NE2-OD1 3.13Å; H68-D274 IonicContact NE2-OD2 2.74Å
69I87.9Confident71.1Confident0 Ų070.8 Ų70.80%035%0.351CS..EExtended strand (participates in β ladder)trans-114.6124.3169.4-62.8-174.5000108.6V5 R6 F7 V30 L41 R42 V43V5-I69 HydrophobicContact CG1-CB 4.24Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.8Å; R6-I69 PolarHBondContact O-N 3.47Å; F7-I69 HydrophobicContact CD2-CB 4.09Å; F7-I69 HydrophobicContact CD2-CG2 3.85Å; F7-I69 VanDerWaalsContact CD2-O 3.3Å; F7-I69 WeakPolarHBondContact CD2-O 3.31Å; F7-I69 HydrophobicContact CE2-CG2 4.34Å; V30-I69 HydrophobicContact CB-CD1 3.88Å; V30-I69 HydrophobicContact CG1-CD1 3.92Å; V30-I69 HydrophobicContact CG1-CG2 4.39Å; V30-I69 HydrophobicContact CG2-CD1 3.67Å; L41-I69 HydrophobicContact CB-CG2 3.98Å; L41-I69 HydrophobicContact CD1-CG2 4.28Å; L41-I69 HydrophobicContact CD2-CG2 3.87Å; L41-I69 HydrophobicContact CG-CG2 4.26Å; R42-I69 WeakPolarHBondContact O-CA 3.26Å; V43-I69 HydrophobicContact CG2-CD1 4Å; V43-I69 HydrophobicContact CG2-CG1 3.91Å
70V84.8Confident68.9Low0 Ų078.4 Ų78.40%039%0.387CS..EExtended strand (participates in β ladder)trans-118.8129.3-178.9-178.20000108.6R42 I44 R72 L266 V269R42-V70 PolarHBondContact N-O 2.99Å; R42-V70 PolarHBondContact O-N 3.33Å; I44-V70 HydrophobicContact CD1-CB 4.43Å; I44-V70 HydrophobicContact CD1-CG2 3.62Å; V70-R72 PolarHBondContact O-N 3.49Å; V70-L266 HydrophobicContact CB-CD2 4.25Å; V70-L266 HydrophobicContact CG1-CD2 4.44Å; V70-V269 HydrophobicContact CB-CG1 4.34Å; V70-V269 HydrophobicContact CG1-CB 4.1Å; V70-V269 HydrophobicContact CG1-CG1 3.91Å; V70-V269 HydrophobicContact CG1-CG2 4.17Å; V70-V269 HydrophobicContact CG2-CB 4.03Å; V70-V269 HydrophobicContact CG2-CG1 3.56Å
71Q85.3Confident66.4Low60 Ų6080.1 Ų80.128%0.2840%0.397SS..EExtended strand (participates in β ladder)trans-79.2111.8171.9-173-179.9-0.100109.3F7 V36 Q40 L41F7-Q71 HydrophobicContact CE2-CB 4.23Å; F7-Q71 HydrophobicContact CZ-CB 4.41Å; V36-Q71 VanDerWaalsContact CG1-CD 3.46Å; V36-Q71 HydrophobicContact CG1-CG 3.89Å; Q40-Q71 HydrophobicContact CB-CG 4.11Å; Q40-Q71 CarbonylContact O-C 3.56Å; Q40-Q71 WeakPolarHBondContact O-CA 3.35Å; L41-Q71 HydrophobicContact CD2-CB 4.39Å
72R76.2Confident64Low41 Ų4184.4 Ų84.416%0.15543%0.433CS..  trans-155.5120169.9-171.5170.4179.8175.61.4110.5Q40 V70 W74 L261 D262Q40-R72 CarbonylContact O-C 3.56Å; Q40-R72 PolarHBondContact O-N 3.33Å; V70-R72 PolarHBondContact O-N 3.49Å; R72-W74 PolarHBondContact O-N 3.28Å; R72-L261 PolarHBondContact NH1-O 3.45Å; R72-L261 PolarHBondContact NH2-O 2.86Å; R72-D262 IonicContact CZ-OD1 3.1Å; R72-D262 IonicContact NE-OD1 3.59Å; R72-D262 VanDerWaalsContact NH1-CA 3.27Å; R72-D262 PolarHBondContact NH1-O 2.84Å; R72-D262 IonicContact NH1-OD1 2.81Å; R72-D262 IonicContact NH2-OD1 2.66Å; R72-D262 PolarHBondContact NH2-OD1 2.89Å
73P68.6Low61.6Low66 Ų6685.9 Ų85.943%0.42945%0.447SS..  trans-60.8129.4176.5-17.628000111.3Q40 R75Q40-P73 HydrophobicContact CG-CG 4.33Å; P73-R75 PolarHBondContact O-N 2.97Å
74W57.5Low59Low150 Ų15084.9 Ų84.957%0.56846%0.462SS*.  trans-69.2121.8171.1-174.1-91.5000109.9R72R72-W74 PolarHBondContact O-N 3.28Å
75R59.9Low56.5Low160 Ų16084.2 Ų84.260%0.60448%0.479SS*.  trans-10298.2174.9-64.5-169.1-164.9-103.71.3109.8P73 G77P73-R75 PolarHBondContact O-N 2.97Å; R75-G77 PolarHBondContact O-N 3.35Å; R75-G77 VanDerWaalsContact O-N 3.15Å
76K46.4Very low53.8Low150 Ų15091.2 Ų91.265%0.65252%0.515SS*.  trans-78.520.6171.1-146.9-170-179.4-150.70113.6Q78 E79K76-Q78 PolarHBondContact O-N 3.48Å; K76-E79 WeakPolarHBondContact CE-OE1 3.48Å; K76-E79 IonicContact NZ-OE1 3.51Å; K76-E79 PolarHBondContact NZ-OE1 3.23Å; K76-E79 VanDerWaalsContact NZ-OE1 3.15Å
77G38.8Very low51Low71 Ų7195.9 Ų95.973%0.73254%0.54SS*.  trans-91.318.2-170.100000115.7R75R75-G77 PolarHBondContact O-N 3.35Å; R75-G77 VanDerWaalsContact O-N 3.15Å
78Q46.6Very low48Very low110 Ų110100.9 Ų100.951%0.51458%0.582SS.*  trans-136.559.1179.5-77.8178.6-48.800109.4K76 R245 S246K76-Q78 PolarHBondContact O-N 3.48Å; Q78-R245 VanDerWaalsContact CB-NH1 3.33Å; Q78-R245 VanDerWaalsContact OE1-NH2 3.13Å; Q78-S246 PolarHBondContact NE2-O 3.11Å
79E28.8Very low45.3Very low139 Ų139111.8 Ų111.865%0.6562%0.622SS**  trans-87.4120.8158.2-76.8175.5-176.900107.1K76 N81K76-E79 WeakPolarHBondContact CE-OE1 3.48Å; K76-E79 IonicContact NZ-OE1 3.51Å; K76-E79 PolarHBondContact NZ-OE1 3.23Å; K76-E79 VanDerWaalsContact NZ-OE1 3.15Å; E79-N81 PolarHBondContact O-N 3Å
80M30.6Very low42.3Very low170 Ų170119 Ų11984%0.83766%0.661SS**  trans-65.9127.4165-122.8152.4173.800107.1A82M80-A82 PolarHBondContact O-N 2.88Å
81N28.3Very low39.4Very low168 Ų168126.1 Ų126.190%0.89871%0.705SS**  trans-5597.5169.7-75.7-24.9000109.5E79E79-N81 PolarHBondContact O-N 3Å
82A27.6Very low36.5Very low98 Ų98128.4 Ų128.481%0.8173%0.734SS**  trans-87.3111.3162.400000107.3M80M80-A82 PolarHBondContact O-N 2.88Å
83T28.8Very low34Very low150 Ų150130.4 Ų130.492%0.9277%0.767SS**  trans-51.9131.2167.615.30000111.1
84G25.6Very low31.8Very low75 Ų75131.1 Ų131.177%0.77379%0.786SS**  trans-179.379.9169.200000109.8
85G25Very low30.2Very low73 Ų73129.6 Ų129.675%0.75380%0.798SS**  trans-74.3131.9167.400000109.7
86D25.8Very low28.5Very low165 Ų165129 Ų12988%0.88280%0.802SS**  trans-161.1146.9132.2-106.2-27.5000112.1
87N26.1Very low27.5Very low158 Ų158132.3 Ų132.385%0.84581%0.81SS**  trans-67.4143.3-168-70.8-66.4000115
88A25.4Very low27Very low105 Ų105137.7 Ų137.787%0.86882%0.816SS**  trans-153134.4141.700000112.1
89R27.4Very low26.2Very low238 Ų238137.5 Ų137.590%0.89883%0.825SS**  trans-78.5146.8-172.2-72166.1158161.7-7.2113.2
90N24Very low26.2Very low152 Ų152140.4 Ų140.481%0.81384%0.838SS**  trans26.9126.6144-64.3-8000120.6
91T24.6Very low25.9Very low149 Ų149137.1 Ų137.191%0.91483%0.832SS**  -153.6132.5118.125.20000110.8
92A24.6Very low25.9Very low108 Ų108137.6 Ų137.689%0.89383%0.833SS**  trans-81.4155.4-177.800000113
93G23.4Very low26Very low83 Ų83139.6 Ų139.686%0.85684%0.836SS**  trans-178.986.4166.800000109.5
94G22.8Very low25.9Very low81 Ų81144 Ų14484%0.83584%0.835SS**  trans-91.5169.9-173.300000115.2
95C22.8Very low26Very low119 Ų119147.2 Ų147.280%0.80484%0.84SS**  trans-155.7103.8143.2-1560000109.7
96E25.1Very low25.9Very low148 Ų148150.8 Ų150.869%0.69284%0.842SS**  trans28144.3140.9-50.1-160.5125.200121.2
97R26.4Very low25.9Very low218 Ų218151 Ų15182%0.82384%0.842SS**  cis-166.2150.5-6.6-104.6175.7-153.5-166.27.8107
98E26.7Very low25.9Very low185 Ų185148.5 Ų148.586%0.86484%0.837SS**  trans-59.9177.7169.4-69.2-174.313000114
99P31Very low26Very low106 Ų106148.3 Ų148.369%0.68883%0.829SS**  cis-139.9166.515.535.5-12.9000117.7S101P99-S101 PolarHBondContact O-N 2.98Å
100Q27.6Very low26Very low200 Ų200143 Ų14394%0.93583%0.828SS**  trans-76.8104.2167.6-73174.8-13.300110.4
101S26Very low26.2Very low101 Ų101141.6 Ų141.671%0.70683%0.825SS**  trans-89.4114.6171.4-54.70000110.1P99 T103P99-S101 PolarHBondContact O-N 2.98Å; S101-T103 PolarHBondContact O-N 2.84Å
102L26.9Very low26.3Very low177 Ų177141.6 Ų141.693%0.92782%0.818SS**  trans-71.9111.3164.9-72.2161.1000109.1
103T29.4Very low26.8Very low140 Ų140141.9 Ų141.986%0.85981%0.811SS**  trans-90.6124.9167.226.10000111.1S101S101-T103 PolarHBondContact O-N 2.84Å
104R26.6Very low26.9Very low242 Ų242140.9 Ų140.991%0.91380%0.801SS**  trans-64.7152173.3-70.4173.6144.9128.4-5.3112
105V28Very low27.1Very low144 Ų144145.1 Ų145.187%0.87381%0.805SS**  trans-113.9130.2150.2-179.80000107.5
106D23.9Very low27.3Very low147 Ų147144.5 Ų144.579%0.78680%0.802SS**  trans-83.8141.7-173.3-136.6-19.1000111.1
107L25.6Very low27.4Very low171 Ų171144.1 Ų144.190%0.89581%0.809SS**  trans-138.397.9168.6-73.7174.6000109
108S26.5Very low27.3Very low104 Ų104136.9 Ų136.973%0.72780%0.803SS**  trans-90.1144.1154.8600000107.4
109S27.5Very low27.3Very low101 Ų101136 Ų13671%0.70680%0.803SS**  cis-179.4145.723.825.40000107.5
110S27.5Very low27Very low126 Ų126135.1 Ų135.188%0.88181%0.805SS**  trans-172.1128.2136.9-79.30000109.4
111V27.8Very low26.8Very low123 Ų123131.4 Ų131.475%0.74580%0.796SS**  trans-105.7135.8-170.7-166.10000108
112L26.4Very low26.8Very low149 Ų149133.1 Ų133.178%0.7880%0.796SS**  148.1170.2109.4-79.7177.8000108.5
113P35.6Very low26.7Very low114 Ų114132.1 Ų132.174%0.7479%0.79SS**  -138169.3-60.139.2-20.7000114.4
114G24.8Very low26.6Very low63 Ų63133.7 Ų133.765%0.64979%0.787SS**  trans61.1115.314000000121.9
115D26.4Very low26.6Very low169 Ų169128.9 Ų128.990%0.90479%0.785SS**  -175138104.2-93.5-24.5000114.8
116S27.2Very low26.4Very low107 Ų107129.1 Ų129.175%0.74878%0.782SS**  trans-45.7154.7177.9-51.70000119.4
117V28.6Very low26.5Very low139 Ų139127.2 Ų127.284%0.84278%0.78SS**  156124.4102.4175.50000112.1
118G23.9Very low26.5Very low67 Ų67131 Ų13169%0.69178%0.782SS**  trans70.4141.9140.400000119.2
119L27.4Very low26.6Very low165 Ų165133.5 Ų133.586%0.86479%0.788SS**  cis-165.5131.310.3-119.1129.6000106.9
120A23Very low26.5Very low89 Ų89136 Ų13674%0.73679%0.793SS**  trans-87.7137.5166.200000109
121V24.5Very low26.5Very low122 Ų122135.7 Ų135.774%0.73979%0.791SS**  trans-120.6106.7160.6177.80000107.2L123V121-L123 HydrophobicContact CG1-CD1 4.44Å; V121-L123 HydrophobicContact CG1-CG 4.22Å
122I25.6Very low26.3Very low137 Ų137137.7 Ų137.770%0.70380%0.796SS**  trans-91.4123.9163.1-63.1173.2000105.9
123L25.3Very low26.4Very low156 Ų156136.5 Ų136.582%0.81780%0.797SS**  trans-126.2116.6157-75172.8000107.6V121V121-L123 HydrophobicContact CG1-CD1 4.44Å; V121-L123 HydrophobicContact CG1-CG 4.22Å
124H26.7Very low26Very low172 Ų172136.1 Ų136.180%0.79680%0.804SS**  trans-100.1131.3159.3-82.228.3000107.3
125T26.3Very low26.1Very low142 Ų142136.4 Ų136.487%0.87181%0.807SS**  trans-150.5147.5150.237.30000111.1
126D23.8Very low26.1Very low148 Ų148133.9 Ų133.979%0.79180%0.802SS**  trans-59.2146.7-161.2-67.4-68000120.3
127S26.3Very low26.5Very low107 Ų107134.4 Ų134.475%0.74880%0.804SS**  trans42.4105130.3-53.10000119.5
128R25.5Very low26.7Very low252 Ų252132 Ų13295%0.95180%0.798SS**  trans-156139.4137.9-107.6164.7-169.3-160.92.5111.7D130R128-D130 PolarHBondContact O-N 2.87Å
129N28.1Very low27.2Very low156 Ų156136.6 Ų136.683%0.83481%0.807SS**  trans-59.7116.1-173.5-159.124.9000111.8
130D25.2Very low28Very low154 Ų154137.5 Ų137.582%0.82480%0.799SS**  trans-150.7130.3157.2-94.3-36.2000110.8R128 L132R128-D130 PolarHBondContact O-N 2.87Å; D130-L132 PolarHBondContact O-N 2.94Å
131S27.3Very low29.5Very low119 Ų119139.2 Ų139.283%0.83280%0.802SS**PPolyproline II helixtrans-63.1118.1-167.8-37.80000113
132L25.4Very low31.2Very low165 Ų165139.6 Ų139.686%0.86480%0.799SS**PPolyproline II helixtrans-78.3130.9169-74.6158.9000110.2D130D130-L132 PolarHBondContact O-N 2.94Å
133P27.4Very low33.3Very low123 Ų123135.6 Ų135.680%0.79978%0.775SS**PPolyproline II helixtrans-71.7144.2173.429.7-31.9000110.8
134A27.6Very low35.9Very low106 Ų106129.2 Ų129.288%0.87674%0.742SS**PPolyproline II helixtrans-59.5142.5-172.300000115.1
135G26.5Very low38.4Very low70 Ų70121.1 Ų121.172%0.72271%0.705SS**  trans87.589.3137.100000117.1
136S26.6Very low41.5Very low115 Ų115114.4 Ų114.480%0.80466%0.663SS**  trans-60.7126.9154.3-49.40000109.5A138S136-A138 VanDerWaalsContact C-N 3.32Å; S136-A138 PolarHBondContact O-N 3.19Å
137P34.6Very low44.7Very low119 Ų119108.3 Ų108.377%0.77363%0.629SS**  trans-83.278.1176.932.7-30.7000109.7
138A33.5Very low48Very low87 Ų87103.2 Ų103.272%0.71959%0.594SS**  trans-83.1137.5159.100000108.2S136S136-A138 VanDerWaalsContact C-N 3.32Å; S136-A138 PolarHBondContact O-N 3.19Å
139D35.2Very low51.2Low164 Ų16492 Ų9288%0.87755%0.552SS**  trans79.656.3179.1-66.8-17.4000119
140R44.2Very low54.3Low185 Ų18584.7 Ų84.770%0.69851%0.512SS*.  trans-104.2127.3147.1-73.8-174.9-179.2-179.21.4109.5I142 C449R140-I142 PolarHBondContact O-N 2.82Å; R140-C449 PolarHBondContact NH1-O 2.96Å
141P53.2Low57.3Low124 Ų12484.3 Ų84.381%0.80550%0.503SS*.  trans-60.1130.6177.223.6-31.3000109.4Y143P141-Y143 PolarHBondContact O-N 2.91Å
142I60.1Low60.1Low130 Ų13079.8 Ų79.867%0.66748%0.476SS*.  trans-66.2105.2-179.8-57173.1000107.7R140 N144R140-I142 PolarHBondContact O-N 2.82Å; I142-N144 PolarHBondContact O-N 2.85Å; I142-N144 PolarHBondContact O-ND2 3.15Å
143Y71.5Confident63.1Low53 Ų5376.9 Ų76.921%0.20847%0.467CS..  trans-75.4112.3174.8-172.6-97.1000109.1P141 N448 H461 D464P141-Y143 PolarHBondContact O-N 2.91Å; Y143-N448 WeakPolarHBondContact CB-ND2 3.46Å; Y143-N448 VanDerWaalsContact CD1-ND2 3.3Å; Y143-N448 WeakPolarHBondContact CD1-ND2 3.27Å; Y143-N448 VanDerWaalsContact CG-ND2 3.26Å; Y143-H461 HydrophobicContact CD1-CB 3.73Å; Y143-H461 HydrophobicContact CE1-CB 4.12Å; Y143-H461 PolarHBondContact O-ND1 3.09Å; Y143-D464 PolarHBondContact OH-OD1 3.24Å
144N79.4Confident66.1Low23 Ų2372.4 Ų72.412%0.12344%0.438CS..  trans-111.1121.8174.7-63.9-64.8000108.7I142 P159 T231 D460I142-N144 PolarHBondContact O-N 2.85Å; I142-N144 PolarHBondContact O-ND2 3.15Å; N144-P159 HydrophobicContact CB-CB 4.02Å; N144-T231 PolarHBondContact O-OG1 2.78Å; N144-D460 CarbonylContact C-O 3.57Å; N144-D460 WeakPolarHBondContact CA-O 3.22Å; N144-D460 WeakPolarHBondContact OD1-CB 3.28Å
145S79.7Confident69Low2 Ų272.4 Ų72.41%0.01442%0.42CS..  trans-80-27.4174.8-68.10000111.9D460 H461 F463S145-D460 PolarHBondContact N-O 3.23Å; S145-H461 WeakPolarHBondContact OG-CA 3.47Å; S145-H461 VanDerWaalsContact OG-CB 3.24Å; S145-H461 WeakPolarHBondContact OG-CB 3.38Å; S145-F463 WeakPolarHBondContact CB-O 3.38Å; S145-F463 PolarHBondContact OG-O 3.29Å
146F89.6Confident72Confident0 Ų074.7 Ų74.70%041%0.407CS..  trans-115144-166.9-45-57.2000112.1P159 G160 L162 W183 F210 G459 W462 F463 V465F146-P159 WeakPolarHBondContact O-CA 3.38Å; F146-G160 PolarHBondContact O-N 3.07Å; F146-L162 HydrophobicContact CD2-CB 3.96Å; F146-L162 HydrophobicContact CE2-CB 3.76Å; F146-L162 HydrophobicContact CE2-CD2 4.02Å; F146-L162 HydrophobicContact CZ-CD2 4.02Å; F146-W183 HydrophobicContact CB-CH2 4.41Å; F146-W183 AromaticContact CD1-CH2 3.67Å; F146-W183 HydrophobicContact CD1-CH2 3.67Å; F146-W183 AromaticContact CD1-CZ2 3.9Å; F146-W183 HydrophobicContact CD1-CZ2 3.9Å; F146-W183 HydrophobicContact CD1-CZ3 4.35Å; F146-W183 HydrophobicContact CE1-CH2 4.5Å; F146-W183 HydrophobicContact CG-CH2 4.46Å; F146-F210 HydrophobicContact CB-CD1 4.24Å; F146-F210 HydrophobicContact CB-CE1 3.91Å; F146-F210 HydrophobicContact CD1-CE1 4.09Å; F146-F210 HydrophobicContact CD2-CE1 4.21Å; F146-F210 HydrophobicContact CG-CD1 4.49Å; F146-F210 AromaticContact CG-CE1 3.78Å; F146-F210 HydrophobicContact CG-CE1 3.78Å; F146-G459 WeakPolarHBondContact CD2-O 3.14Å; F146-W462 HydrophobicContact CE2-CB 4.42Å; F146-W462 HydrophobicContact CZ-CB 4.34Å; F146-F463 HydrophobicContact CD1-CZ 4.29Å; F146-F463 AromaticContact CE1-CD1 3.87Å; F146-F463 HydrophobicContact CE1-CD1 3.87Å; F146-F463 HydrophobicContact CE1-CD2 4.21Å; F146-F463 AromaticContact CE1-CE1 3.4Å; F146-F463 HydrophobicContact CE1-CE1 3.4Å; F146-F463 AromaticContact CE1-CE2 3.79Å; F146-F463 HydrophobicContact CE1-CE2 3.79Å; F146-F463 HydrophobicContact CE1-CG 4.26Å; F146-F463 AromaticContact CE1-CZ 3.36Å; F146-F463 HydrophobicContact CE1-CZ 3.36Å; F146-F463 AromaticContact CZ-CD1 3.66Å; F146-F463 HydrophobicContact CZ-CD1 3.66Å; F146-F463 AromaticContact CZ-CE1 3.55Å; F146-F463 HydrophobicContact CZ-CE1 3.55Å; F146-F463 HydrophobicContact CZ-CG 4.2Å; F146-F463 HydrophobicContact CZ-CZ 4.02Å; F146-V465 HydrophobicContact CE1-CG2 4.32Å
147Y92.8Very high75.1Confident21 Ų2170.4 Ų70.48%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-124.5144172.8-70.7-83.2000110.6V157 Q158 L226 I229 T231 P247Y147-V157 HydrophobicContact CD1-CG1 3.86Å; Y147-V157 HydrophobicContact CG-CG1 4.3Å; Y147-Q158 WeakPolarHBondContact CA-O 3.4Å; Y147-L226 PolarHBondContact O-N 3.46Å; Y147-I229 HydrophobicContact CD1-CG2 4.45Å; Y147-I229 HydrophobicContact CD2-CB 4.35Å; Y147-I229 HydrophobicContact CD2-CG2 3.66Å; Y147-I229 HydrophobicContact CE2-CG2 4.34Å; Y147-I229 HydrophobicContact CG-CB 4.4Å; Y147-I229 HydrophobicContact CG-CG2 3.72Å; Y147-T231 VanDerWaalsContact CE2-OG1 3.3Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.07Å; Y147-T231 PolarHBondContact OH-OG1 3.38Å; Y147-P247 HydrophobicContact CD1-CB 4.4Å; Y147-P247 HydrophobicContact CD1-CG 4.15Å; Y147-P247 HydrophobicContact CD2-CB 4.2Å; Y147-P247 HydrophobicContact CE1-CB 3.87Å; Y147-P247 HydrophobicContact CE1-CG 3.68Å; Y147-P247 HydrophobicContact CE2-CB 3.64Å; Y147-P247 HydrophobicContact CE2-CG 4.37Å; Y147-P247 VanDerWaalsContact CZ-CB 3.45Å
148V94.1Very high77.9Confident0 Ų065.9 Ų65.90%034%0.344CS..EExtended strand (participates in β ladder)trans-132.3154178.5-64.10000110.6V157 Q158 F210 V224V148-V157 WeakPolarHBondContact O-CA 3.45Å; V148-Q158 PolarHBondContact N-O 2.93Å; V148-Q158 PolarHBondContact O-N 3.05Å; V148-F210 HydrophobicContact CG1-CB 3.61Å; V148-F210 HydrophobicContact CG1-CD1 4.36Å; V148-F210 HydrophobicContact CG1-CG 4.3Å; V148-V224 VanDerWaalsContact CA-O 3.24Å; V148-V224 WeakPolarHBondContact CA-O 3.39Å; V148-V224 WeakPolarHBondContact CB-O 3.37Å
149Y94.3Very high80.6Confident17 Ų1763.2 Ų63.27%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-88.7111.9164.1-175.4-98.2000109.7V224 R305 I306Y149-V224 PolarHBondContact N-O 3.15Å; Y149-V224 VanDerWaalsContact N-O 3.15Å; Y149-R305 HydrophobicContact CD1-CB 3.91Å; Y149-R305 HydrophobicContact CD2-CB 4.13Å; Y149-R305 HydrophobicContact CE1-CB 4.06Å; Y149-R305 HydrophobicContact CE2-CB 4.28Å; Y149-R305 WeakPolarHBondContact CE2-O 3.32Å; Y149-R305 HydrophobicContact CG-CB 3.94Å; Y149-I306 HydrophobicContact CD2-CG2 4.38Å
150C92.7Very high83.2Confident1 Ų155.5 Ų55.51%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-88.2112.4175.9171.30000109.6G152 C154 Q155 R156 Q158 C212 H215C150-G152 VanDerWaalsContact C-N 3.26Å; C150-G152 PolarHBondContact O-N 2.89Å; C150-G152 PolarHBondContact SG-O 3.37Å; C150-G152 VanDerWaalsContact SG-O 3.36Å; C150-C154 HydrophobicContact CB-CB 3.8Å; C150-C154 VanDerWaalsContact SG-CB 3.58Å; C150-Q155 VanDerWaalsContact O-CA 3.23Å; C150-Q155 WeakPolarHBondContact O-CA 3.41Å; C150-Q155 PolarHBondContact O-N 3.49Å; C150-R156 PolarHBondContact N-O 3.11Å; C150-R156 PolarHBondContact O-N 2.85Å; C150-Q158 HydrophobicContact CB-CG 4.23Å; C150-C212 HydrophobicContact CB-CB 4.01Å; C150-H215 PolarHBondContact SG-NE2 3.29Å
151K88.2Confident85.3Confident146 Ų14649.3 Ų49.364%0.63526%0.257SS*.THydrogen-bonded Turntrans-64.9-25.1-179.362.8179.9178.4179.80114.3Q155K151-Q155 WeakPolarHBondContact O-CG 3.26Å
152G86.2Confident87Confident24 Ų2443.4 Ų43.425%0.24722%0.219CC..THydrogen-bonded Turntrans179143.3179.900000109.9C150C150-G152 VanDerWaalsContact C-N 3.26Å; C150-G152 PolarHBondContact O-N 2.89Å; C150-G152 PolarHBondContact SG-O 3.37Å; C150-G152 VanDerWaalsContact SG-O 3.36Å
153P88.2Confident88.4Confident104 Ų10440.4 Ų40.468%0.67520%0.199SC*.THydrogen-bonded Turncis-79.6-31.632.1-36.8000115.1
154C89.6Confident89.2Confident29 Ų2939 Ų3920%0.19620%0.195CC..THydrogen-bonded Turntrans-77.4-37-171.2-61.50000115.2C150 R156 Q158 H215C150-C154 HydrophobicContact CB-CB 3.8Å; C150-C154 VanDerWaalsContact SG-CB 3.58Å; C154-R156 HydrophobicContact CB-CG 4.16Å; C154-R156 WeakPolarHBondContact O-CG 3.44Å; C154-R156 PolarHBondContact O-N 3.09Å; C154-R156 VanDerWaalsContact O-N 3.14Å; C154-Q158 HydrophobicContact CB-CG 3.86Å; C154-Q158 PolarHBondContact SG-NE2 3.07Å; C154-Q158 VanDerWaalsContact SG-NE2 3.41Å; C154-H215 VanDerWaalsContact SG-CD2 3.55Å
155Q89.6Confident89.7Confident107 Ų10739.3 Ų39.350%0.520%0.196SC..  trans49.935.3-174.1-66.1179.1-22.200114.3C150 K151 E309C150-Q155 VanDerWaalsContact O-CA 3.23Å; C150-Q155 WeakPolarHBondContact O-CA 3.41Å; C150-Q155 PolarHBondContact O-N 3.49Å; K151-Q155 WeakPolarHBondContact O-CG 3.26Å; Q155-E309 PolarHBondContact NE2-OE1 2.82Å
156R88.7Confident90.2Very high117 Ų11739.2 Ų39.244%0.44220%0.195SC..EExtended strand (participates in β ladder)trans-157.2172-178.567.7-174.6179.8177.4-6.5112C150 C154 Q158C150-R156 PolarHBondContact N-O 3.11Å; C150-R156 PolarHBondContact O-N 2.85Å; C154-R156 HydrophobicContact CB-CG 4.16Å; C154-R156 WeakPolarHBondContact O-CG 3.44Å; C154-R156 PolarHBondContact O-N 3.09Å; C154-R156 VanDerWaalsContact O-N 3.14Å; R156-Q158 HydrophobicContact CG-CG 4.29Å; R156-Q158 PolarHBondContact O-N 3.5Å
157V92.6Very high90.2Very high26 Ų2640.9 Ų40.916%0.15821%0.207CC..EExtended strand (participates in β ladder)trans-63.3130170.6-177.50000109.7Y147 V148 L226 I229 L261 I306Y147-V157 HydrophobicContact CD1-CG1 3.86Å; Y147-V157 HydrophobicContact CG-CG1 4.3Å; V148-V157 WeakPolarHBondContact O-CA 3.45Å; V157-L226 HydrophobicContact CG1-CD1 4.17Å; V157-L226 HydrophobicContact CG2-CD1 3.88Å; V157-I229 HydrophobicContact CG1-CD1 4.13Å; V157-I229 HydrophobicContact CG2-CD1 4.17Å; V157-L261 HydrophobicContact CB-CD1 4.37Å; V157-L261 HydrophobicContact CG1-CD1 4.38Å; V157-L261 HydrophobicContact CG2-CD1 4.27Å; V157-I306 HydrophobicContact CG2-CB 3.68Å; V157-I306 HydrophobicContact CG2-CG2 3.33Å
158Q92.6Very high90.1Very high23 Ų2343.8 Ų43.811%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-136.2157.7179-68-68.97.900110.3Y147 V148 C150 C154 R156 G160 A214Y147-Q158 WeakPolarHBondContact CA-O 3.4Å; V148-Q158 PolarHBondContact N-O 2.93Å; V148-Q158 PolarHBondContact O-N 3.05Å; C150-Q158 HydrophobicContact CB-CG 4.23Å; C154-Q158 HydrophobicContact CB-CG 3.86Å; C154-Q158 PolarHBondContact SG-NE2 3.07Å; C154-Q158 VanDerWaalsContact SG-NE2 3.41Å; R156-Q158 HydrophobicContact CG-CG 4.29Å; R156-Q158 PolarHBondContact O-N 3.5Å; Q158-G160 PolarHBondContact O-N 2.9Å; Q158-A214 HydrophobicContact CB-CB 4.47Å; Q158-A214 HydrophobicContact CG-CB 4.2Å
159P91.1Very high89.9Confident32 Ų3245.7 Ų45.721%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-54.5133.9166.8-24.435.1000110.8N144 F146 G213N144-P159 HydrophobicContact CB-CB 4.02Å; F146-P159 WeakPolarHBondContact O-CA 3.38Å; P159-G213 WeakPolarHBondContact O-CA 3.22Å; P159-G213 PolarHBondContact O-N 2.77Å
160G89.4Confident89.6Confident1 Ų153.5 Ų53.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-96.3142.8-179.900000111.9F146 Q158 K211F146-G160 PolarHBondContact O-N 3.07Å; Q158-G160 PolarHBondContact O-N 2.9Å; G160-K211 CarbonylContact C-O 3.56Å; G160-K211 WeakPolarHBondContact CA-O 3.27Å
161K87.2Confident89.2Confident56 Ų5657.8 Ų57.824%0.24329%0.289CS..EExtended strand (participates in β ladder)trans-104114.4169.7-75173.9-179.4159.30109.4F210 K211 G213 G459K161-F210 WeakPolarHBondContact O-CA 3.33Å; K161-K211 PolarHBondContact N-O 3.46Å; K161-K211 PolarHBondContact O-N 3.04Å; K161-G213 PolarHBondContact NZ-O 3.37Å; K161-G459 WeakPolarHBondContact CA-O 3.16Å
162L90.1Very high88.9Confident0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-74.2136.3173.8178.360.4000110.5F146 P180 V186 F208 F210 G459 W462 F463F146-L162 HydrophobicContact CD2-CB 3.96Å; F146-L162 HydrophobicContact CE2-CB 3.76Å; F146-L162 HydrophobicContact CE2-CD2 4.02Å; F146-L162 HydrophobicContact CZ-CD2 4.02Å; L162-P180 HydrophobicContact CD2-CG 4.25Å; L162-V186 HydrophobicContact CD1-CG1 4.23Å; L162-V186 HydrophobicContact CD2-CG1 4.05Å; L162-F208 HydrophobicContact CD1-CB 4.1Å; L162-F208 HydrophobicContact CD1-CD1 3.87Å; L162-F208 HydrophobicContact CD1-CG 4.37Å; L162-F208 HydrophobicContact CG-CD1 4.43Å; L162-F210 HydrophobicContact CB-CD1 4.27Å; L162-F210 HydrophobicContact CB-CE1 3.99Å; L162-F210 HydrophobicContact CD1-CD1 4.29Å; L162-F210 HydrophobicContact CD1-CD2 4.36Å; L162-F210 HydrophobicContact CD1-CE1 3.8Å; L162-F210 HydrophobicContact CD1-CE2 3.89Å; L162-F210 HydrophobicContact CD1-CZ 3.6Å; L162-F210 HydrophobicContact CG-CE1 4.39Å; L162-G459 PolarHBondContact N-O 3.25Å; L162-W462 HydrophobicContact CD2-CB 3.88Å; L162-W462 HydrophobicContact CD2-CD2 4.31Å; L162-W462 HydrophobicContact CD2-CE3 3.73Å; L162-W462 HydrophobicContact CD2-CG 4.42Å; L162-W462 HydrophobicContact CG-CE3 4Å; L162-F463 HydrophobicContact CD2-CD1 4.48Å; L162-F463 HydrophobicContact CD2-CE1 4.19Å
163R88.1Confident89Confident67 Ų6755.6 Ų55.625%0.25329%0.291SS..EExtended strand (participates in β ladder)trans-140.1158.7177.2-64.1-66.5-179.4-97.45.7109.6F208 F209R163-F208 WeakPolarHBondContact O-CA 3.29Å; R163-F209 HydrophobicContact CB-CD1 4.43Å; R163-F209 HydrophobicContact CB-CD2 3.89Å; R163-F209 HydrophobicContact CB-CE1 3.92Å; R163-F209 HydrophobicContact CB-CE2 3.28Å; R163-F209 HydrophobicContact CB-CG 4.43Å; R163-F209 HydrophobicContact CB-CZ 3.34Å; R163-F209 HydrophobicContact CG-CE2 3.79Å; R163-F209 HydrophobicContact CG-CZ 4.14Å; R163-F209 PolarHBondContact N-O 3.48Å; R163-F209 PolarHBondContact O-N 2.75Å
164V89.8Confident88.9Confident22 Ų2251.3 Ų51.313%0.13326%0.263CS..EExtended strand (participates in β ladder)trans-130.2142.7179.363.90000109.9L174 L176 A206 E207 F208 W462V164-L174 HydrophobicContact CG2-CD2 4.43Å; V164-L176 HydrophobicContact CG1-CD1 4.44Å; V164-L176 HydrophobicContact CG2-CD1 4.37Å; V164-L176 HydrophobicContact CG2-CD2 4.25Å; V164-L176 HydrophobicContact CG2-CG 4.45Å; V164-A206 HydrophobicContact CG2-CB 3.96Å; V164-E207 WeakPolarHBondContact CA-O 3.09Å; V164-F208 HydrophobicContact CB-CD1 3.82Å; V164-F208 HydrophobicContact CB-CE1 3.73Å; V164-F208 HydrophobicContact CG2-CD1 4.01Å; V164-F208 HydrophobicContact CG2-CE1 3.75Å; V164-F208 HydrophobicContact CG2-CZ 4.12Å; V164-W462 HydrophobicContact CG1-CH2 3.94Å; V164-W462 HydrophobicContact CG1-CZ3 4.19Å
165Q89.1Confident88.8Confident30 Ų3053.9 Ų53.914%0.1428%0.278CS..EExtended strand (participates in β ladder)trans-138.1164.3170.664.4-172.225.200110.7Q171 E207 F209Q165-Q171 WeakPolarHBondContact CA-O 3.34Å; Q165-Q171 WeakPolarHBondContact CB-O 3.3Å; Q165-E207 HydrophobicContact CG-CB 4.05Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 3.11Å; Q165-E207 PolarHBondContact NE2-OE2 3.3Å; Q165-E207 PolarHBondContact O-N 3.33Å; Q165-F209 HydrophobicContact CB-CE1 3.94Å; Q165-F209 HydrophobicContact CG-CD1 3.97Å; Q165-F209 HydrophobicContact CG-CE1 3.72Å
166C89.8Confident88.8Confident0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-69.3128.2169.6176.10000109.6T168 C169 R170 Q171 L174 C196C166-T168 PolarHBondContact O-N 3.35Å; C166-T168 PolarHBondContact SG-N 3.38Å; C166-T168 VanDerWaalsContact SG-N 3.44Å; C166-C169 VanDerWaalsContact CB-SG 3.54Å; C166-R170 WeakPolarHBondContact O-CA 3.33Å; C166-R170 PolarHBondContact O-N 3.15Å; C166-Q171 PolarHBondContact N-O 3.41Å; C166-L174 HydrophobicContact CB-CB 4.08Å; C166-L174 HydrophobicContact CB-CD1 4.11Å; C166-C196 HydrophobicContact CB-CB 4.4Å
167S91.1Very high88.7Confident35 Ų3549.8 Ų49.825%0.24527%0.272CS..THydrogen-bonded Turntrans-59.9-28.8177.665.80000113.5T205S167-T205 WeakPolarHBondContact CB-OG1 3.32Å; S167-T205 PolarHBondContact N-O 2.97Å; S167-T205 VanDerWaalsContact N-O 3.13Å; S167-T205 PolarHBondContact OG-O 3.23Å; S167-T205 PolarHBondContact OG-OG1 3.15Å
168T90.9Very high88.3Confident82 Ų8254.8 Ų54.850%0.50329%0.294SS..THydrogen-bonded Turntrans-85.2-53.9-172.3-51.90000111.8C166 G203C166-T168 PolarHBondContact O-N 3.35Å; C166-T168 PolarHBondContact SG-N 3.38Å; C166-T168 VanDerWaalsContact SG-N 3.44Å; T168-G203 WeakPolarHBondContact OG1-CA 3.46Å
169C89Confident88Confident41 Ų4154.5 Ų54.528%0.27730%0.297SS..THydrogen-bonded Turntrans-96.5-7.8-178.967.90000114.1C166 Q171 C196C166-C169 VanDerWaalsContact CB-SG 3.54Å; C169-Q171 HydrophobicContact CB-CG 4.44Å; C169-Q171 PolarHBondContact O-N 3.18Å; C169-C196 VanDerWaalsContact SG-SG 3.64Å
170R87.1Confident87.9Confident180 Ų18053 Ų5368%0.67929%0.287SS*.  trans55.927.1-176.9-60.5-177.1174.8176.1-0.9114.4C166C166-R170 WeakPolarHBondContact O-CA 3.33Å; C166-R170 PolarHBondContact O-N 3.15Å
171Q84.1Confident87.8Confident91 Ų9155 Ų5543%0.42530%0.301SS..SBendtrans-102148.9174.3-63.3178.9-12.500110.4Q165 C166 C169 T173 S198Q165-Q171 WeakPolarHBondContact CA-O 3.34Å; Q165-Q171 WeakPolarHBondContact CB-O 3.3Å; C166-Q171 PolarHBondContact N-O 3.41Å; C169-Q171 HydrophobicContact CB-CG 4.44Å; C169-Q171 PolarHBondContact O-N 3.18Å; Q171-T173 HydrophobicContact CB-CG2 4.15Å; Q171-T173 PolarHBondContact O-N 2.75Å; Q171-S198 PolarHBondContact OE1-OG 3.22Å
172A83.5Confident87.8Confident76 Ų7654.5 Ų54.563%0.62830%0.304SS*.THydrogen-bonded Turntrans-77.644.2175.300000112.4
173T86.8Confident87.7Confident48 Ų4855.9 Ų55.929%0.29431%0.309SS..THydrogen-bonded Turntrans-111.25.9-177.350.30000112.5Q171 C196 Q197Q171-T173 HydrophobicContact CB-CG2 4.15Å; Q171-T173 PolarHBondContact O-N 2.75Å; T173-C196 PolarHBondContact OG1-SG 2.93Å; T173-Q197 WeakPolarHBondContact O-CB 3.41Å; T173-Q197 WeakPolarHBondContact O-CG 3.19Å; T173-Q197 PolarHBondContact O-N 2.92Å
174L87.5Confident87.8Confident14 Ų1457.4 Ų57.47%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-81.1121.4177.9-165.582.3000110.8V164 C166 L176 C196 A206V164-L174 HydrophobicContact CG2-CD2 4.43Å; C166-L174 HydrophobicContact CB-CB 4.08Å; C166-L174 HydrophobicContact CB-CD1 4.11Å; L174-L176 HydrophobicContact CD2-CD2 4.23Å; L174-C196 HydrophobicContact CD1-CB 4.01Å; L174-A206 HydrophobicContact CD2-CB 3.52Å
175T87.1Confident87.8Confident83 Ų8357 Ų5751%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-93.7117.5171.4-56.20000108.8G194 E195T175-G194 CarbonylContact O-C 3.46Å; T175-G194 WeakPolarHBondContact O-CA 3.43Å; T175-E195 PolarHBondContact N-O 2.91Å; T175-E195 PolarHBondContact O-N 2.8Å
176L88.8Confident87.9Confident30 Ų3056.1 Ų56.116%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-73144-178.4-69172000111.6V164 L174 Q178 M192 A206 F208 W462V164-L176 HydrophobicContact CG1-CD1 4.44Å; V164-L176 HydrophobicContact CG2-CD1 4.37Å; V164-L176 HydrophobicContact CG2-CD2 4.25Å; V164-L176 HydrophobicContact CG2-CG 4.45Å; L174-L176 HydrophobicContact CD2-CD2 4.23Å; L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 WeakPolarHBondContact CB-O 3.28Å; L176-M192 HydrophobicContact CD2-CB 4.48Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; L176-F208 HydrophobicContact CD1-CE1 4.12Å; L176-F208 HydrophobicContact CD1-CZ 3.93Å; L176-F208 HydrophobicContact CD2-CZ 4.26Å; L176-W462 HydrophobicContact CD1-CH2 3.78Å; L176-W462 HydrophobicContact CD1-CZ2 3.82Å
177T86.8Confident87.9Confident109 Ų10959.7 Ų59.767%0.66934%0.335SS*.SBendtrans-65.8-39.4172.6-46.50000111.2S193T177-S193 PolarHBondContact N-O 3.19Å; T177-S193 VanDerWaalsContact N-O 3.17Å; T177-S193 PolarHBondContact OG1-O 3.26Å
178Q85.6Confident87.8Confident131 Ų13162 Ų6261%0.61234%0.344SS*.SBendtrans-146.5152.117465.2-177.536.900109.5L176 M192L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 WeakPolarHBondContact CB-O 3.28Å; Q178-M192 HydrophobicContact CG-CE 3.92Å; Q178-M192 WeakPolarHBondContact O-CE 3.43Å
179G85Confident87.6Confident17 Ų1763.2 Ų63.218%0.17535%0.352CS..  trans-71.5153.1174.800000112.5
180P89.6Confident87.6Confident0 Ų066.3 Ų66.30%037%0.367CS..  trans-60.7146.6174.626-35.9000111.5L162 D185 V186 M192 F208 W462 F463L162-P180 HydrophobicContact CD2-CG 4.25Å; P180-D185 HydrophobicContact CB-CB 3.95Å; P180-V186 HydrophobicContact CB-CG1 3.64Å; P180-V186 HydrophobicContact CG-CG1 4.11Å; P180-M192 HydrophobicContact CB-SD 3.82Å; P180-F208 HydrophobicContact CB-CZ 4.41Å; P180-F208 HydrophobicContact CG-CE1 4.13Å; P180-F208 HydrophobicContact CG-CZ 4.28Å; P180-W462 HydrophobicContact CG-CB 4.36Å; P180-W462 HydrophobicContact CG-CD2 3.76Å; P180-W462 HydrophobicContact CG-CE3 4.23Å; P180-W462 HydrophobicContact CG-CG 3.8Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.31Å
181S87.4Confident87.8Confident42 Ų4265.4 Ų65.429%0.29436%0.363SS..  trans-122.3-17.2-175.768.10000114.1D185 G430S181-D185 PolarHBondContact N-OD2 3.38Å; S181-D185 PolarHBondContact OG-OD2 3.28Å; S181-G430 WeakPolarHBondContact O-CA 3.36Å
182C87.1Confident88Confident46 Ų4661.7 Ų61.731%0.31135%0.346SS..SBendtrans-152.3176.1179.165.40000111.7D184 D185C182-D184 VanDerWaalsContact C-N 3.31Å; C182-D184 PolarHBondContact O-N 2.76Å; C182-D185 PolarHBondContact N-OD2 3.11Å; C182-D185 WeakPolarHBondContact O-CB 3.49Å; C182-D185 PolarHBondContact O-N 3.25Å
183W88.1Confident88.4Confident30 Ų3061.4 Ų61.411%0.11434%0.339CS..Hα-helixtrans-61.8-35.1176.2-77.9113.3000113.6F146 D185 V186 L187 F210 A225 H227 F463 V465F146-W183 HydrophobicContact CB-CH2 4.41Å; F146-W183 AromaticContact CD1-CH2 3.67Å; F146-W183 HydrophobicContact CD1-CH2 3.67Å; F146-W183 AromaticContact CD1-CZ2 3.9Å; F146-W183 HydrophobicContact CD1-CZ2 3.9Å; F146-W183 HydrophobicContact CD1-CZ3 4.35Å; F146-W183 HydrophobicContact CE1-CH2 4.5Å; F146-W183 HydrophobicContact CG-CH2 4.46Å; W183-D185 PolarHBondContact O-N 3.45Å; W183-V186 HydrophobicContact CE3-CG2 3.83Å; W183-V186 HydrophobicContact CZ3-CG2 4.4Å; W183-V186 VanDerWaalsContact O-CG2 3.23Å; W183-V186 WeakPolarHBondContact O-CG2 3.39Å; W183-V186 PolarHBondContact O-N 3.29Å; W183-V186 VanDerWaalsContact O-N 3.1Å; W183-L187 HydrophobicContact CB-CD1 4.1Å; W183-L187 HydrophobicContact CE3-CD1 4.05Å; W183-L187 HydrophobicContact CE3-CD2 4.33Å; W183-L187 HydrophobicContact CE3-CG 4.11Å; W183-L187 WeakPolarHBondContact O-CB 3.45Å; W183-L187 WeakPolarHBondContact O-CG 3.47Å; W183-L187 PolarHBondContact O-N 3.34Å; W183-F210 HydrophobicContact CE3-CZ 4.36Å; W183-F210 HydrophobicContact CH2-CE1 4.32Å; W183-F210 HydrophobicContact CH2-CZ 4.24Å; W183-F210 HydrophobicContact CZ3-CE1 4.05Å; W183-F210 HydrophobicContact CZ3-CE2 4.26Å; W183-F210 AromaticContact CZ3-CZ 3.52Å; W183-F210 HydrophobicContact CZ3-CZ 3.52Å; W183-A225 HydrophobicContact CH2-CB 4.43Å; W183-A225 HydrophobicContact CZ3-CB 4.02Å; W183-H227 HydrophobicContact CD2-CB 3.6Å; W183-H227 HydrophobicContact CE3-CB 3.76Å; W183-H227 HydrophobicContact CG-CB 4.09Å; W183-H227 HydrophobicContact CH2-CB 4.17Å; W183-H227 HydrophobicContact CZ2-CB 4.02Å; W183-H227 HydrophobicContact CZ3-CB 4.03Å; W183-F463 HydrophobicContact CD2-CE2 4.26Å; W183-F463 AromaticContact CD2-CZ 3.96Å; W183-F463 HydrophobicContact CD2-CZ 3.96Å; W183-F463 HydrophobicContact CE3-CZ 4.15Å; W183-F463 HydrophobicContact CG-CE2 4.21Å; W183-F463 HydrophobicContact CG-CZ 4.22Å; W183-V465 HydrophobicContact CZ2-CG1 4.43Å
184D89.1Confident88.6Confident98 Ų9859.5 Ų59.552%0.52433%0.329SS..Hα-helixtrans-63.3-33.7-179.1-65.6-17.9000111.9C182 V186 I188C182-D184 VanDerWaalsContact C-N 3.31Å; C182-D184 PolarHBondContact O-N 2.76Å; D184-V186 PolarHBondContact O-N 3.2Å; D184-I188 HydrophobicContact CB-CD1 3.87Å; D184-I188 HydrophobicContact CB-CG1 4.45Å; D184-I188 VanDerWaalsContact O-CB 3.29Å; D184-I188 WeakPolarHBondContact O-CB 3.3Å; D184-I188 WeakPolarHBondContact O-CG1 3.42Å; D184-I188 PolarHBondContact O-N 3.49Å; D184-I188 VanDerWaalsContact O-N 3.15Å
185D90.4Very high88.8Confident14 Ų1465.3 Ų65.38%0.07536%0.356CS..Hα-helixtrans-63.3-30.5177.2-70.9-24000112.4P180 S181 C182 W183 M192 F208P180-D185 HydrophobicContact CB-CB 3.95Å; S181-D185 PolarHBondContact N-OD2 3.38Å; S181-D185 PolarHBondContact OG-OD2 3.28Å; C182-D185 PolarHBondContact N-OD2 3.11Å; C182-D185 WeakPolarHBondContact O-CB 3.49Å; C182-D185 PolarHBondContact O-N 3.25Å; W183-D185 PolarHBondContact O-N 3.45Å; D185-M192 HydrophobicContact CB-CG 4.12Å; D185-M192 HydrophobicContact CB-SD 3.77Å; D185-M192 WeakPolarHBondContact O-CG 3.34Å; D185-F208 WeakPolarHBondContact O-CE2 3.48Å
186V90.3Very high89Confident12 Ų1261.9 Ų61.97%0.07334%0.335CS..Hα-helixtrans-104.2-23.6-175.3-59.60000114.1L162 P180 W183 D184 F208 F210 F463L162-V186 HydrophobicContact CD1-CG1 4.23Å; L162-V186 HydrophobicContact CD2-CG1 4.05Å; P180-V186 HydrophobicContact CB-CG1 3.64Å; P180-V186 HydrophobicContact CG-CG1 4.11Å; W183-V186 HydrophobicContact CE3-CG2 3.83Å; W183-V186 HydrophobicContact CZ3-CG2 4.4Å; W183-V186 VanDerWaalsContact O-CG2 3.23Å; W183-V186 WeakPolarHBondContact O-CG2 3.39Å; W183-V186 PolarHBondContact O-N 3.29Å; W183-V186 VanDerWaalsContact O-N 3.1Å; D184-V186 PolarHBondContact O-N 3.2Å; V186-F208 HydrophobicContact CB-CB 4.03Å; V186-F208 HydrophobicContact CB-CD2 4.15Å; V186-F208 HydrophobicContact CB-CG 4.01Å; V186-F208 HydrophobicContact CG1-CB 4.38Å; V186-F208 HydrophobicContact CG1-CD1 4.01Å; V186-F208 HydrophobicContact CG1-CD2 4.05Å; V186-F208 HydrophobicContact CG1-CE1 4.27Å; V186-F208 HydrophobicContact CG1-CE2 4.31Å; V186-F208 HydrophobicContact CG1-CG 3.88Å; V186-F208 HydrophobicContact CG1-CZ 4.42Å; V186-F210 HydrophobicContact CG2-CE2 4.36Å; V186-F210 HydrophobicContact CG2-CZ 4.07Å; V186-F463 HydrophobicContact CG1-CE1 3.92Å; V186-F463 HydrophobicContact CG2-CE1 4.05Å; V186-F463 HydrophobicContact CG2-CZ 4.06Å
187L90.1Very high89Confident75 Ų7565.9 Ų65.939%0.39335%0.353SS..Hα-helixtrans-93.7-31.9-178.9-63.8179.5000112.8W183 P189 H227W183-L187 HydrophobicContact CB-CD1 4.1Å; W183-L187 HydrophobicContact CE3-CD1 4.05Å; W183-L187 HydrophobicContact CE3-CD2 4.33Å; W183-L187 HydrophobicContact CE3-CG 4.11Å; W183-L187 WeakPolarHBondContact O-CB 3.45Å; W183-L187 WeakPolarHBondContact O-CG 3.47Å; W183-L187 PolarHBondContact O-N 3.34Å; L187-P189 WeakPolarHBondContact O-CD 3.32Å; L187-H227 HydrophobicContact CD1-CB 4.04Å
188I89.2Confident89.1Confident84 Ų8461.8 Ų61.843%0.43133%0.329SS..SBendtrans-81.9119.7-179.1-58.7177.1000109.3D184 R191D184-I188 HydrophobicContact CB-CD1 3.87Å; D184-I188 HydrophobicContact CB-CG1 4.45Å; D184-I188 VanDerWaalsContact O-CB 3.29Å; D184-I188 WeakPolarHBondContact O-CB 3.3Å; D184-I188 WeakPolarHBondContact O-CG1 3.42Å; D184-I188 PolarHBondContact O-N 3.49Å; D184-I188 VanDerWaalsContact O-N 3.15Å; I188-R191 HydrophobicContact CB-CB 4.08Å; I188-R191 HydrophobicContact CG2-CB 4.23Å; I188-R191 VanDerWaalsContact O-CB 3.27Å; I188-R191 WeakPolarHBondContact O-CB 3.28Å; I188-R191 PolarHBondContact O-N 2.81Å
189P87.6Confident89.3Confident106 Ų10660.6 Ų60.669%0.68833%0.333SS*.THydrogen-bonded Turntrans-60.3142.5179.2-22.833.9000112.3L187 R191L187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-R191 PolarHBondContact O-N 3.07Å; P189-R191 VanDerWaalsContact O-N 3.15Å
190N87.9Confident89.4Confident107 Ų10769 Ų6957%0.57237%0.367SS*.THydrogen-bonded Turntrans58.819.3178.6-55.8-55.4000115.3T205N190-T205 HydrophobicContact CB-CG2 4.37Å; N190-T205 WeakPolarHBondContact OD1-CB 3.47Å; N190-T205 PolarHBondContact OD1-OG1 2.85Å; N190-T205 VanDerWaalsContact OD1-OG1 3.05Å
191R91Very high89.4Confident161 Ų16170.2 Ų70.261%0.60838%0.375SS*.  trans-71.7-39.7179.1-179.658.6177.8150.6-1.1112.9I188 P189I188-R191 HydrophobicContact CB-CB 4.08Å; I188-R191 HydrophobicContact CG2-CB 4.23Å; I188-R191 VanDerWaalsContact O-CB 3.27Å; I188-R191 WeakPolarHBondContact O-CB 3.28Å; I188-R191 PolarHBondContact O-N 2.81Å; P189-R191 PolarHBondContact O-N 3.07Å; P189-R191 VanDerWaalsContact O-N 3.15Å
192M89.9Confident89.6Confident12 Ų1273.5 Ų73.56%0.05940%0.395CS..SBendtrans-105.3142-177.7-60.1-161.580.500112L176 Q178 P180 D185 A206 F208L176-M192 HydrophobicContact CD2-CB 4.48Å; Q178-M192 HydrophobicContact CG-CE 3.92Å; Q178-M192 WeakPolarHBondContact O-CE 3.43Å; P180-M192 HydrophobicContact CB-SD 3.82Å; D185-M192 HydrophobicContact CB-CG 4.12Å; D185-M192 HydrophobicContact CB-SD 3.77Å; D185-M192 WeakPolarHBondContact O-CG 3.34Å; M192-A206 HydrophobicContact CB-CB 4.02Å; M192-A206 PolarHBondContact O-N 3.46Å; M192-F208 HydrophobicContact CB-CE2 4.01Å; M192-F208 HydrophobicContact CB-CZ 4.47Å; M192-F208 HydrophobicContact CG-CE2 3.9Å; M192-F208 HydrophobicContact CG-CZ 4.38Å; M192-F208 HydrophobicContact SD-CE2 3.51Å; M192-F208 VanDerWaalsContact SD-CE2 3.51Å; M192-F208 HydrophobicContact SD-CZ 3.45Å; M192-F208 WeakPolarHBondContact SD-CZ 3.38Å
193S91.4Very high89.7Confident70 Ų7071.4 Ų71.449%0.4938%0.382SS..BIsolated β-bridgetrans-110.7153.2178.460.90000112.6T177 T204T177-S193 PolarHBondContact N-O 3.19Å; T177-S193 VanDerWaalsContact N-O 3.17Å; T177-S193 PolarHBondContact OG1-O 3.26Å; S193-T204 CarbonylContact C-O 3.4Å; S193-T204 VanDerWaalsContact CA-O 3.23Å; S193-T204 WeakPolarHBondContact CA-O 3.33Å
194G90.7Very high89.9Confident8 Ų874 Ų748%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-160.4-173174.700000111T175 T204T175-G194 CarbonylContact O-C 3.46Å; T175-G194 WeakPolarHBondContact O-CA 3.43Å; G194-T204 PolarHBondContact N-O 3.27Å; G194-T204 CarbonylContact O-C 3.4Å; G194-T204 WeakPolarHBondContact O-CA 3.2Å; G194-T204 VanDerWaalsContact O-O 3.04Å
195E91.3Very high90.1Very high137 Ų13771 Ų7164%0.6439%0.386SS*.EExtended strand (participates in β ladder)trans-119.8123.3176.2-173.8176.2-165.600110T175 Q197T175-E195 PolarHBondContact N-O 2.91Å; T175-E195 PolarHBondContact O-N 2.8Å; E195-Q197 PolarHBondContact O-NE2 3.44Å
196C90.8Very high90.1Very high11 Ų1170.6 Ų70.67%0.07439%0.385CS..EExtended strand (participates in β ladder)trans-76.6125.4178.8-172.20000110.6C166 C169 T173 L174 S198 C201 G203C166-C196 HydrophobicContact CB-CB 4.4Å; C169-C196 VanDerWaalsContact SG-SG 3.64Å; T173-C196 PolarHBondContact OG1-SG 2.93Å; L174-C196 HydrophobicContact CD1-CB 4.01Å; C196-S198 VanDerWaalsContact C-N 3.27Å; C196-S198 PolarHBondContact O-N 2.88Å; C196-S198 VanDerWaalsContact SG-CB 3.58Å; C196-C201 HydrophobicContact CB-CB 4.28Å; C196-C201 VanDerWaalsContact SG-SG 3.66Å; C196-G203 WeakPolarHBondContact CB-O 3.27Å; C196-G203 PolarHBondContact N-O 3.49Å
197Q90.1Very high90.2Very high114 Ų11473.4 Ų73.453%0.53340%0.397SS..  trans-86.94179.3-54.5-57.8-5000112.9T173 E195T173-Q197 WeakPolarHBondContact O-CB 3.41Å; T173-Q197 WeakPolarHBondContact O-CG 3.19Å; T173-Q197 PolarHBondContact O-N 2.92Å; E195-Q197 PolarHBondContact O-NE2 3.44Å
198S88.1Confident90.3Very high23 Ų2371.1 Ų71.116%0.16138%0.384CS..SBendtrans-72137.8175.5-179.90000110.6Q171 C196 H200 C201Q171-S198 PolarHBondContact OE1-OG 3.22Å; C196-S198 VanDerWaalsContact C-N 3.27Å; C196-S198 PolarHBondContact O-N 2.88Å; C196-S198 VanDerWaalsContact SG-CB 3.58Å; S198-H200 PolarHBondContact O-N 3.3Å; S198-C201 PolarHBondContact O-N 2.96Å
199P89.6Confident90.4Very high106 Ų10668.4 Ų68.469%0.68837%0.369SS*.THydrogen-bonded Turntrans-53.3131175.3-24.232.9000111.4C201P199-C201 PolarHBondContact O-N 2.78Å; P199-C201 VanDerWaalsContact O-N 3.15Å
200H88.5Confident90.6Very high193 Ų19363.9 Ų63.989%0.89434%0.339SS*.THydrogen-bonded Turntrans58.222.5176.2-50.8-71000115.9S198S198-H200 PolarHBondContact O-N 3.3Å
201C87.9Confident90.7Very high25 Ų2559.1 Ų59.117%0.16931%0.313CS..  trans-96.1118.8175.9-172.50000111.1C196 S198 P199 G203C196-C201 HydrophobicContact CB-CB 4.28Å; C196-C201 VanDerWaalsContact SG-SG 3.66Å; S198-C201 PolarHBondContact O-N 2.96Å; P199-C201 PolarHBondContact O-N 2.78Å; P199-C201 VanDerWaalsContact O-N 3.15Å; C201-G203 PolarHBondContact O-N 3.31Å
202P92.2Very high90.7Very high112 Ų11251.5 Ų51.573%0.72728%0.284SS*.  trans-81.113.2175.535.3-36.8000113.1T204P202-T204 PolarHBondContact O-N 2.89Å
203G90.3Very high90.6Very high2 Ų251.9 Ų51.92%0.02129%0.291CS..  trans-70.8120.8-171.900000112.3T168 C196 C201T168-G203 WeakPolarHBondContact OG1-CA 3.46Å; C196-G203 WeakPolarHBondContact CB-O 3.27Å; C196-G203 PolarHBondContact N-O 3.49Å; C201-G203 PolarHBondContact O-N 3.31Å
204T92.6Very high90.4Very high85 Ų8551.2 Ų51.252%0.52129%0.29SS..  trans-117-2.2-179.756.80000114S193 G194 P202S193-T204 CarbonylContact C-O 3.4Å; S193-T204 VanDerWaalsContact CA-O 3.23Å; S193-T204 WeakPolarHBondContact CA-O 3.33Å; G194-T204 PolarHBondContact N-O 3.27Å; G194-T204 CarbonylContact O-C 3.4Å; G194-T204 WeakPolarHBondContact O-CA 3.2Å; G194-T204 VanDerWaalsContact O-O 3.04Å; P202-T204 PolarHBondContact O-N 2.89Å
205T91.9Very high90.1Very high33 Ų3352.4 Ų52.420%0.20229%0.294CS..BIsolated β-bridgetrans-110.9142.1-176.464.90000112.4S167 N190S167-T205 WeakPolarHBondContact CB-OG1 3.32Å; S167-T205 PolarHBondContact N-O 2.97Å; S167-T205 VanDerWaalsContact N-O 3.13Å; S167-T205 PolarHBondContact OG-O 3.23Å; S167-T205 PolarHBondContact OG-OG1 3.15Å; N190-T205 HydrophobicContact CB-CG2 4.37Å; N190-T205 WeakPolarHBondContact OD1-CB 3.47Å; N190-T205 PolarHBondContact OD1-OG1 2.85Å; N190-T205 VanDerWaalsContact OD1-OG1 3.05Å
206A91.5Very high89.9Confident7 Ų752 Ų526%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-87.6135.2178.700000112V164 L174 L176 M192 F208V164-A206 HydrophobicContact CG2-CB 3.96Å; L174-A206 HydrophobicContact CD2-CB 3.52Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; M192-A206 HydrophobicContact CB-CB 4.02Å; M192-A206 PolarHBondContact O-N 3.46Å; A206-F208 HydrophobicContact CB-CE2 3.92Å; A206-F208 HydrophobicContact CB-CZ 4.27Å
207E92.1Very high89.6Confident71 Ų7153.1 Ų53.133%0.33231%0.309SS..EExtended strand (participates in β ladder)trans-115.2115.7168.5-175.2178-144.100108.2V164 Q165V164-E207 WeakPolarHBondContact CA-O 3.09Å; Q165-E207 HydrophobicContact CG-CB 4.05Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 3.11Å; Q165-E207 PolarHBondContact NE2-OE2 3.3Å; Q165-E207 PolarHBondContact O-N 3.33Å
208F91.8Very high89.4Confident27 Ų2751 Ų5112%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-92.9143.4176.5-66.6-82.4000110.5L162 R163 V164 L176 P180 D185 V186 M192 A206 W462L162-F208 HydrophobicContact CD1-CB 4.1Å; L162-F208 HydrophobicContact CD1-CD1 3.87Å; L162-F208 HydrophobicContact CD1-CG 4.37Å; L162-F208 HydrophobicContact CG-CD1 4.43Å; R163-F208 WeakPolarHBondContact O-CA 3.29Å; V164-F208 HydrophobicContact CB-CD1 3.82Å; V164-F208 HydrophobicContact CB-CE1 3.73Å; V164-F208 HydrophobicContact CG2-CD1 4.01Å; V164-F208 HydrophobicContact CG2-CE1 3.75Å; V164-F208 HydrophobicContact CG2-CZ 4.12Å; L176-F208 HydrophobicContact CD1-CE1 4.12Å; L176-F208 HydrophobicContact CD1-CZ 3.93Å; L176-F208 HydrophobicContact CD2-CZ 4.26Å; P180-F208 HydrophobicContact CB-CZ 4.41Å; P180-F208 HydrophobicContact CG-CE1 4.13Å; P180-F208 HydrophobicContact CG-CZ 4.28Å; D185-F208 WeakPolarHBondContact O-CE2 3.48Å; V186-F208 HydrophobicContact CB-CB 4.03Å; V186-F208 HydrophobicContact CB-CD2 4.15Å; V186-F208 HydrophobicContact CB-CG 4.01Å; V186-F208 HydrophobicContact CG1-CB 4.38Å; V186-F208 HydrophobicContact CG1-CD1 4.01Å; V186-F208 HydrophobicContact CG1-CD2 4.05Å; V186-F208 HydrophobicContact CG1-CE1 4.27Å; V186-F208 HydrophobicContact CG1-CE2 4.31Å; V186-F208 HydrophobicContact CG1-CG 3.88Å; V186-F208 HydrophobicContact CG1-CZ 4.42Å; M192-F208 HydrophobicContact CB-CE2 4.01Å; M192-F208 HydrophobicContact CB-CZ 4.47Å; M192-F208 HydrophobicContact CG-CE2 3.9Å; M192-F208 HydrophobicContact CG-CZ 4.38Å; M192-F208 HydrophobicContact SD-CE2 3.51Å; M192-F208 VanDerWaalsContact SD-CE2 3.51Å; M192-F208 HydrophobicContact SD-CZ 3.45Å; M192-F208 WeakPolarHBondContact SD-CZ 3.38Å; A206-F208 HydrophobicContact CB-CE2 3.92Å; A206-F208 HydrophobicContact CB-CZ 4.27Å; F208-W462 HydrophobicContact CE1-CZ3 4.42Å
209F91.3Very high88.8Confident26 Ų2655.7 Ų55.711%0.11433%0.33CS..EExtended strand (participates in β ladder)trans-145.4157.2172.762-90.4000110.1R163 Q165 K211 T222R163-F209 HydrophobicContact CB-CD1 4.43Å; R163-F209 HydrophobicContact CB-CD2 3.89Å; R163-F209 HydrophobicContact CB-CE1 3.92Å; R163-F209 HydrophobicContact CB-CE2 3.28Å; R163-F209 HydrophobicContact CB-CG 4.43Å; R163-F209 HydrophobicContact CB-CZ 3.34Å; R163-F209 HydrophobicContact CG-CE2 3.79Å; R163-F209 HydrophobicContact CG-CZ 4.14Å; R163-F209 PolarHBondContact N-O 3.48Å; R163-F209 PolarHBondContact O-N 2.75Å; Q165-F209 HydrophobicContact CB-CE1 3.94Å; Q165-F209 HydrophobicContact CG-CD1 3.97Å; Q165-F209 HydrophobicContact CG-CE1 3.72Å; F209-K211 HydrophobicContact CD2-CG 4.12Å; F209-K211 HydrophobicContact CE2-CD 4.18Å; F209-K211 VanDerWaalsContact CE2-CE 3.4Å; F209-K211 HydrophobicContact CE2-CG 4.1Å; F209-T222 HydrophobicContact CB-CG2 4.06Å; F209-T222 HydrophobicContact CD2-CG2 3.93Å; F209-T222 HydrophobicContact CG-CG2 4.19Å
210F92.2Very high88.4Confident11 Ų1160.1 Ų60.15%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-113.8150.2-179-66.5-101000110.9F146 V148 K161 L162 W183 V186 T222 S223 A225F146-F210 HydrophobicContact CB-CD1 4.24Å; F146-F210 HydrophobicContact CB-CE1 3.91Å; F146-F210 HydrophobicContact CD1-CE1 4.09Å; F146-F210 HydrophobicContact CD2-CE1 4.21Å; F146-F210 HydrophobicContact CG-CD1 4.49Å; F146-F210 AromaticContact CG-CE1 3.78Å; F146-F210 HydrophobicContact CG-CE1 3.78Å; V148-F210 HydrophobicContact CG1-CB 3.61Å; V148-F210 HydrophobicContact CG1-CD1 4.36Å; V148-F210 HydrophobicContact CG1-CG 4.3Å; K161-F210 WeakPolarHBondContact O-CA 3.33Å; L162-F210 HydrophobicContact CB-CD1 4.27Å; L162-F210 HydrophobicContact CB-CE1 3.99Å; L162-F210 HydrophobicContact CD1-CD1 4.29Å; L162-F210 HydrophobicContact CD1-CD2 4.36Å; L162-F210 HydrophobicContact CD1-CE1 3.8Å; L162-F210 HydrophobicContact CD1-CE2 3.89Å; L162-F210 HydrophobicContact CD1-CZ 3.6Å; L162-F210 HydrophobicContact CG-CE1 4.39Å; W183-F210 HydrophobicContact CE3-CZ 4.36Å; W183-F210 HydrophobicContact CH2-CE1 4.32Å; W183-F210 HydrophobicContact CH2-CZ 4.24Å; W183-F210 HydrophobicContact CZ3-CE1 4.05Å; W183-F210 HydrophobicContact CZ3-CE2 4.26Å; W183-F210 AromaticContact CZ3-CZ 3.52Å; W183-F210 HydrophobicContact CZ3-CZ 3.52Å; V186-F210 HydrophobicContact CG2-CE2 4.36Å; V186-F210 HydrophobicContact CG2-CZ 4.07Å; F210-T222 CarbonylContact O-C 3.54Å; F210-T222 WeakPolarHBondContact O-CA 3.47Å; F210-S223 PolarHBondContact O-N 2.81Å; F210-A225 HydrophobicContact CB-CB 4.46Å; F210-A225 HydrophobicContact CD1-CB 4.21Å; F210-A225 HydrophobicContact CD2-CB 3.57Å; F210-A225 HydrophobicContact CE1-CB 4.3Å; F210-A225 HydrophobicContact CE2-CB 3.68Å; F210-A225 HydrophobicContact CG-CB 3.83Å; F210-A225 HydrophobicContact CZ-CB 4.04Å
211K89Confident88.3Confident8 Ų853.6 Ų53.64%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-131161.5175.5-60.5-169.7174.3140.40111.1G160 K161 F209 G213 T217 S218 D219 E221G160-K211 CarbonylContact C-O 3.56Å; G160-K211 WeakPolarHBondContact CA-O 3.27Å; K161-K211 PolarHBondContact N-O 3.46Å; K161-K211 PolarHBondContact O-N 3.04Å; F209-K211 HydrophobicContact CD2-CG 4.12Å; F209-K211 HydrophobicContact CE2-CD 4.18Å; F209-K211 VanDerWaalsContact CE2-CE 3.4Å; F209-K211 HydrophobicContact CE2-CG 4.1Å; K211-G213 PolarHBondContact O-N 3.05Å; K211-T217 WeakPolarHBondContact CD-OG1 3.14Å; K211-S218 WeakPolarHBondContact CE-O 3.21Å; K211-D219 IonicContact NZ-OD1 2.64Å; K211-D219 PolarHBondContact NZ-OD1 3.38Å; K211-E221 WeakPolarHBondContact CG-O 3.2Å
212C91.6Very high88.4Confident0 Ų055.9 Ų55.90%032%0.322CS..EExtended strand (participates in β ladder)trans-67.1130.8171.8-171.70000110.8C150 H215 T217C150-C212 HydrophobicContact CB-CB 4.01Å; C212-H215 WeakPolarHBondContact CB-NE2 3.46Å; C212-H215 PolarHBondContact SG-CD2 3.02Å; C212-H215 PolarHBondContact SG-NE2 3.36Å; C212-T217 HydrophobicContact CB-CG2 4.06Å
213G87.4Confident88.3Confident20 Ų2051.2 Ų51.221%0.20629%0.292CS..SBendtrans-82.9-21176.700000114.3P159 K161 K211 H215P159-G213 WeakPolarHBondContact O-CA 3.22Å; P159-G213 PolarHBondContact O-N 2.77Å; K161-G213 PolarHBondContact NZ-O 3.37Å; K211-G213 PolarHBondContact O-N 3.05Å; G213-H215 PolarHBondContact O-N 2.91Å
214A87.6Confident88.4Confident57 Ų5754.4 Ų54.447%0.47131%0.311SS..SBendtrans-78.2-17.5-168.800000114.9Q158Q158-A214 HydrophobicContact CB-CB 4.47Å; Q158-A214 HydrophobicContact CG-CB 4.2Å
215H85.3Confident88.4Confident33 Ų3350.8 Ų50.815%0.15329%0.289CS..SBendtrans-143.7162.8176.456.590.9000110.3C150 C154 C212 G213 T217 E221C150-H215 PolarHBondContact SG-NE2 3.29Å; C154-H215 VanDerWaalsContact SG-CD2 3.55Å; C212-H215 WeakPolarHBondContact CB-NE2 3.46Å; C212-H215 PolarHBondContact SG-CD2 3.02Å; C212-H215 PolarHBondContact SG-NE2 3.36Å; G213-H215 PolarHBondContact O-N 2.91Å; H215-T217 VanDerWaalsContact CE1-CG2 3.45Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.2Å; H215-T217 PolarHBondContact O-N 2.98Å; H215-E221 IonicContact CE1-OE1 3.61Å
216P85.4Confident88.4Confident128 Ų12849.2 Ų49.283%0.83128%0.28SS*.  trans-59.3136.4168-21.133.8000110.4
217T85.3Confident88.4Confident35 Ų3550.1 Ų50.122%0.21528%0.283CS..  trans-133.1139.7-177.850.80000109.6K211 C212 H215K211-T217 WeakPolarHBondContact CD-OG1 3.14Å; C212-T217 HydrophobicContact CB-CG2 4.06Å; H215-T217 VanDerWaalsContact CE1-CG2 3.45Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.2Å; H215-T217 PolarHBondContact O-N 2.98Å
218S85.9Confident88.4Confident68 Ų6847.1 Ų47.148%0.47627%0.269SS..  trans-70.1166.2173.575.30000112K211 K220 E221K211-S218 WeakPolarHBondContact CE-O 3.21Å; S218-K220 PolarHBondContact O-N 3.48Å; S218-E221 PolarHBondContact O-N 3.3Å; S218-E221 WeakPolarHBondContact OG-CB 3.44Å; S218-E221 PolarHBondContact OG-N 3.33Å
219D76.3Confident88.5Confident123 Ų12345.8 Ų45.866%0.65826%0.263SS*.THydrogen-bonded Turntrans-65.4-25.3178.2-72.8-35.3000115K211K211-D219 IonicContact NZ-OD1 2.64Å; K211-D219 PolarHBondContact NZ-OD1 3.38Å
220K81.5Confident88.4Confident198 Ų19844.9 Ų44.986%0.86126%0.26SS*.THydrogen-bonded Turntrans-83.5-14.6177.5-62-177.3179.5-178.90113.1S218 T222S218-K220 PolarHBondContact O-N 3.48Å; K220-T222 PolarHBondContact O-N 3.48Å
221E84.9Confident88.3Confident56 Ų5645.6 Ų45.626%0.26227%0.266SS..  trans-89.688.3-174.6-168177.9-174.300110.4K211 H215 S218K211-E221 WeakPolarHBondContact CG-O 3.2Å; H215-E221 IonicContact CE1-OE1 3.61Å; S218-E221 PolarHBondContact O-N 3.3Å; S218-E221 WeakPolarHBondContact OG-CB 3.44Å; S218-E221 PolarHBondContact OG-N 3.33Å
222T89.8Confident88.3Confident73 Ų7345.6 Ų45.645%0.44827%0.266SS..  trans-93.7151.5177.660.40000111.4F209 F210 K220F209-T222 HydrophobicContact CB-CG2 4.06Å; F209-T222 HydrophobicContact CD2-CG2 3.93Å; F209-T222 HydrophobicContact CG-CG2 4.19Å; F210-T222 CarbonylContact O-C 3.54Å; F210-T222 WeakPolarHBondContact O-CA 3.47Å; K220-T222 PolarHBondContact O-N 3.48Å
223S91.5Very high87.8Confident15 Ų1548.7 Ų48.711%0.10529%0.287CS..BIsolated β-bridgetrans-124.3147173.7-620000109F210F210-S223 PolarHBondContact O-N 2.81Å
224V91.8Very high87.6Confident69 Ų6952.1 Ų52.142%0.41829%0.294SS..EExtended strand (participates in β ladder)trans-76.3130.9-178.5-175.40000109.2V148 Y149 H302V148-V224 VanDerWaalsContact CA-O 3.24Å; V148-V224 WeakPolarHBondContact CA-O 3.39Å; V148-V224 WeakPolarHBondContact CB-O 3.37Å; Y149-V224 PolarHBondContact N-O 3.15Å; Y149-V224 VanDerWaalsContact N-O 3.15Å; V224-H302 HydrophobicContact CG1-CB 4.13Å; V224-H302 VanDerWaalsContact CG1-CD2 3.5Å; V224-H302 WeakPolarHBondContact CG1-CD2 3.2Å
225A92.2Very high87.5Confident8 Ų854.2 Ų54.27%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-72.9139.1175.900000111.4W183 F210 H302W183-A225 HydrophobicContact CH2-CB 4.43Å; W183-A225 HydrophobicContact CZ3-CB 4.02Å; F210-A225 HydrophobicContact CB-CB 4.46Å; F210-A225 HydrophobicContact CD1-CB 4.21Å; F210-A225 HydrophobicContact CD2-CB 3.57Å; F210-A225 HydrophobicContact CE1-CB 4.3Å; F210-A225 HydrophobicContact CE2-CB 3.68Å; F210-A225 HydrophobicContact CG-CB 3.83Å; F210-A225 HydrophobicContact CZ-CB 4.04Å; A225-H302 PolarHBondContact O-NE2 3.39Å; A225-H302 VanDerWaalsContact O-NE2 3.11Å
226L93.1Very high87.6Confident1 Ų153.9 Ų53.91%0.00530%0.297CS..  trans-108.779.4178.9-57.8175.8000108.2Y147 V157 L228 I229 I306Y147-L226 PolarHBondContact O-N 3.46Å; V157-L226 HydrophobicContact CG1-CD1 4.17Å; V157-L226 HydrophobicContact CG2-CD1 3.88Å; L226-L228 PolarHBondContact O-N 2.74Å; L226-I229 HydrophobicContact CB-CB 4.2Å; L226-I229 HydrophobicContact CB-CD1 3.71Å; L226-I229 HydrophobicContact CB-CG1 3.88Å; L226-I229 HydrophobicContact CD1-CD1 3.52Å; L226-I229 HydrophobicContact CG-CD1 4.22Å; L226-I229 WeakPolarHBondContact O-CB 3.48Å; L226-I229 PolarHBondContact O-N 2.87Å; L226-I306 HydrophobicContact CD1-CG2 3.55Å; L226-I306 HydrophobicContact CD2-CG2 4.4Å
227H91.2Very high87.9Confident25 Ų2549.1 Ų49.112%0.11627%0.265CS..THydrogen-bonded Turntrans-66.8-21.8-170.971.985000114.1W183 L187 I229 Q252 E300 H303W183-H227 HydrophobicContact CD2-CB 3.6Å; W183-H227 HydrophobicContact CE3-CB 3.76Å; W183-H227 HydrophobicContact CG-CB 4.09Å; W183-H227 HydrophobicContact CH2-CB 4.17Å; W183-H227 HydrophobicContact CZ2-CB 4.02Å; W183-H227 HydrophobicContact CZ3-CB 4.03Å; L187-H227 HydrophobicContact CD1-CB 4.04Å; H227-I229 PolarHBondContact O-N 3.24Å; H227-Q252 PolarHBondContact CE1-NE2 3.15Å; H227-E300 IonicContact CD2-OE2 3.35Å; H227-E300 IonicContact CE1-OE2 3.42Å; H227-E300 PolarHBondContact CE1-OE2 2.83Å; H227-E300 VanDerWaalsContact CE1-OE2 3.23Å; H227-E300 VanDerWaalsContact NE2-CG 3.34Å; H227-E300 WeakPolarHBondContact NE2-CG 3.31Å; H227-E300 IonicContact NE2-OE1 3.6Å; H227-E300 IonicContact NE2-OE2 2.71Å; H227-E300 PolarHBondContact NE2-OE2 3.15Å; H227-H303 AromaticContact CD2-CE1 3.66Å; H227-H303 PolarHBondContact N-NE2 3.49Å; H227-H303 AromaticContact NE2-CE1 3.66Å
228L92.5Very high88.3Confident8 Ų847.5 Ų47.54%0.04226%0.255CS..THydrogen-bonded Turntrans-75.2-14.8173.1-57.8178.9000112.4L226 L249 V250 Q252 I298 H303L226-L228 PolarHBondContact O-N 2.74Å; L228-L249 HydrophobicContact CB-CG 4.09Å; L228-L249 CarbonylContact O-C 3.52Å; L228-L249 WeakPolarHBondContact O-CA 3.26Å; L228-V250 PolarHBondContact O-N 3.01Å; L228-Q252 HydrophobicContact CD2-CG 3.61Å; L228-I298 HydrophobicContact CD1-CG1 4.22Å; L228-I298 HydrophobicContact CD1-CG2 3.85Å; L228-H303 WeakPolarHBondContact CB-NE2 3.47Å; L228-H303 PolarHBondContact N-NE2 3Å
229I93.1Very high88.6Confident0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-93.1122.5179.8-55.6-175.2000109.2Y147 V157 L226 H227 P247 V248 L261 I306Y147-I229 HydrophobicContact CD1-CG2 4.45Å; Y147-I229 HydrophobicContact CD2-CB 4.35Å; Y147-I229 HydrophobicContact CD2-CG2 3.66Å; Y147-I229 HydrophobicContact CE2-CG2 4.34Å; Y147-I229 HydrophobicContact CG-CB 4.4Å; Y147-I229 HydrophobicContact CG-CG2 3.72Å; V157-I229 HydrophobicContact CG1-CD1 4.13Å; V157-I229 HydrophobicContact CG2-CD1 4.17Å; L226-I229 HydrophobicContact CB-CB 4.2Å; L226-I229 HydrophobicContact CB-CD1 3.71Å; L226-I229 HydrophobicContact CB-CG1 3.88Å; L226-I229 HydrophobicContact CD1-CD1 3.52Å; L226-I229 HydrophobicContact CG-CD1 4.22Å; L226-I229 WeakPolarHBondContact O-CB 3.48Å; L226-I229 PolarHBondContact O-N 2.87Å; H227-I229 PolarHBondContact O-N 3.24Å; I229-P247 HydrophobicContact CG2-CB 3.64Å; I229-P247 HydrophobicContact CG2-CG 4.07Å; I229-V248 CarbonylContact C-O 3.6Å; I229-V248 WeakPolarHBondContact CA-O 3.36Å; I229-L261 HydrophobicContact CD1-CD2 4.01Å; I229-L261 HydrophobicContact CG1-CD2 4.37Å; I229-I306 HydrophobicContact CD1-CD1 4.25Å; I229-I306 HydrophobicContact CD1-CG2 4.34Å
230A89.6Confident89.2Confident6 Ų640.6 Ų40.65%0.0522%0.215CC..EExtended strand (participates in β ladder)trans-125.8153.2-179.900000111.6N232 P247 V248 V250 W403A230-N232 PolarHBondContact O-N 3.43Å; A230-P247 WeakPolarHBondContact O-CA 3.41Å; A230-P247 WeakPolarHBondContact O-CB 3.44Å; A230-V248 PolarHBondContact N-O 3.37Å; A230-V248 PolarHBondContact O-N 3.45Å; A230-V250 HydrophobicContact CB-CG2 4.43Å; A230-W403 HydrophobicContact CB-CH2 4Å; A230-W403 HydrophobicContact CB-CZ2 4.03Å
231T89.3Confident89.5Confident27 Ų2733 Ų3317%0.16619%0.186CC..  trans-70.8127.4169.1-67.40000108.6N144 Y147 S233N144-T231 PolarHBondContact O-OG1 2.78Å; Y147-T231 VanDerWaalsContact CE2-OG1 3.3Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.07Å; Y147-T231 PolarHBondContact OH-OG1 3.38Å; T231-S233 PolarHBondContact O-N 3.46Å
232N89Confident89.7Confident8 Ų834.1 Ų34.14%0.04320%0.197CC..  trans-79.565-178.7-166.97.6000111.9A230 R234 N235 I236 R245 S246 V248A230-N232 PolarHBondContact O-N 3.43Å; N232-R234 PolarHBondContact O-N 2.92Å; N232-N235 PolarHBondContact O-N 3.2Å; N232-N235 PolarHBondContact OD1-N 2.89Å; N232-I236 PolarHBondContact ND2-N 3.13Å; N232-I236 PolarHBondContact ND2-O 3.4Å; N232-I236 PolarHBondContact OD1-N 2.88Å; N232-R245 WeakPolarHBondContact CB-O 3.45Å; N232-R245 PolarHBondContact ND2-O 3.29Å; N232-S246 PolarHBondContact N-OG 2.77Å; N232-V248 HydrophobicContact CB-CG1 4.05Å; N232-V248 HydrophobicContact CB-CG2 3.99Å
233S82.2Confident89.7Confident64 Ų6434.4 Ų34.445%0.44820%0.196SC..THydrogen-bonded Turntrans-69-16.6176.356.30000113.1T231T231-S233 PolarHBondContact O-N 3.46Å
234R81.6Confident89.6Confident93 Ų9337.2 Ų37.235%0.35121%0.212SC..THydrogen-bonded Turntrans-92.2-1.9-177.7-59.9177.1-162.4-1684.6113.1N232 I236 W403N232-R234 PolarHBondContact O-N 2.92Å; R234-I236 HydrophobicContact CB-CD1 3.95Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 2.9Å; R234-W403 VanDerWaalsContact CZ-CE2 3.44Å; R234-W403 PolarHBondContact NH1-O 2.9Å
235N85.6Confident89.5Confident100 Ų10036.2 Ų36.254%0.53520%0.201SC..  trans52.138.2-176.9-61.6-40.8000113.7N232 V244N232-N235 PolarHBondContact O-N 3.2Å; N232-N235 PolarHBondContact OD1-N 2.89Å; N235-V244 HydrophobicContact CB-CG1 4.06Å
236I88.1Confident89.3Confident27 Ų2737.7 Ų37.714%0.13821%0.21CC..PPolyproline II helixtrans-73.3137.8178.7-53.5-59.9000109.6N232 R234 V258 W403N232-I236 PolarHBondContact ND2-N 3.13Å; N232-I236 PolarHBondContact ND2-O 3.4Å; N232-I236 PolarHBondContact OD1-N 2.88Å; R234-I236 HydrophobicContact CB-CD1 3.95Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 2.9Å; I236-V258 HydrophobicContact CB-CG2 4.33Å; I236-V258 HydrophobicContact CG2-CB 3.96Å; I236-V258 HydrophobicContact CG2-CG1 4.34Å; I236-V258 HydrophobicContact CG2-CG2 3.76Å; I236-W403 HydrophobicContact CG1-CE3 4.21Å; I236-W403 HydrophobicContact CG1-CZ3 4.48Å
237T91.3Very high89.3Confident27 Ų2738.7 Ų38.717%0.16622%0.217CC..BIsolated β-bridgetrans-75.3149.6177.852.50000111.2T242 V244 A401T237-T242 VanDerWaalsContact CB-O 3.28Å; T237-T242 WeakPolarHBondContact CB-O 3.42Å; T237-T242 WeakPolarHBondContact CG2-O 3.48Å; T237-V244 HydrophobicContact CG2-CG2 3.8Å; T237-A401 VanDerWaalsContact O-CB 3.32Å; T237-A401 WeakPolarHBondContact O-CB 3.45Å
238C93.1Very high89.4Confident1 Ų137.5 Ų37.51%0.00721%0.212CC..PPolyproline II helixtrans-69.8134.7173.3177.70000110.9T240 C241 T242 D243 C260C238-T240 PolarHBondContact O-N 3.43Å; C238-T240 VanDerWaalsContact O-N 3.15Å; C238-C241 VanDerWaalsContact CB-SG 3.52Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C238-T242 WeakPolarHBondContact O-CA 3.18Å; C238-T242 PolarHBondContact O-N 2.57Å; C238-D243 WeakPolarHBondContact CB-O 3.42Å; C238-D243 PolarHBondContact N-O 3.35Å; C238-C260 HydrophobicContact CB-CB 4.16Å; C238-C260 PolarHBondContact SG-N 3.12Å; C238-C260 VanDerWaalsContact SG-SG 3.62Å
239I92.3Very high89.5Confident2 Ų237.1 Ų37.11%0.0121%0.21CC..THydrogen-bonded Turntrans-58.4-28.3178.1-171.4163.7000114.8H257 V258 I259 V290 A291 V393 A398 A401I239-H257 HydrophobicContact CD1-CB 3.83Å; I239-V258 WeakPolarHBondContact CB-O 3.34Å; I239-V258 VanDerWaalsContact CG2-O 3.28Å; I239-V258 WeakPolarHBondContact CG2-O 3.44Å; I239-V258 PolarHBondContact N-O 2.74Å; I239-I259 HydrophobicContact CG2-CB 3.99Å; I239-I259 HydrophobicContact CG2-CD1 4.43Å; I239-I259 HydrophobicContact CG2-CG1 4.14Å; I239-V290 HydrophobicContact CD1-CG1 4.13Å; I239-V290 HydrophobicContact CG1-CG1 4.43Å; I239-V290 HydrophobicContact CG2-CG1 3.49Å; I239-V290 VanDerWaalsContact CG2-CG1 3.49Å; I239-A291 HydrophobicContact CD1-CB 3.95Å; I239-V393 HydrophobicContact CD1-CG1 3.87Å; I239-V393 HydrophobicContact CG1-CG1 3.41Å; I239-V393 VanDerWaalsContact CG1-CG1 3.41Å; I239-A398 HydrophobicContact CD1-CB 4.09Å; I239-A398 HydrophobicContact CG1-CB 4.39Å; I239-A401 HydrophobicContact CB-CB 3.64Å; I239-A401 HydrophobicContact CG1-CB 4.26Å
240T88.6Confident89.6Confident45 Ų4537.8 Ų37.828%0.27621%0.213SC..THydrogen-bonded Turntrans-97.8-49.6-176.1-59.70000112.6C238 C263 Y391C238-T240 PolarHBondContact O-N 3.43Å; C238-T240 VanDerWaalsContact O-N 3.15Å; T240-C263 HydrophobicContact CG2-CB 4.35Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.37Å; T240-Y391 PolarHBondContact OG1-OH 3.32Å; T240-Y391 VanDerWaalsContact OG1-OH 3.09Å
241C88.3Confident89.8Confident39 Ų3937.5 Ų37.526%0.26421%0.211SC..THydrogen-bonded Turntrans-100.7-5.3-175.869.70000114C238 D243C238-C241 VanDerWaalsContact CB-SG 3.52Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C241-D243 PolarHBondContact O-N 2.85Å; C241-D243 PolarHBondContact SG-OD2 3.14Å; C241-D243 VanDerWaalsContact SG-OD2 3.37Å
242T88.8Confident89.9Confident78 Ų7839.5 Ų39.548%0.47922%0.219SC..  trans60.8-2-17666.40000115.9T237 C238 A397T237-T242 VanDerWaalsContact CB-O 3.28Å; T237-T242 WeakPolarHBondContact CB-O 3.42Å; T237-T242 WeakPolarHBondContact CG2-O 3.48Å; C238-T242 WeakPolarHBondContact O-CA 3.18Å; C238-T242 PolarHBondContact O-N 2.57Å; T242-A397 HydrophobicContact CG2-CB 3.9Å
243D90.3Very high90Very high80 Ų8039.5 Ų39.543%0.42822%0.219SC..  trans-72.9146.9175.7-58.9-40000112.2C238 C241 R245C238-D243 WeakPolarHBondContact CB-O 3.42Å; C238-D243 PolarHBondContact N-O 3.35Å; C241-D243 PolarHBondContact O-N 2.85Å; C241-D243 PolarHBondContact SG-OD2 3.14Å; C241-D243 VanDerWaalsContact SG-OD2 3.37Å; D243-R245 HydrophobicContact CB-CG 4.07Å
244V90Very high90.3Very high73 Ų7343.9 Ų43.944%0.44224%0.237SC..BIsolated β-bridgetrans-85.8112168.6-176.20000108.7N235 T237N235-V244 HydrophobicContact CB-CG1 4.06Å; T237-V244 HydrophobicContact CG2-CG2 3.8Å
245R89.4Confident90.5Very high49 Ų4941.1 Ų41.119%0.18523%0.232CC..  trans-125.7162-179.4-58.6-72.2-75.2112.38.5110Q78 N232 D243 V248 C260 D262Q78-R245 VanDerWaalsContact CB-NH1 3.33Å; Q78-R245 VanDerWaalsContact OE1-NH2 3.13Å; N232-R245 WeakPolarHBondContact CB-O 3.45Å; N232-R245 PolarHBondContact ND2-O 3.29Å; D243-R245 HydrophobicContact CB-CG 4.07Å; R245-V248 WeakPolarHBondContact O-CG1 3.23Å; R245-C260 HydrophobicContact CB-CB 3.77Å; R245-C260 HydrophobicContact CG-CB 3.93Å; R245-D262 IonicContact CZ-OD2 3.03Å; R245-D262 IonicContact NE-OD2 3.15Å; R245-D262 IonicContact NH2-OD2 3.7Å; R245-D262 PolarHBondContact NH2-OD2 2.82Å; R245-D262 VanDerWaalsContact NH2-OD2 3.15Å
246S88.8Confident90.8Very high38 Ų3841.1 Ų41.127%0.26623%0.225SC..SBendtrans-148132.8174-169.40000110.6Q78 N232Q78-S246 PolarHBondContact NE2-O 3.11Å; N232-S246 PolarHBondContact N-OG 2.77Å
247P92.1Very high91Very high22 Ų2240.2 Ų40.214%0.14322%0.22CC..SBendcis-74.6169.1-2.630.9-35.7000114.2Y147 I229 A230 L261Y147-P247 HydrophobicContact CD1-CB 4.4Å; Y147-P247 HydrophobicContact CD1-CG 4.15Å; Y147-P247 HydrophobicContact CD2-CB 4.2Å; Y147-P247 HydrophobicContact CE1-CB 3.87Å; Y147-P247 HydrophobicContact CE1-CG 3.68Å; Y147-P247 HydrophobicContact CE2-CB 3.64Å; Y147-P247 HydrophobicContact CE2-CG 4.37Å; Y147-P247 VanDerWaalsContact CZ-CB 3.45Å; I229-P247 HydrophobicContact CG2-CB 3.64Å; I229-P247 HydrophobicContact CG2-CG 4.07Å; A230-P247 WeakPolarHBondContact O-CA 3.41Å; A230-P247 WeakPolarHBondContact O-CB 3.44Å; P247-L261 HydrophobicContact CG-CD1 3.79Å; P247-L261 HydrophobicContact CG-CG 4.44Å
248V93.6Very high91.1Very high1 Ų139 Ų391%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-126.2153.4177-65.20000110.7I229 A230 N232 R245 V258 W403I229-V248 CarbonylContact C-O 3.6Å; I229-V248 WeakPolarHBondContact CA-O 3.36Å; A230-V248 PolarHBondContact N-O 3.37Å; A230-V248 PolarHBondContact O-N 3.45Å; N232-V248 HydrophobicContact CB-CG1 4.05Å; N232-V248 HydrophobicContact CB-CG2 3.99Å; R245-V248 WeakPolarHBondContact O-CG1 3.23Å; V248-V258 HydrophobicContact CB-CG1 3.49Å; V248-V258 VanDerWaalsContact CB-CG1 3.49Å; V248-V258 HydrophobicContact CG1-CG1 3.82Å; V248-V258 HydrophobicContact CG2-CG1 3.54Å; V248-W403 HydrophobicContact CG2-CZ3 4.18Å
249L95.1Very high91.2Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-97.1131.6170.8-176.4151000109.1L228 F251 I259 L261 F264L228-L249 HydrophobicContact CB-CG 4.09Å; L228-L249 CarbonylContact O-C 3.52Å; L228-L249 WeakPolarHBondContact O-CA 3.26Å; L249-F251 HydrophobicContact CD2-CD1 4.13Å; L249-F251 HydrophobicContact CD2-CD2 4.26Å; L249-F251 HydrophobicContact CD2-CE1 4.1Å; L249-F251 HydrophobicContact CD2-CE2 4.24Å; L249-F251 HydrophobicContact CD2-CG 4.21Å; L249-F251 HydrophobicContact CD2-CZ 4.16Å; L249-I259 HydrophobicContact CB-CG2 3.91Å; L249-I259 HydrophobicContact CD2-CG2 3.89Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 2.93Å; L249-I259 PolarHBondContact O-N 3.03Å; L249-L261 HydrophobicContact CB-CD2 4.24Å; L249-F264 HydrophobicContact CD1-CD1 4.32Å; L249-F264 HydrophobicContact CD1-CD2 3.94Å; L249-F264 HydrophobicContact CD1-CE1 4.17Å; L249-F264 HydrophobicContact CD1-CE2 3.82Å; L249-F264 HydrophobicContact CD1-CG 4.18Å; L249-F264 HydrophobicContact CD1-CZ 3.92Å; L249-F264 HydrophobicContact CD2-CD2 4.33Å; L249-F264 HydrophobicContact CD2-CE2 4.36Å
250V93.8Very high91.3Very high13 Ų1338.9 Ų38.98%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-107.9117.1179.1-172.80000108.8L228 A230 R256 V258 W403L228-V250 PolarHBondContact O-N 3.01Å; A230-V250 HydrophobicContact CB-CG2 4.43Å; V250-R256 HydrophobicContact CG1-CB 3.86Å; V250-R256 HydrophobicContact CG1-CG 4.36Å; V250-V258 HydrophobicContact CG2-CG2 4.37Å; V250-W403 HydrophobicContact CG1-CB 3.92Å; V250-W403 HydrophobicContact CG1-CG 4.06Å; V250-W403 HydrophobicContact CG2-CD2 4Å; V250-W403 HydrophobicContact CG2-CE3 4.04Å; V250-W403 HydrophobicContact CG2-CG 4.32Å; V250-W403 HydrophobicContact CG2-CZ3 4.49Å
251F93.9Very high91.5Very high1 Ų138.1 Ų38.10%0.00421%0.206CC..  trans-71.7146.6177.1-74.2-76.6000111.7L249 C253 R256 H257 I259 F264 C289 V290 I298L249-F251 HydrophobicContact CD2-CD1 4.13Å; L249-F251 HydrophobicContact CD2-CD2 4.26Å; L249-F251 HydrophobicContact CD2-CE1 4.1Å; L249-F251 HydrophobicContact CD2-CE2 4.24Å; L249-F251 HydrophobicContact CD2-CG 4.21Å; L249-F251 HydrophobicContact CD2-CZ 4.16Å; F251-C253 PolarHBondContact O-N 3.49Å; F251-R256 WeakPolarHBondContact O-CA 3.5Å; F251-H257 HydrophobicContact CD2-CB 4.46Å; F251-H257 PolarHBondContact N-O 3.42Å; F251-I259 HydrophobicContact CD2-CG2 4.2Å; F251-I259 HydrophobicContact CE2-CB 4.05Å; F251-I259 HydrophobicContact CE2-CD1 4.41Å; F251-I259 HydrophobicContact CE2-CG2 3.49Å; F251-I259 VanDerWaalsContact CE2-CG2 3.49Å; F251-I259 HydrophobicContact CZ-CG2 4.09Å; F251-F264 HydrophobicContact CE1-CE2 4.45Å; F251-F264 HydrophobicContact CZ-CD2 4.26Å; F251-F264 HydrophobicContact CZ-CE2 4.31Å; F251-C289 HydrophobicContact CB-CB 4.08Å; F251-C289 HydrophobicContact CD1-CB 4.13Å; F251-C289 HydrophobicContact CD2-CB 4.23Å; F251-C289 HydrophobicContact CG-CB 3.91Å; F251-V290 HydrophobicContact CE2-CG1 4.27Å; F251-I298 HydrophobicContact CD1-CG1 4.42Å; F251-I298 HydrophobicContact CE1-CD1 4.06Å; F251-I298 HydrophobicContact CE1-CG1 4.3Å
252Q91.2Very high91.6Very high69 Ų6937.9 Ų37.932%0.32220%0.202SC..SBendtrans-80.439.8174.5-62.4-176.8-20.700112.9H227 L228H227-Q252 PolarHBondContact CE1-NE2 3.15Å; L228-Q252 HydrophobicContact CD2-CG 3.61Å
253C91.3Very high91.7Very high7 Ų734.5 Ų34.55%0.04718%0.182CC..SBendtrans-89.4165.7171.5610000110.6F251 S255 R256 H257 C289 C293F251-C253 PolarHBondContact O-N 3.49Å; C253-S255 PolarHBondContact O-N 3.42Å; C253-R256 WeakPolarHBondContact O-CG 3.23Å; C253-R256 PolarHBondContact O-N 3.19Å; C253-R256 PolarHBondContact SG-N 3.45Å; C253-R256 VanDerWaalsContact SG-N 3.42Å; C253-H257 PolarHBondContact SG-N 2.94Å; C253-H257 PolarHBondContact SG-ND1 3.46Å; C253-H257 VanDerWaalsContact SG-ND1 3.42Å; C253-C289 HydrophobicContact CB-CB 4.33Å; C253-C293 HydrophobicContact CB-CB 3.6Å
254N89.5Confident91.8Very high157 Ų15730.7 Ų30.784%0.8416%0.161SC*.THydrogen-bonded Turntrans-54.1-37.7178.5-17377.1000113.2R256N254-R256 VanDerWaalsContact C-N 3.33Å
255S86.3Confident91.9Very high34 Ų3428 Ų2824%0.23814%0.144CC..THydrogen-bonded Turntrans-86.1-4.2179.8-46.80000113.8C253 H257C253-S255 PolarHBondContact O-N 3.42Å; S255-H257 PolarHBondContact O-N 3.36Å
256R90.4Very high91.9Very high100 Ų10026.3 Ų26.338%0.37714%0.138SC..  trans41.859.9-172.4-73.9-165.4148.1166.9-16.8113.9V250 F251 C253 N254 W403 E404V250-R256 HydrophobicContact CG1-CB 3.86Å; V250-R256 HydrophobicContact CG1-CG 4.36Å; F251-R256 WeakPolarHBondContact O-CA 3.5Å; C253-R256 WeakPolarHBondContact O-CG 3.23Å; C253-R256 PolarHBondContact O-N 3.19Å; C253-R256 PolarHBondContact SG-N 3.45Å; C253-R256 VanDerWaalsContact SG-N 3.42Å; N254-R256 VanDerWaalsContact C-N 3.33Å; R256-W403 HydrophobicContact CB-CB 3.78Å; R256-W403 WeakPolarHBondContact O-CB 3.49Å; R256-W403 PolarHBondContact O-N 3.31Å; R256-E404 HydrophobicContact CB-CG 4.44Å; R256-E404 VanDerWaalsContact CD-OE1 3.26Å; R256-E404 WeakPolarHBondContact CD-OE1 3.23Å; R256-E404 HydrophobicContact CG-CG 4.45Å; R256-E404 IonicContact CZ-OE1 3.54Å; R256-E404 IonicContact NE-OE1 2.73Å; R256-E404 IonicContact NH1-OE1 3.75Å; R256-E404 PolarHBondContact NH1-OE1 2.9Å
257H92.3Very high92Very high9 Ų925.5 Ų25.54%0.04213%0.129CC..BIsolated β-bridgetrans-60.6136.6179.2-70.4123.1000112.4I239 F251 C253 S255 C289 C293 A398 A401I239-H257 HydrophobicContact CD1-CB 3.83Å; F251-H257 HydrophobicContact CD2-CB 4.46Å; F251-H257 PolarHBondContact N-O 3.42Å; C253-H257 PolarHBondContact SG-N 2.94Å; C253-H257 PolarHBondContact SG-ND1 3.46Å; C253-H257 VanDerWaalsContact SG-ND1 3.42Å; S255-H257 PolarHBondContact O-N 3.36Å; H257-C289 PolarHBondContact ND1-SG 3.28Å; H257-C293 PolarHBondContact CE1-SG 2.81Å; H257-C293 PolarHBondContact ND1-SG 2.78Å; H257-C293 VanDerWaalsContact ND1-SG 3.45Å; H257-A398 PolarHBondContact CD2-O 2.88Å; H257-A398 VanDerWaalsContact CD2-O 3.29Å; H257-A398 PolarHBondContact NE2-O 2.8Å; H257-A401 CarbonylContact C-O 3.59Å; H257-A401 WeakPolarHBondContact CA-O 3.27Å
258V93.8Very high92Very high0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-101130.6-178-178.90000110.2I236 I239 V248 V250 A401 W403I236-V258 HydrophobicContact CB-CG2 4.33Å; I236-V258 HydrophobicContact CG2-CB 3.96Å; I236-V258 HydrophobicContact CG2-CG1 4.34Å; I236-V258 HydrophobicContact CG2-CG2 3.76Å; I239-V258 WeakPolarHBondContact CB-O 3.34Å; I239-V258 VanDerWaalsContact CG2-O 3.28Å; I239-V258 WeakPolarHBondContact CG2-O 3.44Å; I239-V258 PolarHBondContact N-O 2.74Å; V248-V258 HydrophobicContact CB-CG1 3.49Å; V248-V258 VanDerWaalsContact CB-CG1 3.49Å; V248-V258 HydrophobicContact CG1-CG1 3.82Å; V248-V258 HydrophobicContact CG2-CG1 3.54Å; V250-V258 HydrophobicContact CG2-CG2 4.37Å; V258-A401 WeakPolarHBondContact CB-O 3.39Å; V258-A401 WeakPolarHBondContact CG2-O 3.42Å; V258-A401 PolarHBondContact N-O 2.88Å; V258-W403 HydrophobicContact CG2-CB 4.05Å; V258-W403 HydrophobicContact CG2-CE3 3.82Å
259I94.9Very high91.8Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-129.7137174.5-167.2171.1000110.1I239 L249 F251 C263 F264 V290I239-I259 HydrophobicContact CG2-CB 3.99Å; I239-I259 HydrophobicContact CG2-CD1 4.43Å; I239-I259 HydrophobicContact CG2-CG1 4.14Å; L249-I259 HydrophobicContact CB-CG2 3.91Å; L249-I259 HydrophobicContact CD2-CG2 3.89Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 2.93Å; L249-I259 PolarHBondContact O-N 3.03Å; F251-I259 HydrophobicContact CD2-CG2 4.2Å; F251-I259 HydrophobicContact CE2-CB 4.05Å; F251-I259 HydrophobicContact CE2-CD1 4.41Å; F251-I259 HydrophobicContact CE2-CG2 3.49Å; F251-I259 VanDerWaalsContact CE2-CG2 3.49Å; F251-I259 HydrophobicContact CZ-CG2 4.09Å; I259-C263 HydrophobicContact CD1-CB 3.93Å; I259-C263 HydrophobicContact CG1-CB 3.69Å; I259-F264 HydrophobicContact CD1-CB 4.35Å; I259-F264 HydrophobicContact CG1-CB 4.49Å; I259-F264 HydrophobicContact CG2-CB 4.17Å; I259-F264 HydrophobicContact CG2-CD2 4.18Å; I259-V290 HydrophobicContact CD1-CB 4.44Å; I259-V290 HydrophobicContact CD1-CG1 4.22Å
260C94.1Very high91.4Very high2 Ų224.7 Ų24.71%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-71.2154.7173.474.40000110.7C238 R245 D262 C263 F264C238-C260 HydrophobicContact CB-CB 4.16Å; C238-C260 PolarHBondContact SG-N 3.12Å; C238-C260 VanDerWaalsContact SG-SG 3.62Å; R245-C260 HydrophobicContact CB-CB 3.77Å; R245-C260 HydrophobicContact CG-CB 3.93Å; C260-D262 PolarHBondContact O-N 3.34Å; C260-D262 VanDerWaalsContact O-N 3.15Å; C260-C263 PolarHBondContact O-N 3.36Å; C260-C263 PolarHBondContact SG-N 3.45Å; C260-C263 PolarHBondContact SG-SG 3.43Å; C260-F264 WeakPolarHBondContact O-CB 3.48Å; C260-F264 PolarHBondContact O-N 3.02Å
261L92.6Very high91.2Very high29 Ų2926 Ų2615%0.15213%0.128CC..Hα-helixtrans-62.6-24.4-179.9-58.5-171.9000112.9R72 V157 I229 P247 L249 H265 I306R72-L261 PolarHBondContact NH1-O 3.45Å; R72-L261 PolarHBondContact NH2-O 2.86Å; V157-L261 HydrophobicContact CB-CD1 4.37Å; V157-L261 HydrophobicContact CG1-CD1 4.38Å; V157-L261 HydrophobicContact CG2-CD1 4.27Å; I229-L261 HydrophobicContact CD1-CD2 4.01Å; I229-L261 HydrophobicContact CG1-CD2 4.37Å; P247-L261 HydrophobicContact CG-CD1 3.79Å; P247-L261 HydrophobicContact CG-CG 4.44Å; L249-L261 HydrophobicContact CB-CD2 4.24Å; L261-H265 PolarHBondContact O-N 3.39Å; L261-I306 HydrophobicContact CD2-CD1 4.24Å
262D90.6Very high90.9Very high33 Ų3326.2 Ų26.218%0.17613%0.129CC..Hα-helixtrans-67.1-53.6176.4-64.3-37.5000111.1R72 R245 C260 F264 L266R72-D262 IonicContact CZ-OD1 3.1Å; R72-D262 IonicContact NE-OD1 3.59Å; R72-D262 VanDerWaalsContact NH1-CA 3.27Å; R72-D262 PolarHBondContact NH1-O 2.84Å; R72-D262 IonicContact NH1-OD1 2.81Å; R72-D262 IonicContact NH2-OD1 2.66Å; R72-D262 PolarHBondContact NH2-OD1 2.89Å; R245-D262 IonicContact CZ-OD2 3.03Å; R245-D262 IonicContact NE-OD2 3.15Å; R245-D262 IonicContact NH2-OD2 3.7Å; R245-D262 PolarHBondContact NH2-OD2 2.82Å; R245-D262 VanDerWaalsContact NH2-OD2 3.15Å; C260-D262 PolarHBondContact O-N 3.34Å; C260-D262 VanDerWaalsContact O-N 3.15Å; D262-F264 PolarHBondContact O-N 3.35Å; D262-L266 WeakPolarHBondContact O-CG 3.44Å; D262-L266 PolarHBondContact O-N 2.81Å
263C90.8Very high90.6Very high8 Ų823 Ų235%0.05411%0.114CC..Hα-helixtrans-65.5-36174.2-680000112.6T240 I259 C260 H265 L266 Y267T240-C263 HydrophobicContact CG2-CB 4.35Å; I259-C263 HydrophobicContact CD1-CB 3.93Å; I259-C263 HydrophobicContact CG1-CB 3.69Å; C260-C263 PolarHBondContact O-N 3.36Å; C260-C263 PolarHBondContact SG-N 3.45Å; C260-C263 PolarHBondContact SG-SG 3.43Å; C263-H265 PolarHBondContact O-N 2.93Å; C263-L266 PolarHBondContact O-N 2.98Å; C263-Y267 WeakPolarHBondContact O-CB 3.47Å; C263-Y267 PolarHBondContact O-N 2.88Å
264F94.1Very high90.2Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-60.8-45.5178.7-179.3-100.4000112.5L249 F251 I259 C260 D262 Y267 C268 I298 F304 I306 L307L249-F264 HydrophobicContact CD1-CD1 4.32Å; L249-F264 HydrophobicContact CD1-CD2 3.94Å; L249-F264 HydrophobicContact CD1-CE1 4.17Å; L249-F264 HydrophobicContact CD1-CE2 3.82Å; L249-F264 HydrophobicContact CD1-CG 4.18Å; L249-F264 HydrophobicContact CD1-CZ 3.92Å; L249-F264 HydrophobicContact CD2-CD2 4.33Å; L249-F264 HydrophobicContact CD2-CE2 4.36Å; F251-F264 HydrophobicContact CE1-CE2 4.45Å; F251-F264 HydrophobicContact CZ-CD2 4.26Å; F251-F264 HydrophobicContact CZ-CE2 4.31Å; I259-F264 HydrophobicContact CD1-CB 4.35Å; I259-F264 HydrophobicContact CG1-CB 4.49Å; I259-F264 HydrophobicContact CG2-CB 4.17Å; I259-F264 HydrophobicContact CG2-CD2 4.18Å; C260-F264 WeakPolarHBondContact O-CB 3.48Å; C260-F264 PolarHBondContact O-N 3.02Å; D262-F264 PolarHBondContact O-N 3.35Å; F264-Y267 WeakPolarHBondContact O-CB 3.3Å; F264-Y267 PolarHBondContact O-N 3.28Å; F264-C268 VanDerWaalsContact CE1-SG 3.56Å; F264-C268 WeakPolarHBondContact CZ-SG 3.3Å; F264-C268 PolarHBondContact O-N 3.22Å; F264-C268 PolarHBondContact O-SG 2.73Å; F264-I298 HydrophobicContact CE2-CD1 3.71Å; F264-I298 HydrophobicContact CZ-CD1 3.81Å; F264-F304 HydrophobicContact CZ-CD1 4.37Å; F264-F304 HydrophobicContact CZ-CE1 4.19Å; F264-I306 HydrophobicContact CD1-CD1 3.54Å; F264-I306 HydrophobicContact CD1-CG1 4.06Å; F264-I306 HydrophobicContact CE1-CD1 3.52Å; F264-I306 HydrophobicContact CE1-CG1 3.93Å; F264-L307 HydrophobicContact CE1-CD2 4.39Å
265H91.8Very high90Very high17 Ų1719.2 Ų19.28%0.0799%0.09CC..Hα-helixtrans-74.5-29.7178.3145.5-6.5000112.7L261 C263 Y267 V269 L307L261-H265 PolarHBondContact O-N 3.39Å; C263-H265 PolarHBondContact O-N 2.93Å; H265-Y267 VanDerWaalsContact C-N 3.35Å; H265-V269 WeakPolarHBondContact O-CB 3.3Å; H265-V269 VanDerWaalsContact O-CG2 3.27Å; H265-V269 WeakPolarHBondContact O-CG2 3.39Å; H265-V269 PolarHBondContact O-N 3.02Å; H265-L307 HydrophobicContact CB-CD2 3.53Å
266L89.5Confident90.1Very high13 Ų1321 Ų217%0.06810%0.095CC..Hα-helixtrans-59.9-48.7167.8-67.7174.7000110.6R42 I44 V70 D262 C263 C268 V269 T270R42-L266 HydrophobicContact CB-CD2 4.19Å; R42-L266 VanDerWaalsContact CZ-CD1 3.42Å; I44-L266 HydrophobicContact CD1-CB 3.89Å; I44-L266 HydrophobicContact CD1-CD2 3.51Å; I44-L266 HydrophobicContact CD1-CG 4.16Å; I44-L266 HydrophobicContact CG1-CD2 4.07Å; V70-L266 HydrophobicContact CB-CD2 4.25Å; V70-L266 HydrophobicContact CG1-CD2 4.44Å; D262-L266 WeakPolarHBondContact O-CG 3.44Å; D262-L266 PolarHBondContact O-N 2.81Å; C263-L266 PolarHBondContact O-N 2.98Å; L266-C268 PolarHBondContact O-N 3.19Å; L266-V269 PolarHBondContact O-N 3.49Å; L266-T270 VanDerWaalsContact O-CG2 3.32Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 2.98Å; L266-T270 PolarHBondContact O-OG1 3.37Å; L266-T270 VanDerWaalsContact O-OG1 3.05Å
267Y91.2Very high90.1Very high20 Ų2017 Ų178%0.0788%0.079CC..Hα-helixtrans-55.2-53.5177.1172.6-117.9000111.5C263 F264 H265 V269 T270 R271 L287 P288 V290C263-Y267 WeakPolarHBondContact O-CB 3.47Å; C263-Y267 PolarHBondContact O-N 2.88Å; F264-Y267 WeakPolarHBondContact O-CB 3.3Å; F264-Y267 PolarHBondContact O-N 3.28Å; H265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-V269 PolarHBondContact O-N 2.92Å; Y267-T270 PolarHBondContact O-N 3.36Å; Y267-T270 PolarHBondContact O-OG1 2.98Å; Y267-R271 HydrophobicContact CD2-CG 4.03Å; Y267-R271 HydrophobicContact CE2-CG 3.83Å; Y267-R271 VanDerWaalsContact O-CG 3.31Å; Y267-R271 WeakPolarHBondContact O-CG 3.18Å; Y267-R271 PolarHBondContact O-N 2.94Å; Y267-L287 HydrophobicContact CD1-CD1 4.13Å; Y267-L287 HydrophobicContact CE1-CB 3.95Å; Y267-L287 HydrophobicContact CE1-CD1 3.81Å; Y267-L287 HydrophobicContact CE1-CG 4.36Å; Y267-P288 PolarHBondContact OH-O 3.47Å; Y267-V290 HydrophobicContact CD2-CB 4.33Å; Y267-V290 HydrophobicContact CD2-CG2 3.65Å; Y267-V290 HydrophobicContact CE1-CB 4.46Å; Y267-V290 HydrophobicContact CE2-CB 4.16Å; Y267-V290 HydrophobicContact CE2-CG2 3.78Å; Y267-V290 HydrophobicContact CG-CG2 4.12Å
268C91.5Very high89.9Confident0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-59.5-45179.1-660000113.2F264 L266 R271 L272 L287 L307F264-C268 VanDerWaalsContact CE1-SG 3.56Å; F264-C268 WeakPolarHBondContact CZ-SG 3.3Å; F264-C268 PolarHBondContact O-N 3.22Å; F264-C268 PolarHBondContact O-SG 2.73Å; L266-C268 PolarHBondContact O-N 3.19Å; C268-R271 PolarHBondContact O-N 3.31Å; C268-L272 WeakPolarHBondContact O-CG 3.5Å; C268-L272 PolarHBondContact O-N 2.91Å; C268-L287 HydrophobicContact CB-CD1 4.26Å; C268-L307 HydrophobicContact CB-CD1 3.71Å; C268-L307 HydrophobicContact CB-CD2 3.53Å; C268-L307 HydrophobicContact CB-CG 4.26Å
269V89.5Confident89.7Confident0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-68.4-39.9-178.6177.20000111.6V70 H265 L266 Y267 L272 N273 Q311V70-V269 HydrophobicContact CB-CG1 4.34Å; V70-V269 HydrophobicContact CG1-CB 4.1Å; V70-V269 HydrophobicContact CG1-CG1 3.91Å; V70-V269 HydrophobicContact CG1-CG2 4.17Å; V70-V269 HydrophobicContact CG2-CB 4.03Å; V70-V269 HydrophobicContact CG2-CG1 3.56Å; H265-V269 WeakPolarHBondContact O-CB 3.3Å; H265-V269 VanDerWaalsContact O-CG2 3.27Å; H265-V269 WeakPolarHBondContact O-CG2 3.39Å; H265-V269 PolarHBondContact O-N 3.02Å; L266-V269 PolarHBondContact O-N 3.49Å; Y267-V269 PolarHBondContact O-N 2.92Å; V269-L272 PolarHBondContact O-N 3.04Å; V269-N273 PolarHBondContact O-N 3.35Å; V269-N273 PolarHBondContact O-ND2 3.32Å; V269-N273 PolarHBondContact O-OD1 3.37Å; V269-Q311 HydrophobicContact CG2-CG 4.08Å
270T86.9Confident89.5Confident7 Ų727 Ų274%0.04313%0.132CC..Hα-helixtrans-60.1-45.9173.553.60000111.6I44 H68 L266 Y267 L272 N273 D274I44-T270 HydrophobicContact CB-CG2 4.19Å; I44-T270 HydrophobicContact CD1-CG2 3.33Å; I44-T270 HydrophobicContact CG1-CG2 4.39Å; I44-T270 HydrophobicContact CG2-CG2 3.99Å; H68-T270 HydrophobicContact CB-CG2 4.07Å; L266-T270 VanDerWaalsContact O-CG2 3.32Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 2.98Å; L266-T270 PolarHBondContact O-OG1 3.37Å; L266-T270 VanDerWaalsContact O-OG1 3.05Å; Y267-T270 PolarHBondContact O-N 3.36Å; Y267-T270 PolarHBondContact O-OG1 2.98Å; T270-L272 VanDerWaalsContact C-N 3.32Å; T270-L272 PolarHBondContact O-N 3.37Å; T270-N273 PolarHBondContact O-N 3.48Å; T270-N273 VanDerWaalsContact O-N 3.15Å; T270-D274 WeakPolarHBondContact O-CB 3.13Å; T270-D274 PolarHBondContact O-N 3.39Å
271R88.8Confident89.1Confident40 Ų4032.3 Ų32.315%0.15117%0.167CC..Hα-helixtrans-68.1-28.5177.8-60.3-59.5177.2-158.8-4.7113.6Y267 C268 R275 Q276 F277 L287Y267-R271 HydrophobicContact CD2-CG 4.03Å; Y267-R271 HydrophobicContact CE2-CG 3.83Å; Y267-R271 VanDerWaalsContact O-CG 3.31Å; Y267-R271 WeakPolarHBondContact O-CG 3.18Å; Y267-R271 PolarHBondContact O-N 2.94Å; C268-R271 PolarHBondContact O-N 3.31Å; R271-R275 WeakPolarHBondContact O-CA 3.37Å; R271-R275 PolarHBondContact O-N 3.22Å; R271-Q276 PolarHBondContact O-N 2.63Å; R271-F277 HydrophobicContact CB-CD2 4.14Å; R271-F277 HydrophobicContact CB-CE2 3.9Å; R271-L287 HydrophobicContact CB-CD1 4.06Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.25Å; R271-L287 HydrophobicContact CG-CD2 3.9Å
272L87Confident88.8Confident6 Ų640.3 Ų40.33%0.03120%0.203CC..Hα-helixtrans-66.3-45.1170.8-78.4173.7000110.5C268 V269 T270 R275 F277 L307 Y315 Y318C268-L272 WeakPolarHBondContact O-CG 3.5Å; C268-L272 PolarHBondContact O-N 2.91Å; V269-L272 PolarHBondContact O-N 3.04Å; T270-L272 VanDerWaalsContact C-N 3.32Å; T270-L272 PolarHBondContact O-N 3.37Å; L272-R275 PolarHBondContact O-N 3.43Å; L272-F277 HydrophobicContact CB-CE2 4.21Å; L272-F277 HydrophobicContact CD2-CD2 3.97Å; L272-F277 HydrophobicContact CD2-CE2 3.4Å; L272-F277 VanDerWaalsContact CD2-CE2 3.4Å; L272-F277 HydrophobicContact CD2-CZ 3.7Å; L272-F277 HydrophobicContact CG-CD2 4.39Å; L272-F277 HydrophobicContact CG-CE2 3.47Å; L272-F277 VanDerWaalsContact CG-CE2 3.47Å; L272-F277 HydrophobicContact CG-CZ 3.83Å; L272-L307 HydrophobicContact CD1-CD1 4.5Å; L272-Y315 HydrophobicContact CD2-CD2 4.47Å; L272-Y318 HydrophobicContact CD2-CD2 3.84Å; L272-Y318 HydrophobicContact CD2-CE2 4.38Å
273N84.8Confident88.6Confident1 Ų141.3 Ų41.31%0.00521%0.209CC..Hα-helixtrans-66.9-40.4178.1-62.8-19.2000111.4R6 S9 S10 V269 T270 R275 R314R6-N273 HydrophobicContact CB-CB 4.42Å; S9-N273 PolarHBondContact O-OD1 3.39Å; S10-N273 WeakPolarHBondContact CA-O 3.34Å; V269-N273 PolarHBondContact O-N 3.35Å; V269-N273 PolarHBondContact O-ND2 3.32Å; V269-N273 PolarHBondContact O-OD1 3.37Å; T270-N273 PolarHBondContact O-N 3.48Å; T270-N273 VanDerWaalsContact O-N 3.15Å; N273-R275 PolarHBondContact O-N 3.49Å; N273-R314 PolarHBondContact OD1-NH1 3.19Å; N273-R314 PolarHBondContact OD1-NH2 3.32Å
274D84.4Confident88.6Confident36 Ų3642 Ų4219%0.19322%0.217CC..THydrogen-bonded Turntrans-77.3-8.4178.1-71.7-27.6000114.2R6 H68 T270 Q276R6-D274 IonicContact CZ-OD1 3.59Å; R6-D274 IonicContact NH1-OD1 2.78Å; R6-D274 PolarHBondContact NH1-OD1 2.94Å; H68-D274 IonicContact CE1-OD1 2.73Å; H68-D274 PolarHBondContact CE1-OD1 3.01Å; H68-D274 IonicContact CE1-OD2 3.91Å; H68-D274 IonicContact NE2-OD1 3.51Å; H68-D274 PolarHBondContact NE2-OD1 3.13Å; H68-D274 IonicContact NE2-OD2 2.74Å; T270-D274 WeakPolarHBondContact O-CB 3.13Å; T270-D274 PolarHBondContact O-N 3.39Å; D274-Q276 VanDerWaalsContact C-N 3.3Å; D274-Q276 HydrophobicContact CB-CB 4.36Å; D274-Q276 HydrophobicContact CB-CG 3.92Å; D274-Q276 PolarHBondContact O-N 2.9Å
275R85.1Confident88.4Confident49 Ų4943.8 Ų43.819%0.18522%0.224CC..THydrogen-bonded Turntrans53.646.2-172.9-50.1-171.970.582-2.8112.9R271 L272 N273 Y318 E321 E322 L325 L331R271-R275 WeakPolarHBondContact O-CA 3.37Å; R271-R275 PolarHBondContact O-N 3.22Å; L272-R275 PolarHBondContact O-N 3.43Å; N273-R275 PolarHBondContact O-N 3.49Å; R275-Y318 WeakPolarHBondContact CA-OH 3.44Å; R275-Y318 HydrophobicContact CB-CE2 4.39Å; R275-Y318 WeakPolarHBondContact CB-OH 3.39Å; R275-Y318 PolarHBondContact O-OH 2.78Å; R275-E321 IonicContact CZ-OE2 2.82Å; R275-E321 IonicContact NH1-OE2 2.62Å; R275-E321 PolarHBondContact NH1-OE2 2.98Å; R275-E321 VanDerWaalsContact NH2-CB 3.28Å; R275-E321 IonicContact NH2-OE2 2.89Å; R275-E322 IonicContact CZ-OE1 3.23Å; R275-E322 IonicContact NE-OE1 3.99Å; R275-E322 PolarHBondContact NE-OE1 2.85Å; R275-E322 IonicContact NH2-OE1 3.98Å; R275-E322 PolarHBondContact NH2-OE1 3Å; R275-L325 VanDerWaalsContact CZ-CD1 3.48Å; R275-L331 VanDerWaalsContact CZ-CD1 3.47Å
276Q87.4Confident88.6Confident72 Ų7243 Ų4334%0.33622%0.22SC..  trans-110.930.4-178.4-72.6-178-11.200112.9R271 D274R271-Q276 PolarHBondContact O-N 2.63Å; D274-Q276 VanDerWaalsContact C-N 3.3Å; D274-Q276 HydrophobicContact CB-CB 4.36Å; D274-Q276 HydrophobicContact CB-CG 3.92Å; D274-Q276 PolarHBondContact O-N 2.9Å
277F89.9Confident88.8Confident14 Ų1442.4 Ų42.46%0.06122%0.217CC..PPolyproline II helixtrans-73.3138.6167.9-85.9-112.7000110.1R271 L272 Y285 L287 F304 Y315 Y318R271-F277 HydrophobicContact CB-CD2 4.14Å; R271-F277 HydrophobicContact CB-CE2 3.9Å; L272-F277 HydrophobicContact CB-CE2 4.21Å; L272-F277 HydrophobicContact CD2-CD2 3.97Å; L272-F277 HydrophobicContact CD2-CE2 3.4Å; L272-F277 VanDerWaalsContact CD2-CE2 3.4Å; L272-F277 HydrophobicContact CD2-CZ 3.7Å; L272-F277 HydrophobicContact CG-CD2 4.39Å; L272-F277 HydrophobicContact CG-CE2 3.47Å; L272-F277 VanDerWaalsContact CG-CE2 3.47Å; L272-F277 HydrophobicContact CG-CZ 3.83Å; F277-Y285 HydrophobicContact CB-CD1 4.14Å; F277-L287 HydrophobicContact CD1-CD2 4.27Å; F277-L287 HydrophobicContact CD1-CG 3.92Å; F277-L287 HydrophobicContact CD2-CD2 4.07Å; F277-L287 HydrophobicContact CD2-CG 4.33Å; F277-L287 HydrophobicContact CE1-CD1 3.93Å; F277-L287 HydrophobicContact CE1-CD2 4.41Å; F277-L287 HydrophobicContact CE1-CG 3.68Å; F277-L287 HydrophobicContact CE2-CD1 3.85Å; F277-L287 HydrophobicContact CE2-CD2 4.17Å; F277-L287 HydrophobicContact CE2-CG 4.07Å; F277-L287 HydrophobicContact CG-CD2 4.11Å; F277-L287 HydrophobicContact CG-CG 4.25Å; F277-L287 HydrophobicContact CZ-CD1 3.52Å; F277-L287 HydrophobicContact CZ-CD2 4.37Å; F277-L287 HydrophobicContact CZ-CG 3.77Å; F277-F304 HydrophobicContact CE1-CE1 4.12Å; F277-F304 HydrophobicContact CE1-CZ 4.18Å; F277-F304 HydrophobicContact CZ-CE1 4.5Å; F277-Y315 AromaticContact CD1-CD2 3.99Å; F277-Y315 HydrophobicContact CD1-CD2 3.99Å; F277-Y315 AromaticContact CD1-CE2 3.82Å; F277-Y315 HydrophobicContact CD1-CE2 3.82Å; F277-Y315 AromaticContact CE1-CD2 3.46Å; F277-Y315 HydrophobicContact CE1-CD2 3.46Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.46Å; F277-Y315 AromaticContact CE1-CE2 3.53Å; F277-Y315 HydrophobicContact CE1-CE2 3.53Å; F277-Y315 HydrophobicContact CZ-CD2 4.05Å; F277-Y318 HydrophobicContact CB-CD1 4.31Å; F277-Y318 HydrophobicContact CB-CE1 3.72Å; F277-Y318 HydrophobicContact CB-CE2 4.3Å; F277-Y318 HydrophobicContact CD2-CE2 4.14Å; F277-Y318 HydrophobicContact CG-CE2 4.44Å; F277-Y318 PolarHBondContact N-OH 3.11Å
278V89.8Confident88.9Confident66 Ų6642.7 Ų42.740%0.422%0.221SC..EExtended strand (participates in β ladder)trans-90.2125.1-179.9-178.30000108.3Y285 S286 P288 L297V278-Y285 WeakPolarHBondContact O-CA 3.22Å; V278-S286 PolarHBondContact N-O 3.21Å; V278-S286 PolarHBondContact O-N 3.41Å; V278-P288 HydrophobicContact CG2-CG 4.4Å; V278-L297 HydrophobicContact CB-CD2 3.95Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å
279H89.9Confident89Confident103 Ų10342.7 Ų42.748%0.47722%0.221SC..EExtended strand (participates in β ladder)trans-83.6122.9173.6179.8-102.6000110.4Y285H279-Y285 HydrophobicContact CB-CD1 3.97Å; H279-Y285 HydrophobicContact CB-CE1 3.65Å; H279-Y285 AromaticContact CD2-CE2 3.74Å; H279-Y285 AromaticContact CD2-CZ 3.74Å
280D89.6Confident89.1Confident51 Ų5143 Ų4327%0.27322%0.223SC..EExtended strand (participates in β ladder)trans-107.1129.3166.3178.8-76.5000109.2Q282 L283 G284 L297D280-Q282 PolarHBondContact O-N 2.72Å; D280-Q282 PolarHBondContact OD1-N 2.66Å; D280-L283 HydrophobicContact CB-CB 3.85Å; D280-L283 PolarHBondContact O-N 2.81Å; D280-L283 PolarHBondContact OD1-N 2.97Å; D280-G284 PolarHBondContact N-O 2.9Å; D280-G284 WeakPolarHBondContact O-CA 3.45Å; D280-G284 PolarHBondContact O-N 2.68Å; D280-L297 HydrophobicContact CB-CD1 4.08Å
281P86.5Confident89.1Confident114 Ų11444.7 Ų44.774%0.7424%0.238SC*.THydrogen-bonded Turntrans-60.9-25.9-175.1-25.434.5000115.6
282Q86.4Confident89.1Confident196 Ų19645.7 Ų45.792%0.91626%0.26SS*.THydrogen-bonded Turntrans-96.7-29.5-178.8-64.3-175.2-5.300111.8D280D280-Q282 PolarHBondContact O-N 2.72Å; D280-Q282 PolarHBondContact OD1-N 2.66Å
283L86.6Confident89.2Confident55 Ų5546.5 Ų46.529%0.28827%0.266SS..THydrogen-bonded Turntrans-96.7-34.4-175.1-158.272.2000113.8D280 I298 K299 L301D280-L283 HydrophobicContact CB-CB 3.85Å; D280-L283 PolarHBondContact O-N 2.81Å; D280-L283 PolarHBondContact OD1-N 2.97Å; L283-I298 WeakPolarHBondContact CD2-O 3.03Å; L283-K299 HydrophobicContact CD1-CB 4.39Å; L283-K299 WeakPolarHBondContact CD1-O 3.35Å; L283-L301 HydrophobicContact CD2-CD2 4.09Å; L283-L301 HydrophobicContact CG-CD2 4.17Å; L283-L301 WeakPolarHBondContact O-CD1 3.47Å
284G89Confident89.4Confident22 Ų2251.7 Ų51.723%0.22730%0.3CS..EExtended strand (participates in β ladder)trans94.7-152.6-164.700000112.7D280D280-G284 PolarHBondContact N-O 2.9Å; D280-G284 WeakPolarHBondContact O-CA 3.45Å; D280-G284 PolarHBondContact O-N 2.68Å
285Y91.8Very high89.7Confident38 Ų3857.6 Ų57.615%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-83.4126.2-177.2-69.7-85.7000112F277 V278 H279 Y315 Y318 G319 E322F277-Y285 HydrophobicContact CB-CD1 4.14Å; V278-Y285 WeakPolarHBondContact O-CA 3.22Å; H279-Y285 HydrophobicContact CB-CD1 3.97Å; H279-Y285 HydrophobicContact CB-CE1 3.65Å; H279-Y285 AromaticContact CD2-CE2 3.74Å; H279-Y285 AromaticContact CD2-CZ 3.74Å; Y285-Y315 WeakPolarHBondContact O-CE2 3.47Å; Y285-Y315 PolarHBondContact O-OH 3.42Å; Y285-Y318 AromaticContact CD1-CD1 3.65Å; Y285-Y318 HydrophobicContact CD1-CD1 3.65Å; Y285-Y318 AromaticContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD2-CD1 4.2Å; Y285-Y318 AromaticContact CE1-CD1 3.95Å; Y285-Y318 HydrophobicContact CE1-CD1 3.95Å; Y285-Y318 AromaticContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE2-CD1 4.49Å; Y285-Y318 AromaticContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CE1 4.14Å; Y285-G319 VanDerWaalsContact CE2-CA 3.49Å; Y285-E322 HydrophobicContact CE1-CB 4.47Å; Y285-E322 HydrophobicContact CE1-CG 3.99Å; Y285-E322 VanDerWaalsContact OH-CB 3.26Å; Y285-E322 WeakPolarHBondContact OH-CB 3.22Å
286S94.4Very high90Very high0 Ų055.4 Ų55.40%032%0.324CS..EExtended strand (participates in β ladder)trans-144.8179.4178-167.50000111.6V278 I298V278-S286 PolarHBondContact N-O 3.21Å; V278-S286 PolarHBondContact O-N 3.41Å; S286-I298 PolarHBondContact OG-N 3.31Å; S286-I298 PolarHBondContact OG-O 3.26Å
287L94Very high90.4Very high1 Ų153.7 Ų53.71%0.00532%0.317CS..  trans-121.2138.2176.1-73.9175.4000110.9Y267 C268 R271 F277 I298 F304Y267-L287 HydrophobicContact CD1-CD1 4.13Å; Y267-L287 HydrophobicContact CE1-CB 3.95Å; Y267-L287 HydrophobicContact CE1-CD1 3.81Å; Y267-L287 HydrophobicContact CE1-CG 4.36Å; C268-L287 HydrophobicContact CB-CD1 4.26Å; R271-L287 HydrophobicContact CB-CD1 4.06Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.25Å; R271-L287 HydrophobicContact CG-CD2 3.9Å; F277-L287 HydrophobicContact CD1-CD2 4.27Å; F277-L287 HydrophobicContact CD1-CG 3.92Å; F277-L287 HydrophobicContact CD2-CD2 4.07Å; F277-L287 HydrophobicContact CD2-CG 4.33Å; F277-L287 HydrophobicContact CE1-CD1 3.93Å; F277-L287 HydrophobicContact CE1-CD2 4.41Å; F277-L287 HydrophobicContact CE1-CG 3.68Å; F277-L287 HydrophobicContact CE2-CD1 3.85Å; F277-L287 HydrophobicContact CE2-CD2 4.17Å; F277-L287 HydrophobicContact CE2-CG 4.07Å; F277-L287 HydrophobicContact CG-CD2 4.11Å; F277-L287 HydrophobicContact CG-CG 4.25Å; F277-L287 HydrophobicContact CZ-CD1 3.52Å; F277-L287 HydrophobicContact CZ-CD2 4.37Å; F277-L287 HydrophobicContact CZ-CG 3.77Å; L287-I298 PolarHBondContact O-N 3.03Å; L287-F304 HydrophobicContact CB-CE1 4.4Å; L287-F304 HydrophobicContact CB-CZ 4.24Å; L287-F304 HydrophobicContact CD1-CE1 4.21Å; L287-F304 HydrophobicContact CG-CE1 4.44Å
288P94.3Very high90.6Very high26 Ų2653.2 Ų53.217%0.16932%0.315CS..  trans-79177.5171.934.5-35.2000110.5Y267 V278 V290 L297Y267-P288 PolarHBondContact OH-O 3.47Å; V278-P288 HydrophobicContact CG2-CG 4.4Å; P288-V290 PolarHBondContact O-N 2.89Å; P288-L297 HydrophobicContact CB-CD2 4.14Å
289C93.4Very high90.6Very high0 Ų056 Ų560%032%0.321CS..  trans-49.8137.9165.8-177.80000110.6F251 C253 H257 A291 G292 C293 S296F251-C289 HydrophobicContact CB-CB 4.08Å; F251-C289 HydrophobicContact CD1-CB 4.13Å; F251-C289 HydrophobicContact CD2-CB 4.23Å; F251-C289 HydrophobicContact CG-CB 3.91Å; C253-C289 HydrophobicContact CB-CB 4.33Å; H257-C289 PolarHBondContact ND1-SG 3.28Å; C289-A291 PolarHBondContact O-N 2.63Å; C289-A291 VanDerWaalsContact O-N 3.07Å; C289-G292 PolarHBondContact O-N 3Å; C289-C293 HydrophobicContact CB-CB 4.06Å; C289-S296 VanDerWaalsContact CB-OG 3.23Å; C289-S296 WeakPolarHBondContact CB-OG 3.4Å; C289-S296 PolarHBondContact N-O 3.33Å; C289-S296 PolarHBondContact N-OG 3.21Å
290V90.6Very high90.6Very high7 Ų753.8 Ų53.84%0.04231%0.311CS..THydrogen-bonded Turntrans-59-22.1-178.469.10000113.7I239 F251 I259 Y267 P288 G292 Y391 V393I239-V290 HydrophobicContact CD1-CG1 4.13Å; I239-V290 HydrophobicContact CG1-CG1 4.43Å; I239-V290 HydrophobicContact CG2-CG1 3.49Å; I239-V290 VanDerWaalsContact CG2-CG1 3.49Å; F251-V290 HydrophobicContact CE2-CG1 4.27Å; I259-V290 HydrophobicContact CD1-CB 4.44Å; I259-V290 HydrophobicContact CD1-CG1 4.22Å; Y267-V290 HydrophobicContact CD2-CB 4.33Å; Y267-V290 HydrophobicContact CD2-CG2 3.65Å; Y267-V290 HydrophobicContact CE1-CB 4.46Å; Y267-V290 HydrophobicContact CE2-CB 4.16Å; Y267-V290 HydrophobicContact CE2-CG2 3.78Å; Y267-V290 HydrophobicContact CG-CG2 4.12Å; P288-V290 PolarHBondContact O-N 2.89Å; V290-G292 VanDerWaalsContact C-N 3.3Å; V290-Y391 HydrophobicContact CG2-CD1 4.29Å; V290-Y391 HydrophobicContact CG2-CE1 3.37Å; V290-V393 HydrophobicContact CG1-CG2 4.35Å
291A88.3Confident90.7Very high42 Ų4253.6 Ų53.635%0.34731%0.31SS..THydrogen-bonded Turntrans-81.9-0.7173.200000114.1I239 C289 V393I239-A291 HydrophobicContact CD1-CB 3.95Å; C289-A291 PolarHBondContact O-N 2.63Å; C289-A291 VanDerWaalsContact O-N 3.07Å; A291-V393 HydrophobicContact CB-CG2 4.22Å
292G87.7Confident90.9Very high60 Ų6050.7 Ų50.762%0.61929%0.286SS*.  trans74.823.7-179.100000114.4C289 V290C289-G292 PolarHBondContact O-N 3Å; V290-G292 VanDerWaalsContact C-N 3.3Å
293C89.7Confident91.2Very high24 Ų2441.3 Ų41.316%0.16224%0.243CC..  trans-62.4141.6179.6-58.20000111.9C253 H257 C289 S296C253-C293 HydrophobicContact CB-CB 3.6Å; H257-C293 PolarHBondContact CE1-SG 2.81Å; H257-C293 PolarHBondContact ND1-SG 2.78Å; H257-C293 VanDerWaalsContact ND1-SG 3.45Å; C289-C293 HydrophobicContact CB-CB 4.06Å; C293-S296 WeakPolarHBondContact O-CB 3.46Å; C293-S296 PolarHBondContact O-OG 3.17Å
294P89.5Confident91.6Very high109 Ų10938.7 Ų38.771%0.70823%0.229SC*.THydrogen-bonded Turntrans-65.3152.5176.129.1-35.2000111.3S296P294-S296 PolarHBondContact O-N 2.98Å; P294-S296 VanDerWaalsContact O-N 3.11Å
295N89.1Confident91.7Very high161 Ų16142 Ų4286%0.86124%0.235SC*.THydrogen-bonded Turntrans52.132.9175.7-60.8-28.4000114.9
296S93.3Very high91.7Very high2 Ų241.4 Ų41.41%0.01423%0.234CC..  trans-111.818-174.768.60000113.9C289 C293 P294C289-S296 VanDerWaalsContact CB-OG 3.23Å; C289-S296 WeakPolarHBondContact CB-OG 3.4Å; C289-S296 PolarHBondContact N-O 3.33Å; C289-S296 PolarHBondContact N-OG 3.21Å; C293-S296 WeakPolarHBondContact O-CB 3.46Å; C293-S296 PolarHBondContact O-OG 3.17Å; P294-S296 PolarHBondContact O-N 2.98Å; P294-S296 VanDerWaalsContact O-N 3.11Å
297L93.9Very high91.5Very high37 Ų3741.8 Ų41.819%0.19424%0.236CC..  trans-61136.4176.1-69.8172000110.4V278 D280 P288 K299V278-L297 HydrophobicContact CB-CD2 3.95Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å; D280-L297 HydrophobicContact CB-CD1 4.08Å; P288-L297 HydrophobicContact CB-CD2 4.14Å; L297-K299 PolarHBondContact O-N 3.08Å; L297-K299 VanDerWaalsContact O-N 3.12Å
298I94.4Very high91.2Very high3 Ų342.7 Ų42.72%0.01525%0.245CC..  trans-69.1109.2173.7-63.7168.7000108.2L228 F251 F264 L283 S286 L287 H303 F304L228-I298 HydrophobicContact CD1-CG1 4.22Å; L228-I298 HydrophobicContact CD1-CG2 3.85Å; F251-I298 HydrophobicContact CD1-CG1 4.42Å; F251-I298 HydrophobicContact CE1-CD1 4.06Å; F251-I298 HydrophobicContact CE1-CG1 4.3Å; F264-I298 HydrophobicContact CE2-CD1 3.71Å; F264-I298 HydrophobicContact CZ-CD1 3.81Å; L283-I298 WeakPolarHBondContact CD2-O 3.03Å; S286-I298 PolarHBondContact OG-N 3.31Å; S286-I298 PolarHBondContact OG-O 3.26Å; L287-I298 PolarHBondContact O-N 3.03Å; I298-H303 HydrophobicContact CG2-CB 4.18Å; I298-F304 HydrophobicContact CB-CZ 4.43Å; I298-F304 HydrophobicContact CD1-CE1 4.29Å; I298-F304 HydrophobicContact CD1-CZ 4.08Å
299K91Very high90.9Very high124 Ų12446 Ų4654%0.53926%0.259SS..SBendtrans-70.3-42.8179.8-63.3179.3-177.2177.50111.4L283 L297 L301L283-K299 HydrophobicContact CD1-CB 4.39Å; L283-K299 WeakPolarHBondContact CD1-O 3.35Å; L297-K299 PolarHBondContact O-N 3.08Å; L297-K299 VanDerWaalsContact O-N 3.12Å; K299-L301 PolarHBondContact O-N 3.48Å; K299-L301 VanDerWaalsContact O-N 3.11Å
300E89.6Confident90.5Very high58 Ų5851 Ų5127%0.27128%0.282SS..  trans-86.290-177.7-69.974.7-155.300111.9H227 H302 H303H227-E300 IonicContact CD2-OE2 3.35Å; H227-E300 IonicContact CE1-OE2 3.42Å; H227-E300 PolarHBondContact CE1-OE2 2.83Å; H227-E300 VanDerWaalsContact CE1-OE2 3.23Å; H227-E300 VanDerWaalsContact NE2-CG 3.34Å; H227-E300 WeakPolarHBondContact NE2-CG 3.31Å; H227-E300 IonicContact NE2-OE1 3.6Å; H227-E300 IonicContact NE2-OE2 2.71Å; H227-E300 PolarHBondContact NE2-OE2 3.15Å; E300-H302 VanDerWaalsContact CB-CE1 3.44Å; E300-H302 WeakPolarHBondContact CB-CE1 3.41Å; E300-H302 PolarHBondContact O-N 2.86Å; E300-H303 WeakPolarHBondContact CB-ND1 3.42Å; E300-H303 PolarHBondContact O-N 2.92Å; E300-H303 PolarHBondContact O-ND1 3.15Å
301L91.1Very high90.5Very high47 Ų4751 Ų5125%0.24628%0.281CS..G310 helixtrans-59.7-17.8-174.9-53.9-176.7000114.8L283 K299 H303 F304 Y315L283-L301 HydrophobicContact CD2-CD2 4.09Å; L283-L301 HydrophobicContact CG-CD2 4.17Å; L283-L301 WeakPolarHBondContact O-CD1 3.47Å; K299-L301 PolarHBondContact O-N 3.48Å; K299-L301 VanDerWaalsContact O-N 3.11Å; L301-H303 PolarHBondContact O-N 3.16Å; L301-F304 HydrophobicContact CB-CD2 4.43Å; L301-F304 HydrophobicContact CD2-CD2 4.48Å; L301-F304 HydrophobicContact CD2-CE2 4.05Å; L301-F304 WeakPolarHBondContact O-CD2 3.43Å; L301-F304 PolarHBondContact O-N 2.9Å; L301-F304 VanDerWaalsContact O-N 3.08Å; L301-Y315 WeakPolarHBondContact CD2-OH 3.14Å
302H90.8Very high90.6Very high52 Ų5250 Ų5024%0.24127%0.269CS..G310 helixtrans-64.8-15.4174.657.8-111.2000113.1V224 A225 E300 F304 R305V224-H302 HydrophobicContact CG1-CB 4.13Å; V224-H302 VanDerWaalsContact CG1-CD2 3.5Å; V224-H302 WeakPolarHBondContact CG1-CD2 3.2Å; A225-H302 PolarHBondContact O-NE2 3.39Å; A225-H302 VanDerWaalsContact O-NE2 3.11Å; E300-H302 VanDerWaalsContact CB-CE1 3.44Å; E300-H302 WeakPolarHBondContact CB-CE1 3.41Å; E300-H302 PolarHBondContact O-N 2.86Å; H302-F304 PolarHBondContact O-N 3.32Å; H302-R305 VanDerWaalsContact O-CB 3.27Å; H302-R305 WeakPolarHBondContact O-CB 3.49Å; H302-R305 WeakPolarHBondContact O-CG 3.47Å; H302-R305 PolarHBondContact O-N 3.45Å
303H93.4Very high90.6Very high0 Ų051 Ų510%026%0.26CS..G310 helixtrans-60.6-28.5170.2-7282.7000112.3H227 L228 I298 E300 L301 R305 I306H227-H303 AromaticContact CD2-CE1 3.66Å; H227-H303 PolarHBondContact N-NE2 3.49Å; H227-H303 AromaticContact NE2-CE1 3.66Å; L228-H303 WeakPolarHBondContact CB-NE2 3.47Å; L228-H303 PolarHBondContact N-NE2 3Å; I298-H303 HydrophobicContact CG2-CB 4.18Å; E300-H303 WeakPolarHBondContact CB-ND1 3.42Å; E300-H303 PolarHBondContact O-N 2.92Å; E300-H303 PolarHBondContact O-ND1 3.15Å; L301-H303 PolarHBondContact O-N 3.16Å; H303-R305 PolarHBondContact O-N 2.86Å; H303-I306 WeakPolarHBondContact O-CG1 3.36Å; H303-I306 WeakPolarHBondContact O-CG2 3.47Å; H303-I306 PolarHBondContact O-N 3.21Å
304F93.9Very high90.5Very high0 Ų051.8 Ų51.80%026%0.259CS..G310 helixtrans-69.1-10175.3-61.8-65000113.3F264 F277 L287 I298 L301 H302 I306 L307 Y312 Y315F264-F304 HydrophobicContact CZ-CD1 4.37Å; F264-F304 HydrophobicContact CZ-CE1 4.19Å; F277-F304 HydrophobicContact CE1-CE1 4.12Å; F277-F304 HydrophobicContact CE1-CZ 4.18Å; F277-F304 HydrophobicContact CZ-CE1 4.5Å; L287-F304 HydrophobicContact CB-CE1 4.4Å; L287-F304 HydrophobicContact CB-CZ 4.24Å; L287-F304 HydrophobicContact CD1-CE1 4.21Å; L287-F304 HydrophobicContact CG-CE1 4.44Å; I298-F304 HydrophobicContact CB-CZ 4.43Å; I298-F304 HydrophobicContact CD1-CE1 4.29Å; I298-F304 HydrophobicContact CD1-CZ 4.08Å; L301-F304 HydrophobicContact CB-CD2 4.43Å; L301-F304 HydrophobicContact CD2-CD2 4.48Å; L301-F304 HydrophobicContact CD2-CE2 4.05Å; L301-F304 WeakPolarHBondContact O-CD2 3.43Å; L301-F304 PolarHBondContact O-N 2.9Å; L301-F304 VanDerWaalsContact O-N 3.08Å; H302-F304 PolarHBondContact O-N 3.32Å; F304-I306 PolarHBondContact O-N 3.38Å; F304-L307 HydrophobicContact CB-CD1 4.41Å; F304-L307 HydrophobicContact CD1-CD1 4.42Å; F304-L307 WeakPolarHBondContact O-CB 3.48Å; F304-L307 WeakPolarHBondContact O-CG 3.46Å; F304-L307 PolarHBondContact O-N 3.11Å; F304-Y312 VanDerWaalsContact C-CD2 3.42Å; F304-Y312 HydrophobicContact CB-CD2 3.99Å; F304-Y312 HydrophobicContact CB-CE2 4.1Å; F304-Y312 WeakPolarHBondContact O-CD2 3.41Å; F304-Y315 HydrophobicContact CB-CD1 3.98Å; F304-Y315 HydrophobicContact CB-CE1 4.07Å; F304-Y315 HydrophobicContact CB-CG 4.4Å; F304-Y315 HydrophobicContact CD2-CD1 4.47Å; F304-Y315 AromaticContact CD2-CE1 3.84Å; F304-Y315 HydrophobicContact CD2-CE1 3.84Å; F304-Y315 HydrophobicContact CD2-CE2 4.01Å; F304-Y315 AromaticContact CD2-CZ 3.58Å; F304-Y315 HydrophobicContact CE2-CE2 4.26Å; F304-Y315 HydrophobicContact CG-CD1 4.43Å; F304-Y315 HydrophobicContact CG-CE1 4.24Å; F304-Y315 HydrophobicContact CG-CE2 4.46Å
305R92Very high90.5Very high92 Ų9247.5 Ų47.535%0.34723%0.229SC..G310 helixtrans-65.3-23172.1-66.5-176.9178.3-84.5-1.9112.6Y149 H302 H303 L307 G308 Y312Y149-R305 HydrophobicContact CD1-CB 3.91Å; Y149-R305 HydrophobicContact CD2-CB 4.13Å; Y149-R305 HydrophobicContact CE1-CB 4.06Å; Y149-R305 HydrophobicContact CE2-CB 4.28Å; Y149-R305 WeakPolarHBondContact CE2-O 3.32Å; Y149-R305 HydrophobicContact CG-CB 3.94Å; H302-R305 VanDerWaalsContact O-CB 3.27Å; H302-R305 WeakPolarHBondContact O-CB 3.49Å; H302-R305 WeakPolarHBondContact O-CG 3.47Å; H302-R305 PolarHBondContact O-N 3.45Å; H303-R305 PolarHBondContact O-N 2.86Å; R305-L307 PolarHBondContact O-N 3.3Å; R305-L307 VanDerWaalsContact O-N 3.11Å; R305-G308 PolarHBondContact O-N 2.84Å; R305-Y312 HydrophobicContact CB-CD2 4.4Å; R305-Y312 HydrophobicContact CG-CD1 4.09Å; R305-Y312 HydrophobicContact CG-CD2 3.85Å; R305-Y312 HydrophobicContact CG-CE1 3.83Å; R305-Y312 HydrophobicContact CG-CE2 3.57Å; R305-Y312 HydrophobicContact CG-CG 4.08Å; R305-Y312 VanDerWaalsContact CZ-CE1 3.43Å; R305-Y312 VanDerWaalsContact NH1-CE1 3.3Å; R305-Y312 PolarHBondContact NH2-OH 3.24Å
306I91.8Very high90.5Very high25 Ų2545 Ų4513%0.12821%0.212CC..G310 helixtrans-67.1-11.9179.578.5-169.6000113.4Y149 V157 L226 I229 L261 F264 H303 F304 G308Y149-I306 HydrophobicContact CD2-CG2 4.38Å; V157-I306 HydrophobicContact CG2-CB 3.68Å; V157-I306 HydrophobicContact CG2-CG2 3.33Å; L226-I306 HydrophobicContact CD1-CG2 3.55Å; L226-I306 HydrophobicContact CD2-CG2 4.4Å; I229-I306 HydrophobicContact CD1-CD1 4.25Å; I229-I306 HydrophobicContact CD1-CG2 4.34Å; L261-I306 HydrophobicContact CD2-CD1 4.24Å; F264-I306 HydrophobicContact CD1-CD1 3.54Å; F264-I306 HydrophobicContact CD1-CG1 4.06Å; F264-I306 HydrophobicContact CE1-CD1 3.52Å; F264-I306 HydrophobicContact CE1-CG1 3.93Å; H303-I306 WeakPolarHBondContact O-CG1 3.36Å; H303-I306 WeakPolarHBondContact O-CG2 3.47Å; H303-I306 PolarHBondContact O-N 3.21Å; F304-I306 PolarHBondContact O-N 3.38Å; I306-G308 PolarHBondContact O-N 2.86Å
307L89.4Confident90.1Very high8 Ų849.4 Ų49.44%0.04223%0.233CC..G310 helixtrans-69.5-13.3172.5-51.7-179.3000112.5F264 H265 C268 L272 F304 R305 Q311F264-L307 HydrophobicContact CE1-CD2 4.39Å; H265-L307 HydrophobicContact CB-CD2 3.53Å; C268-L307 HydrophobicContact CB-CD1 3.71Å; C268-L307 HydrophobicContact CB-CD2 3.53Å; C268-L307 HydrophobicContact CB-CG 4.26Å; L272-L307 HydrophobicContact CD1-CD1 4.5Å; F304-L307 HydrophobicContact CB-CD1 4.41Å; F304-L307 HydrophobicContact CD1-CD1 4.42Å; F304-L307 WeakPolarHBondContact O-CB 3.48Å; F304-L307 WeakPolarHBondContact O-CG 3.46Å; F304-L307 PolarHBondContact O-N 3.11Å; R305-L307 PolarHBondContact O-N 3.3Å; R305-L307 VanDerWaalsContact O-N 3.11Å; L307-Q311 HydrophobicContact CB-CB 3.64Å; L307-Q311 HydrophobicContact CD1-CB 4.42Å
308G88.4Confident89.8Confident20 Ų2047.9 Ų47.921%0.20622%0.224CC..  trans89.7166.9-171.500000112.1R305 I306 E310 Y312R305-G308 PolarHBondContact O-N 2.84Å; I306-G308 PolarHBondContact O-N 2.86Å; G308-E310 PolarHBondContact O-N 3.28Å; G308-Y312 WeakPolarHBondContact O-CB 3.35Å; G308-Y312 PolarHBondContact O-N 3.43Å
309E87.4Confident89.2Confident96 Ų9649.1 Ų49.145%0.44924%0.238SC..Hα-helixtrans-62.1-45.1-171.4-66.7-179.7-177.400112.7Q155 Q311 Y312 N313Q155-E309 PolarHBondContact NE2-OE1 2.82Å; E309-Q311 PolarHBondContact O-N 2.9Å; E309-Y312 PolarHBondContact O-N 2.93Å; E309-N313 WeakPolarHBondContact O-CB 3.23Å; E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 PolarHBondContact O-ND2 3.04Å; E309-N313 PolarHBondContact O-OD1 3.04Å
310E86.3Confident88.7Confident103 Ų10346.4 Ų46.448%0.48124%0.239SC..Hα-helixtrans-58.2-52.4-179.5-172.8-166.2174.700112N8 G308 N313 R314N8-E310 PolarHBondContact ND2-OE1 3.33Å; G308-E310 PolarHBondContact O-N 3.28Å; E310-N313 PolarHBondContact O-N 3.23Å; E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.37Å
311Q88.7Confident88.5Confident7 Ų744.9 Ų44.93%0.03323%0.232CC..Hα-helixtrans-73.6-33.6-176.8-57.6-57.3-3700111.9N8 V269 L307 E309 R314 Y315N8-Q311 PolarHBondContact ND2-NE2 3.46Å; N8-Q311 PolarHBondContact OD1-NE2 3.35Å; N8-Q311 VanDerWaalsContact OD1-NE2 3.13Å; V269-Q311 HydrophobicContact CG2-CG 4.08Å; L307-Q311 HydrophobicContact CB-CB 3.64Å; L307-Q311 HydrophobicContact CD1-CB 4.42Å; E309-Q311 PolarHBondContact O-N 2.9Å; Q311-R314 PolarHBondContact O-N 3.17Å; Q311-Y315 PolarHBondContact O-N 3.47Å
312Y91.1Very high88.2Confident22 Ų2244.3 Ų44.39%0.08623%0.228CC..Hα-helixtrans-67.2-38.6174.5-175.6-108.8000111.8F304 R305 G308 E309 R314 Y315 Q316F304-Y312 VanDerWaalsContact C-CD2 3.42Å; F304-Y312 HydrophobicContact CB-CD2 3.99Å; F304-Y312 HydrophobicContact CB-CE2 4.1Å; F304-Y312 WeakPolarHBondContact O-CD2 3.41Å; R305-Y312 HydrophobicContact CB-CD2 4.4Å; R305-Y312 HydrophobicContact CG-CD1 4.09Å; R305-Y312 HydrophobicContact CG-CD2 3.85Å; R305-Y312 HydrophobicContact CG-CE1 3.83Å; R305-Y312 HydrophobicContact CG-CE2 3.57Å; R305-Y312 HydrophobicContact CG-CG 4.08Å; R305-Y312 VanDerWaalsContact CZ-CE1 3.43Å; R305-Y312 VanDerWaalsContact NH1-CE1 3.3Å; R305-Y312 PolarHBondContact NH2-OH 3.24Å; G308-Y312 WeakPolarHBondContact O-CB 3.35Å; G308-Y312 PolarHBondContact O-N 3.43Å; E309-Y312 PolarHBondContact O-N 2.93Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 3.05Å; Y312-Y315 AromaticContact CD2-CD1 3.9Å; Y312-Y315 HydrophobicContact CD2-CD1 3.9Å; Y312-Y315 AromaticContact CE2-CD1 3.78Å; Y312-Y315 HydrophobicContact CE2-CD1 3.78Å; Y312-Y315 HydrophobicContact CE2-CE1 4.08Å; Y312-Y315 WeakPolarHBondContact O-CB 3.44Å; Y312-Y315 PolarHBondContact O-N 3.43Å; Y312-Q316 HydrophobicContact CD1-CG 4.16Å; Y312-Q316 VanDerWaalsContact CE1-CD 3.4Å; Y312-Q316 HydrophobicContact CE1-CG 3.79Å; Y312-Q316 WeakPolarHBondContact O-CG 3.45Å; Y312-Q316 PolarHBondContact O-N 3.47Å
313N88.4Confident87.8Confident80 Ų8044.4 Ų44.443%0.42823%0.234SC..Hα-helixtrans-62.5-41.5175.6-70.1-17.5000111.4E309 E310 Y315 Q316 Q317E309-N313 WeakPolarHBondContact O-CB 3.23Å; E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 PolarHBondContact O-ND2 3.04Å; E309-N313 PolarHBondContact O-OD1 3.04Å; E310-N313 PolarHBondContact O-N 3.23Å; N313-Y315 VanDerWaalsContact C-N 3.34Å; N313-Y315 PolarHBondContact O-N 3.48Å; N313-Q316 PolarHBondContact O-N 3.47Å; N313-Q317 WeakPolarHBondContact O-CG 3.46Å; N313-Q317 PolarHBondContact O-N 3.43Å; N313-Q317 VanDerWaalsContact O-N 3.07Å
314R86.8Confident87.4Confident41 Ų4145.5 Ų45.516%0.15524%0.241CC..Hα-helixtrans-59.2-44.3172.2-68.3175.764.8-149.80.7111.8N8 N273 E310 Q311 Y312 Q316 Q317 Y318N8-R314 VanDerWaalsContact C-CZ 3.48Å; N8-R314 VanDerWaalsContact C-NH2 3.3Å; N8-R314 PolarHBondContact O-NE 2.9Å; N8-R314 PolarHBondContact O-NH2 3.2Å; N273-R314 PolarHBondContact OD1-NH1 3.19Å; N273-R314 PolarHBondContact OD1-NH2 3.32Å; E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.37Å; Q311-R314 PolarHBondContact O-N 3.17Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 3.05Å; R314-Q316 VanDerWaalsContact C-N 3.34Å; R314-Q316 PolarHBondContact O-N 2.84Å; R314-Q317 PolarHBondContact O-N 3.46Å; R314-Y318 PolarHBondContact O-N 2.89Å; R314-Y318 VanDerWaalsContact O-N 3.13Å
315Y89.9Confident87Confident19 Ų1948.5 Ų48.58%0.07526%0.256CS..Hα-helixtrans-60.8-40174.6165-103.9000112.6L272 F277 Y285 L301 F304 Q311 Y312 N313 Q317 Y318L272-Y315 HydrophobicContact CD2-CD2 4.47Å; F277-Y315 AromaticContact CD1-CD2 3.99Å; F277-Y315 HydrophobicContact CD1-CD2 3.99Å; F277-Y315 AromaticContact CD1-CE2 3.82Å; F277-Y315 HydrophobicContact CD1-CE2 3.82Å; F277-Y315 AromaticContact CE1-CD2 3.46Å; F277-Y315 HydrophobicContact CE1-CD2 3.46Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.46Å; F277-Y315 AromaticContact CE1-CE2 3.53Å; F277-Y315 HydrophobicContact CE1-CE2 3.53Å; F277-Y315 HydrophobicContact CZ-CD2 4.05Å; Y285-Y315 WeakPolarHBondContact O-CE2 3.47Å; Y285-Y315 PolarHBondContact O-OH 3.42Å; L301-Y315 WeakPolarHBondContact CD2-OH 3.14Å; F304-Y315 HydrophobicContact CB-CD1 3.98Å; F304-Y315 HydrophobicContact CB-CE1 4.07Å; F304-Y315 HydrophobicContact CB-CG 4.4Å; F304-Y315 HydrophobicContact CD2-CD1 4.47Å; F304-Y315 AromaticContact CD2-CE1 3.84Å; F304-Y315 HydrophobicContact CD2-CE1 3.84Å; F304-Y315 HydrophobicContact CD2-CE2 4.01Å; F304-Y315 AromaticContact CD2-CZ 3.58Å; F304-Y315 HydrophobicContact CE2-CE2 4.26Å; F304-Y315 HydrophobicContact CG-CD1 4.43Å; F304-Y315 HydrophobicContact CG-CE1 4.24Å; F304-Y315 HydrophobicContact CG-CE2 4.46Å; Q311-Y315 PolarHBondContact O-N 3.47Å; Y312-Y315 AromaticContact CD2-CD1 3.9Å; Y312-Y315 HydrophobicContact CD2-CD1 3.9Å; Y312-Y315 AromaticContact CE2-CD1 3.78Å; Y312-Y315 HydrophobicContact CE2-CD1 3.78Å; Y312-Y315 HydrophobicContact CE2-CE1 4.08Å; Y312-Y315 WeakPolarHBondContact O-CB 3.44Å; Y312-Y315 PolarHBondContact O-N 3.43Å; N313-Y315 VanDerWaalsContact C-N 3.34Å; N313-Y315 PolarHBondContact O-N 3.48Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 3.14Å; Y315-Y318 WeakPolarHBondContact O-CB 3.02Å; Y315-Y318 PolarHBondContact O-N 3.48Å
316Q88.4Confident86.6Confident108 Ų10851.2 Ų51.251%0.50527%0.273SS..Hα-helixtrans-65.2-33.2176.8-69.6-173-68.400112.8Y312 N313 R314 Y318Y312-Q316 HydrophobicContact CD1-CG 4.16Å; Y312-Q316 VanDerWaalsContact CE1-CD 3.4Å; Y312-Q316 HydrophobicContact CE1-CG 3.79Å; Y312-Q316 WeakPolarHBondContact O-CG 3.45Å; Y312-Q316 PolarHBondContact O-N 3.47Å; N313-Q316 PolarHBondContact O-N 3.47Å; R314-Q316 VanDerWaalsContact C-N 3.34Å; R314-Q316 PolarHBondContact O-N 2.84Å; Q316-Y318 VanDerWaalsContact C-N 3.32Å
317Q85.4Confident86.3Confident96 Ų9656 Ų5645%0.44930%0.296SS..Hα-helixtrans-77-19.4177.3-69.8175.3-12.600113N313 R314 Y315 G319 A320 E321N313-Q317 WeakPolarHBondContact O-CG 3.46Å; N313-Q317 PolarHBondContact O-N 3.43Å; N313-Q317 VanDerWaalsContact O-N 3.07Å; R314-Q317 PolarHBondContact O-N 3.46Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 3.14Å; Q317-G319 VanDerWaalsContact C-N 3.3Å; Q317-G319 PolarHBondContact O-N 3.41Å; Q317-G319 VanDerWaalsContact O-N 3.16Å; Q317-A320 WeakPolarHBondContact O-CB 3.19Å; Q317-A320 PolarHBondContact O-N 2.92Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.97Å
318Y86.8Confident86Confident4 Ų457.7 Ų57.72%0.01632%0.315CS..Hα-helixtrans-50.8-44.2-175.3-165.5-83.8000113.8L272 R275 F277 Y285 R314 Y315 Q316 A320 E321 E322L272-Y318 HydrophobicContact CD2-CD2 3.84Å; L272-Y318 HydrophobicContact CD2-CE2 4.38Å; R275-Y318 WeakPolarHBondContact CA-OH 3.44Å; R275-Y318 HydrophobicContact CB-CE2 4.39Å; R275-Y318 WeakPolarHBondContact CB-OH 3.39Å; R275-Y318 PolarHBondContact O-OH 2.78Å; F277-Y318 HydrophobicContact CB-CD1 4.31Å; F277-Y318 HydrophobicContact CB-CE1 3.72Å; F277-Y318 HydrophobicContact CB-CE2 4.3Å; F277-Y318 HydrophobicContact CD2-CE2 4.14Å; F277-Y318 HydrophobicContact CG-CE2 4.44Å; F277-Y318 PolarHBondContact N-OH 3.11Å; Y285-Y318 AromaticContact CD1-CD1 3.65Å; Y285-Y318 HydrophobicContact CD1-CD1 3.65Å; Y285-Y318 AromaticContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD2-CD1 4.2Å; Y285-Y318 AromaticContact CE1-CD1 3.95Å; Y285-Y318 HydrophobicContact CE1-CD1 3.95Å; Y285-Y318 AromaticContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE2-CD1 4.49Å; Y285-Y318 AromaticContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CE1 4.14Å; R314-Y318 PolarHBondContact O-N 2.89Å; R314-Y318 VanDerWaalsContact O-N 3.13Å; Y315-Y318 WeakPolarHBondContact O-CB 3.02Å; Y315-Y318 PolarHBondContact O-N 3.48Å; Q316-Y318 VanDerWaalsContact C-N 3.32Å; Y318-A320 VanDerWaalsContact C-N 3.34Å; Y318-A320 PolarHBondContact O-N 3.3Å; Y318-E321 PolarHBondContact O-N 3.41Å; Y318-E322 HydrophobicContact CD1-CG 3.79Å; Y318-E322 HydrophobicContact CE1-CG 3.39Å; Y318-E322 PolarHBondContact O-N 2.93Å
319G82.3Confident85.9Confident30 Ų3057.2 Ų57.231%0.30931%0.31SS..Hα-helixtrans-65.7-35.3-179.900000113.6Y285 Q317 C323Y285-G319 VanDerWaalsContact CE2-CA 3.49Å; Q317-G319 VanDerWaalsContact C-N 3.3Å; Q317-G319 PolarHBondContact O-N 3.41Å; Q317-G319 VanDerWaalsContact O-N 3.16Å; G319-C323 WeakPolarHBondContact O-CB 3.49Å; G319-C323 PolarHBondContact O-N 3.19Å
320A81.6Confident85.9Confident67 Ų6753.2 Ų53.255%0.55429%0.293SS*.Hα-helixtrans-70.9-40.8174.400000111.1Q317 Y318 C323 V324Q317-A320 WeakPolarHBondContact O-CB 3.19Å; Q317-A320 PolarHBondContact O-N 2.92Å; Y318-A320 VanDerWaalsContact C-N 3.34Å; Y318-A320 PolarHBondContact O-N 3.3Å; A320-C323 WeakPolarHBondContact O-CB 3.06Å; A320-C323 PolarHBondContact O-N 3.05Å; A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 2.9Å; A320-V324 VanDerWaalsContact O-N 3.11Å
321E85.2Confident85.9Confident25 Ų2548.9 Ų48.912%0.11727%0.273CS..Hα-helixtrans-61.9-44.7176.5-65.9174.5-167.700112.2R275 Q317 Y318 C323 V324 L325 L331R275-E321 IonicContact CZ-OE2 2.82Å; R275-E321 IonicContact NH1-OE2 2.62Å; R275-E321 PolarHBondContact NH1-OE2 2.98Å; R275-E321 VanDerWaalsContact NH2-CB 3.28Å; R275-E321 IonicContact NH2-OE2 2.89Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.97Å; Y318-E321 PolarHBondContact O-N 3.41Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 2.99Å; E321-V324 PolarHBondContact O-N 2.98Å; E321-L325 WeakPolarHBondContact O-CG 3.44Å; E321-L325 PolarHBondContact O-N 2.87Å; E321-L331 HydrophobicContact CB-CD1 4.05Å; E321-L331 HydrophobicContact CB-CD2 3.88Å; E321-L331 HydrophobicContact CG-CD1 4.31Å; E321-L331 HydrophobicContact CG-CD2 4.03Å
322E85.1Confident85.8Confident36 Ų3648.7 Ų48.717%0.16827%0.272CS..Hα-helixtrans-63.7-38.7176.6-77.1-61.1123.800112.3R275 Y285 Y318 V324 L325 Q326R275-E322 IonicContact CZ-OE1 3.23Å; R275-E322 IonicContact NE-OE1 3.99Å; R275-E322 PolarHBondContact NE-OE1 2.85Å; R275-E322 IonicContact NH2-OE1 3.98Å; R275-E322 PolarHBondContact NH2-OE1 3Å; Y285-E322 HydrophobicContact CE1-CB 4.47Å; Y285-E322 HydrophobicContact CE1-CG 3.99Å; Y285-E322 VanDerWaalsContact OH-CB 3.26Å; Y285-E322 WeakPolarHBondContact OH-CB 3.22Å; Y318-E322 HydrophobicContact CD1-CG 3.79Å; Y318-E322 HydrophobicContact CE1-CG 3.39Å; Y318-E322 PolarHBondContact O-N 2.93Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 3.42Å; E322-Q326 VanDerWaalsContact O-CG 3.32Å; E322-Q326 WeakPolarHBondContact O-CG 3.44Å; E322-Q326 PolarHBondContact O-N 2.86Å
323C81.8Confident85.4Confident54 Ų5448.2 Ų48.237%0.36527%0.271SS..Hα-helixtrans-59.4-44174.6-172.60000111.4G319 A320 E321 L325 Q326 M327G319-C323 WeakPolarHBondContact O-CB 3.49Å; G319-C323 PolarHBondContact O-N 3.19Å; A320-C323 WeakPolarHBondContact O-CB 3.06Å; A320-C323 PolarHBondContact O-N 3.05Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 2.99Å; C323-L325 PolarHBondContact O-N 3.45Å; C323-Q326 PolarHBondContact O-N 2.95Å; C323-M327 WeakPolarHBondContact O-CG 3.4Å; C323-M327 PolarHBondContact O-N 3.12Å; C323-M327 VanDerWaalsContact O-N 3.16Å; C323-M327 VanDerWaalsContact SG-CE 3.55Å
324V85Confident85.1Confident23 Ų2349.4 Ų49.414%0.13927%0.27CS..Hα-helixtrans-63.1-42.5176.4170.10000111.7A320 E321 E322 M327 G328 G329 L342A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 2.9Å; A320-V324 VanDerWaalsContact O-N 3.11Å; E321-V324 PolarHBondContact O-N 2.98Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.49Å; V324-M327 PolarHBondContact O-N 3.26Å; V324-G328 PolarHBondContact O-N 3.28Å; V324-G329 WeakPolarHBondContact O-CA 3.49Å; V324-G329 PolarHBondContact O-N 3.45Å; V324-L342 HydrophobicContact CG1-CD2 4Å; V324-L342 HydrophobicContact CG1-CG 4.31Å
325L85.3Confident84.4Confident62 Ų6250.1 Ų50.133%0.32528%0.28SS..Hα-helixtrans-65.3-39.4177.3-69.8177.1000112.3R275 E321 E322 C323 M327 G328 L331R275-L325 VanDerWaalsContact CZ-CD1 3.48Å; E321-L325 WeakPolarHBondContact O-CG 3.44Å; E321-L325 PolarHBondContact O-N 2.87Å; E322-L325 PolarHBondContact O-N 3.42Å; C323-L325 PolarHBondContact O-N 3.45Å; L325-M327 PolarHBondContact O-N 2.87Å; L325-G328 PolarHBondContact O-N 2.73Å; L325-L331 HydrophobicContact CD1-CD1 4.19Å; L325-L331 HydrophobicContact CD2-CG 4.17Å; L325-L331 HydrophobicContact CG-CD1 4.49Å; L325-L331 HydrophobicContact CG-CG 4.37Å
326Q84.6Confident83.5Confident149 Ų14952.7 Ų52.770%0.69631%0.312SS*.Hα-helixtrans-63.1-29.2175.3-73.7175.49.300112.5E322 C323 G328E322-Q326 VanDerWaalsContact O-CG 3.32Å; E322-Q326 WeakPolarHBondContact O-CG 3.44Å; E322-Q326 PolarHBondContact O-N 2.86Å; C323-Q326 PolarHBondContact O-N 2.95Å; Q326-G328 PolarHBondContact O-N 3.23Å
327M83.9Confident83Confident127 Ų12748.9 Ų48.963%0.62630%0.297SS*.THydrogen-bonded Turntrans-79.91.9173.2-66.1176.6-175.100113.6C323 V324 L325 L342C323-M327 WeakPolarHBondContact O-CG 3.4Å; C323-M327 PolarHBondContact O-N 3.12Å; C323-M327 VanDerWaalsContact O-N 3.16Å; C323-M327 VanDerWaalsContact SG-CE 3.55Å; V324-M327 PolarHBondContact O-N 3.26Å; L325-M327 PolarHBondContact O-N 2.87Å; M327-L342 HydrophobicContact CB-CD2 3.85Å; M327-L342 HydrophobicContact SD-CD1 4.42Å
328G84.2Confident82.6Confident42 Ų4245.3 Ų45.343%0.43329%0.286SS..THydrogen-bonded Turntrans82.513.7-177.500000114.5V324 L325 Q326 R366V324-G328 PolarHBondContact O-N 3.28Å; L325-G328 PolarHBondContact O-N 2.73Å; Q326-G328 PolarHBondContact O-N 3.23Å; G328-R366 PolarHBondContact O-NH2 2.98Å; G328-R366 VanDerWaalsContact O-NH2 3.16Å
329G86.4Confident82.4Confident11 Ų1146.3 Ų46.311%0.11330%0.295CS..  trans-74.7-178.4174.300000114V324 L341V324-G329 WeakPolarHBondContact O-CA 3.49Å; V324-G329 PolarHBondContact O-N 3.45Å; G329-L341 CarbonylContact C-O 3.57Å; G329-L341 WeakPolarHBondContact CA-O 3.36Å
330V87.1Confident82.5Confident12 Ų1246.8 Ų46.87%0.07330%0.3CS..EExtended strand (participates in β ladder)trans-134.8150.3179.7670000110.3L341 P343 V350 F364V330-L341 HydrophobicContact CG1-CB 4.21Å; V330-L341 PolarHBondContact N-O 2.71Å; V330-L341 WeakPolarHBondContact O-CA 3.32Å; V330-L341 WeakPolarHBondContact O-CB 3.37Å; V330-L341 PolarHBondContact O-N 3.07Å; V330-P343 HydrophobicContact CG1-CG 3.97Å; V330-V350 HydrophobicContact CG1-CG1 3.91Å; V330-V350 HydrophobicContact CG1-CG2 4.22Å; V330-F364 HydrophobicContact CG1-CE2 4.3Å; V330-F364 HydrophobicContact CG1-CZ 4.08Å; V330-F364 HydrophobicContact CG2-CE2 4.08Å; V330-F364 HydrophobicContact CG2-CZ 4.44Å
331L86.8Confident82.7Confident12 Ų1244.9 Ų44.96%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-96.5147.8176.6-55.4179000110.8R275 E321 L325 P333R275-L331 VanDerWaalsContact CZ-CD1 3.47Å; E321-L331 HydrophobicContact CB-CD1 4.05Å; E321-L331 HydrophobicContact CB-CD2 3.88Å; E321-L331 HydrophobicContact CG-CD1 4.31Å; E321-L331 HydrophobicContact CG-CD2 4.03Å; L325-L331 HydrophobicContact CD1-CD1 4.19Å; L325-L331 HydrophobicContact CD2-CG 4.17Å; L325-L331 HydrophobicContact CG-CD1 4.49Å; L325-L331 HydrophobicContact CG-CG 4.37Å; L331-P333 WeakPolarHBondContact O-CD 3.36Å
332C85.8Confident82.8Confident2 Ų248.9 Ų48.91%0.01430%0.302CS..  trans-62.6124.7173.2-172.70000110.8R334 C337 A339 L341 C360C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 3.35Å; C332-C337 HydrophobicContact CB-CB 4.37Å; C332-A339 HydrophobicContact CB-CB 4.47Å; C332-A339 PolarHBondContact N-O 2.65Å; C332-L341 HydrophobicContact CB-CD1 4.21Å; C332-C360 PolarHBondContact SG-SG 2.9Å
333P83.4Confident82.8Confident12 Ų1248.4 Ų48.48%0.07830%0.302CS..  trans-75.5-14.1-178.829.1-34.4000113.4S9 H11 L331 F362 F364 K369S9-P333 PolarHBondContact OG-O 3.18Å; H11-P333 HydrophobicContact CB-CB 4.19Å; L331-P333 WeakPolarHBondContact O-CD 3.36Å; P333-F362 HydrophobicContact CG-CD1 4.42Å; P333-F362 HydrophobicContact CG-CE1 4.22Å; P333-F364 HydrophobicContact CG-CB 4.17Å; P333-F364 HydrophobicContact CG-CD1 4.22Å; P333-F364 HydrophobicContact CG-CD2 3.86Å; P333-F364 HydrophobicContact CG-CE2 4.26Å; P333-F364 HydrophobicContact CG-CG 3.84Å; P333-K369 HydrophobicContact CB-CB 4.05Å; P333-K369 WeakPolarHBondContact CB-O 3.26Å; P333-K369 HydrophobicContact CG-CB 4.32Å; P333-K369 WeakPolarHBondContact CG-O 3.44Å
334R80.7Confident82.9Confident106 Ų10652.4 Ų52.440%0.432%0.315SS..SBendtrans-64.1127.8-177.5-174.4172.9-76.7-172.1-5.7110.4C332 G336 C337 C360C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 3.35Å; R334-G336 PolarHBondContact O-N 3.16Å; R334-C337 HydrophobicContact CB-CB 4.39Å; R334-C337 PolarHBondContact O-N 3.44Å; R334-C360 PolarHBondContact NH1-O 3.5Å; R334-C360 VanDerWaalsContact NH1-O 3.13Å
335P71.9Confident82.7Confident56 Ų5655.8 Ų55.836%0.36434%0.338SS..THydrogen-bonded Turntrans-52.9130.5176.5-25.933.7000111.5C337P335-C337 VanDerWaalsContact C-N 3.34Å; P335-C337 PolarHBondContact O-N 3.26Å
336G71.4Confident82.6Confident73 Ų7360.6 Ų60.675%0.75336%0.364SS*.THydrogen-bonded Turntrans82.2-8.5177.400000116.8R334R334-G336 PolarHBondContact O-N 3.16Å
337C78.7Confident82.7Confident27 Ų2758 Ų5818%0.18235%0.352CS..THydrogen-bonded Turntrans-90.3-59.4175.7-179.30000112.2C332 R334 P335 A339 C360C332-C337 HydrophobicContact CB-CB 4.37Å; R334-C337 HydrophobicContact CB-CB 4.39Å; R334-C337 PolarHBondContact O-N 3.44Å; P335-C337 VanDerWaalsContact C-N 3.34Å; P335-C337 PolarHBondContact O-N 3.26Å; C337-A339 PolarHBondContact O-N 3.23Å; C337-C360 HydrophobicContact CB-CB 4.05Å
338G76.1Confident82.8Confident21 Ų2156 Ų5622%0.21634%0.337CS..  trans59.67.9175.900000116.3G340G338-G340 PolarHBondContact O-N 2.89Å
339A83.5Confident83.1Confident26 Ų2658.6 Ų58.622%0.21534%0.337CS..  trans-58.9132.5-17400000111.9C332 C337C332-A339 HydrophobicContact CB-CB 4.47Å; C332-A339 PolarHBondContact N-O 2.65Å; C337-A339 PolarHBondContact O-N 3.23Å
340G84.6Confident83.2Confident39 Ų3958.3 Ų58.340%0.40233%0.332SS..EExtended strand (participates in β ladder)trans-77.3121.7174.300000111.6G338G338-G340 PolarHBondContact O-N 2.89Å
341L86.2Confident83.3Confident27 Ų2760.3 Ų60.314%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-117137-175-60.8149.6000109.3G329 V330 C332 P343 V350 C352 F364G329-L341 CarbonylContact C-O 3.57Å; G329-L341 WeakPolarHBondContact CA-O 3.36Å; V330-L341 HydrophobicContact CG1-CB 4.21Å; V330-L341 PolarHBondContact N-O 2.71Å; V330-L341 WeakPolarHBondContact O-CA 3.32Å; V330-L341 WeakPolarHBondContact O-CB 3.37Å; V330-L341 PolarHBondContact O-N 3.07Å; C332-L341 HydrophobicContact CB-CD1 4.21Å; L341-P343 WeakPolarHBondContact O-CD 3.17Å; L341-V350 HydrophobicContact CB-CG1 4.33Å; L341-V350 HydrophobicContact CD1-CG1 4.03Å; L341-C352 HydrophobicContact CD1-CB 4.32Å; L341-C352 HydrophobicContact CD2-CB 4.49Å; L341-F364 HydrophobicContact CD1-CE1 3.75Å; L341-F364 HydrophobicContact CD1-CZ 3.78Å
342L85.5Confident83.3Confident109 Ų10959.8 Ų59.857%0.57134%0.342SS*.  trans-114.675.2174.9-67.5169.6000109.2V324 M327V324-L342 HydrophobicContact CG1-CD2 4Å; V324-L342 HydrophobicContact CG1-CG 4.31Å; M327-L342 HydrophobicContact CB-CD2 3.85Å; M327-L342 HydrophobicContact SD-CD1 4.42Å
343P85.3Confident83Confident26 Ų2667.2 Ų67.217%0.16938%0.376CS..  trans-72.9163.6174.133-35.6000110.9V330 L341 V350V330-P343 HydrophobicContact CG1-CG 3.97Å; L341-P343 WeakPolarHBondContact O-CD 3.17Å; P343-V350 HydrophobicContact CB-CG1 4.33Å; P343-V350 HydrophobicContact CB-CG2 4.07Å; P343-V350 HydrophobicContact CG-CG1 4.27Å; P343-V350 HydrophobicContact CG-CG2 3.93Å
344E84.6Confident82Confident138 Ų13868.7 Ų68.765%0.64539%0.394SS*.  trans-58.4144.8171.6-66.4-63.3154.100110.9D346 Q347 R366E344-D346 VanDerWaalsContact C-N 3.27Å; E344-D346 PolarHBondContact O-N 3.23Å; E344-D346 VanDerWaalsContact O-N 3.15Å; E344-Q347 HydrophobicContact CB-CB 4.12Å; E344-Q347 WeakPolarHBondContact O-CB 3.41Å; E344-Q347 PolarHBondContact O-N 3.47Å; E344-R366 PolarHBondContact O-NH1 3Å
345P80.4Confident80.5Confident94 Ų9467 Ų6761%0.6141%0.409SS*.THydrogen-bonded Turntrans-53.8-38.2-173-27.434.5000114.7R366P345-R366 PolarHBondContact O-NH1 3.43Å
346D83.1Confident79.7Confident164 Ų16471.5 Ų71.588%0.87743%0.431SS*.THydrogen-bonded Turntrans-943-176.3-62.8-34.1000113.4E344 R348E344-D346 VanDerWaalsContact C-N 3.27Å; E344-D346 PolarHBondContact O-N 3.23Å; E344-D346 VanDerWaalsContact O-N 3.15Å; D346-R348 PolarHBondContact O-N 2.91Å
347Q87.1Confident78.9Confident94 Ų9471.6 Ų71.644%0.43943%0.432SS..  trans-85.7110-174.9-163.1172.321.900111.7E344 K349E344-Q347 HydrophobicContact CB-CB 4.12Å; E344-Q347 WeakPolarHBondContact O-CB 3.41Å; E344-Q347 PolarHBondContact O-N 3.47Å; Q347-K349 WeakPolarHBondContact CG-O 3.46Å
348R86.9Confident78.1Confident86 Ų8676.9 Ų76.933%0.32546%0.457SS..  trans-75.3-32.9176.9-174.7170.7172.5176.7-11.4113.4D346 C365 R366 H373 G375 C377D346-R348 PolarHBondContact O-N 2.91Å; R348-C365 PolarHBondContact NE-SG 2.91Å; R348-C365 WeakPolarHBondContact O-CA 3.35Å; R348-R366 PolarHBondContact O-N 3.27Å; R348-H373 PolarHBondContact NH2-CE1 2.92Å; R348-G375 VanDerWaalsContact CZ-O 3.27Å; R348-G375 PolarHBondContact NH1-O 2.92Å; R348-G375 PolarHBondContact NH2-O 2.8Å; R348-C377 PolarHBondContact NH2-SG 3.3Å
349K89.8Confident77.7Confident96 Ų9677 Ų7742%0.41746%0.458SS..EExtended strand (participates in β ladder)trans-86.3107.1177.4-172.9174.8179.5-179.50110Q347 Y372Q347-K349 WeakPolarHBondContact CG-O 3.46Å; K349-Y372 HydrophobicContact CB-CD2 3.64Å; K349-Y372 HydrophobicContact CB-CE2 3.35Å; K349-Y372 HydrophobicContact CB-CG 4.45Å; K349-Y372 HydrophobicContact CD-CD1 4.1Å; K349-Y372 HydrophobicContact CD-CD2 4.14Å; K349-Y372 HydrophobicContact CD-CE1 3.98Å; K349-Y372 HydrophobicContact CD-CE2 4.03Å; K349-Y372 HydrophobicContact CD-CG 4.15Å; K349-Y372 HydrophobicContact CG-CD1 4.34Å; K349-Y372 HydrophobicContact CG-CD2 3.54Å; K349-Y372 HydrophobicContact CG-CE1 4.45Å; K349-Y372 HydrophobicContact CG-CE2 3.68Å; K349-Y372 HydrophobicContact CG-CG 3.88Å
350V89.4Confident77.5Confident4 Ų477.4 Ų77.42%0.02446%0.459CS..EExtended strand (participates in β ladder)trans-106.3127.4176.6-174.10000108.6V330 L341 P343 A363 F364 R366V330-V350 HydrophobicContact CG1-CG1 3.91Å; V330-V350 HydrophobicContact CG1-CG2 4.22Å; L341-V350 HydrophobicContact CB-CG1 4.33Å; L341-V350 HydrophobicContact CD1-CG1 4.03Å; P343-V350 HydrophobicContact CB-CG1 4.33Å; P343-V350 HydrophobicContact CB-CG2 4.07Å; P343-V350 HydrophobicContact CG-CG1 4.27Å; P343-V350 HydrophobicContact CG-CG2 3.93Å; V350-A363 CarbonylContact O-C 3.59Å; V350-A363 WeakPolarHBondContact O-CA 3.04Å; V350-F364 HydrophobicContact CB-CD1 4.41Å; V350-F364 HydrophobicContact CB-CD2 4.44Å; V350-F364 HydrophobicContact CB-CE1 3.99Å; V350-F364 HydrophobicContact CB-CE2 4.03Å; V350-F364 HydrophobicContact CB-CZ 3.8Å; V350-F364 HydrophobicContact CG1-CE1 3.78Å; V350-F364 HydrophobicContact CG1-CE2 4.27Å; V350-F364 HydrophobicContact CG1-CZ 3.58Å; V350-F364 PolarHBondContact N-O 3.33Å; V350-F364 WeakPolarHBondContact O-CD1 3.43Å; V350-F364 PolarHBondContact O-N 3.13Å; V350-R366 HydrophobicContact CG2-CB 3.96Å
351T88.4Confident77.5Confident55 Ų5578.2 Ų78.234%0.33747%0.467SS..EExtended strand (participates in β ladder)trans-112.6128.3176.6-52.50000109.2E353 A363T351-E353 VanDerWaalsContact C-N 3.28Å; T351-E353 HydrophobicContact CG2-CG 4.39Å; T351-E353 PolarHBondContact O-N 3.39Å; T351-A363 HydrophobicContact CG2-CB 4.42Å
352C86.8Confident77.5Confident1 Ų179.2 Ų79.21%0.00747%0.47CS..  trans-7783173.2-170.60000109.4L341 G354 G359 C360 G361 F362L341-C352 HydrophobicContact CD1-CB 4.32Å; L341-C352 HydrophobicContact CD2-CB 4.49Å; C352-G354 PolarHBondContact O-N 3.5Å; C352-G359 WeakPolarHBondContact SG-CA 3.39Å; C352-C360 PolarHBondContact SG-N 2.83Å; C352-G361 VanDerWaalsContact O-CA 3.23Å; C352-G361 WeakPolarHBondContact O-CA 3.34Å; C352-G361 PolarHBondContact O-N 3.04Å; C352-F362 PolarHBondContact N-O 3.23Å
353E78.8Confident77.7Confident157 Ų15775.5 Ų75.573%0.73446%0.455SS*.  trans-66.2131.3-174.9-64.8-170.3170.800112T351 G355T351-E353 VanDerWaalsContact C-N 3.28Å; T351-E353 HydrophobicContact CG2-CG 4.39Å; T351-E353 PolarHBondContact O-N 3.39Å; E353-G355 PolarHBondContact O-N 2.85Å
354G63.1Low78Confident43 Ų4374.2 Ų74.244%0.44345%0.447SS..  trans-81.619-176.300000114.7C352 N356 G357C352-G354 PolarHBondContact O-N 3.5Å; G354-N356 PolarHBondContact O-N 3.11Å; G354-G357 PolarHBondContact O-N 2.82Å
355G49.6Very low78.2Confident70 Ų7067.7 Ų67.772%0.72242%0.417SS*.THydrogen-bonded Turntrans-52.8-24.4-164.500000116.1E353E353-G355 PolarHBondContact O-N 2.85Å
356N54.3Low78.4Confident152 Ų15266.1 Ų66.181%0.81340%0.398SS*.THydrogen-bonded Turntrans-126.923.2175.9-69.8-22.9000113.7G354 L358G354-N356 PolarHBondContact O-N 3.11Å; N356-L358 VanDerWaalsContact C-N 3.26Å; N356-L358 PolarHBondContact O-N 3.18Å
357G55.6Low78.5Confident75 Ų7563.2 Ų63.277%0.77338%0.38SS*.SBendtrans74.68-17900000115.7G354G354-G357 PolarHBondContact O-N 2.82Å
358L62Low78.3Confident138 Ų13859.7 Ų59.772%0.72337%0.365SS*.  trans-102-18.2-179.4-75.7153.7000113.8N356N356-L358 VanDerWaalsContact C-N 3.26Å; N356-L358 PolarHBondContact O-N 3.18Å
359G66Low78.2Confident22 Ų2258.5 Ų58.523%0.22736%0.362CS..  trans-89.5144179.200000112.5C352C352-G359 WeakPolarHBondContact SG-CA 3.39Å
360C81.1Confident78Confident36 Ų3657.2 Ų57.224%0.24336%0.358CS..  trans-880-176.968.90000114.8C332 R334 C337 C352 F362C332-C360 PolarHBondContact SG-SG 2.9Å; R334-C360 PolarHBondContact NH1-O 3.5Å; R334-C360 VanDerWaalsContact NH1-O 3.13Å; C337-C360 HydrophobicContact CB-CB 4.05Å; C352-C360 PolarHBondContact SG-N 2.83Å; C360-F362 PolarHBondContact O-N 2.99Å; C360-F362 VanDerWaalsContact SG-CB 3.51Å
361G83.5Confident77.8Confident55 Ų5559.5 Ų59.557%0.56738%0.377SS*.  trans70.87.3-179.500000114.8C352C352-G361 VanDerWaalsContact O-CA 3.23Å; C352-G361 WeakPolarHBondContact O-CA 3.34Å; C352-G361 PolarHBondContact O-N 3.04Å
362F86.8Confident77.8Confident48 Ų4860.4 Ų60.421%0.21138%0.375CS..  trans-80.8129-178.7-171.7-125.5000111.4P333 C352 C360 F364 A371P333-F362 HydrophobicContact CG-CD1 4.42Å; P333-F362 HydrophobicContact CG-CE1 4.22Å; C352-F362 PolarHBondContact N-O 3.23Å; C360-F362 PolarHBondContact O-N 2.99Å; C360-F362 VanDerWaalsContact SG-CB 3.51Å; F362-F364 HydrophobicContact CD1-CB 3.93Å; F362-F364 HydrophobicContact CD1-CD1 4.16Å; F362-F364 HydrophobicContact CD1-CG 4.43Å; F362-F364 HydrophobicContact CE1-CB 3.64Å; F362-F364 HydrophobicContact CE1-CG 4.5Å; F362-F364 HydrophobicContact CZ-CB 4.43Å; F362-A371 HydrophobicContact CE2-CB 4.13Å; F362-A371 HydrophobicContact CZ-CB 3.89Å
363A89.8Confident77.8Confident31 Ų3162.9 Ų62.926%0.25639%0.386SS..EExtended strand (participates in β ladder)trans-97.4125170.500000110.1V350 T351 Y372V350-A363 CarbonylContact O-C 3.59Å; V350-A363 WeakPolarHBondContact O-CA 3.04Å; T351-A363 HydrophobicContact CG2-CB 4.42Å; A363-Y372 PolarHBondContact O-N 3.02Å; A363-Y372 VanDerWaalsContact O-N 3.12Å
364F90.1Very high78Confident0 Ų062.5 Ų62.50%038%0.384CS..EExtended strand (participates in β ladder)trans-135.6161.4-174.965.9-84.1000111.8V330 P333 L341 V350 F362 E370V330-F364 HydrophobicContact CG1-CE2 4.3Å; V330-F364 HydrophobicContact CG1-CZ 4.08Å; V330-F364 HydrophobicContact CG2-CE2 4.08Å; V330-F364 HydrophobicContact CG2-CZ 4.44Å; P333-F364 HydrophobicContact CG-CB 4.17Å; P333-F364 HydrophobicContact CG-CD1 4.22Å; P333-F364 HydrophobicContact CG-CD2 3.86Å; P333-F364 HydrophobicContact CG-CE2 4.26Å; P333-F364 HydrophobicContact CG-CG 3.84Å; L341-F364 HydrophobicContact CD1-CE1 3.75Å; L341-F364 HydrophobicContact CD1-CZ 3.78Å; V350-F364 HydrophobicContact CB-CD1 4.41Å; V350-F364 HydrophobicContact CB-CD2 4.44Å; V350-F364 HydrophobicContact CB-CE1 3.99Å; V350-F364 HydrophobicContact CB-CE2 4.03Å; V350-F364 HydrophobicContact CB-CZ 3.8Å; V350-F364 HydrophobicContact CG1-CE1 3.78Å; V350-F364 HydrophobicContact CG1-CE2 4.27Å; V350-F364 HydrophobicContact CG1-CZ 3.58Å; V350-F364 PolarHBondContact N-O 3.33Å; V350-F364 WeakPolarHBondContact O-CD1 3.43Å; V350-F364 PolarHBondContact O-N 3.13Å; F362-F364 HydrophobicContact CD1-CB 3.93Å; F362-F364 HydrophobicContact CD1-CD1 4.16Å; F362-F364 HydrophobicContact CD1-CG 4.43Å; F362-F364 HydrophobicContact CE1-CB 3.64Å; F362-F364 HydrophobicContact CE1-CG 4.5Å; F362-F364 HydrophobicContact CZ-CB 4.43Å; F364-E370 CarbonylContact C-O 3.53Å; F364-E370 WeakPolarHBondContact CA-O 3.44Å; F364-E370 VanDerWaalsContact CB-O 3.22Å; F364-E370 WeakPolarHBondContact CB-O 3.24Å
365C89.6Confident79.1Confident0 Ų062.8 Ų62.80%039%0.388CS..EExtended strand (participates in β ladder)trans-82.1129.1174.2179.10000110.3R348 E367 C368 K369 E370R348-C365 PolarHBondContact NE-SG 2.91Å; R348-C365 WeakPolarHBondContact O-CA 3.35Å; C365-E367 PolarHBondContact O-N 3.19Å; C365-C368 WeakPolarHBondContact CB-SG 3.5Å; C365-K369 WeakPolarHBondContact O-CA 3.46Å; C365-K369 PolarHBondContact O-N 3.11Å; C365-E370 PolarHBondContact N-O 3.42Å
366R85.6Confident80.7Confident61 Ų6168.3 Ų68.323%0.2340%0.395CS..THydrogen-bonded Turntrans-54.5-37.9177.3-176.2179.6178.3142.76.4113.2G328 E344 P345 R348 V350G328-R366 PolarHBondContact O-NH2 2.98Å; G328-R366 VanDerWaalsContact O-NH2 3.16Å; E344-R366 PolarHBondContact O-NH1 3Å; P345-R366 PolarHBondContact O-NH1 3.43Å; R348-R366 PolarHBondContact O-N 3.27Å; V350-R366 HydrophobicContact CG2-CB 3.96Å
367E84.8Confident82Confident104 Ų10462.6 Ų62.649%0.48637%0.367SS..THydrogen-bonded Turntrans-75.1-69.5-174.2-62.2-56.2129.600110.6C365 K369 F381C365-E367 PolarHBondContact O-N 3.19Å; E367-K369 VanDerWaalsContact C-N 3.34Å; E367-K369 PolarHBondContact O-N 3.16Å; E367-F381 HydrophobicContact CB-CE2 4.23Å; E367-F381 HydrophobicContact CB-CZ 3.73Å; E367-F381 VanDerWaalsContact O-CE1 3.29Å; E367-F381 WeakPolarHBondContact O-CE1 3.44Å; E367-F381 WeakPolarHBondContact O-CZ 3.36Å
368C82.8Confident82.9Confident20 Ų2062.7 Ų62.714%0.13536%0.355CS..THydrogen-bonded Turntrans-83.3-10.2-173.9630000114C365 E370 H373 C377 F381C365-C368 WeakPolarHBondContact CB-SG 3.5Å; C368-E370 PolarHBondContact O-N 3.34Å; C368-E370 VanDerWaalsContact O-N 3.07Å; C368-H373 PolarHBondContact SG-NE2 2.88Å; C368-C377 HydrophobicContact CB-CB 4.18Å; C368-F381 HydrophobicContact CB-CD2 4.16Å; C368-F381 HydrophobicContact CB-CE2 3.6Å; C368-F381 HydrophobicContact CB-CZ 4.07Å
369K84.5Confident82.7Confident60 Ų6060.7 Ų60.726%0.26136%0.358SS..  trans59.112.5-175.8-55178.7-173.4175.70114.9H11 P333 C365 E367H11-K369 HydrophobicContact CB-CD 4.33Å; P333-K369 HydrophobicContact CB-CB 4.05Å; P333-K369 WeakPolarHBondContact CB-O 3.26Å; P333-K369 HydrophobicContact CG-CB 4.32Å; P333-K369 WeakPolarHBondContact CG-O 3.44Å; C365-K369 WeakPolarHBondContact O-CA 3.46Å; C365-K369 PolarHBondContact O-N 3.11Å; E367-K369 VanDerWaalsContact C-N 3.34Å; E367-K369 PolarHBondContact O-N 3.16Å
370E84.6Confident82.4Confident70 Ų7062.5 Ų62.533%0.32736%0.363SS..SBendtrans-86.9174.3171.7-70.3-62.2153.600111.8H11 F364 C365 C368 Y372H11-E370 IonicContact CE1-OE1 3.48Å; F364-E370 CarbonylContact C-O 3.53Å; F364-E370 WeakPolarHBondContact CA-O 3.44Å; F364-E370 VanDerWaalsContact CB-O 3.22Å; F364-E370 WeakPolarHBondContact CB-O 3.24Å; C365-E370 PolarHBondContact N-O 3.42Å; C368-E370 PolarHBondContact O-N 3.34Å; C368-E370 VanDerWaalsContact O-N 3.07Å; E370-Y372 PolarHBondContact O-N 3.38Å
371A86.6Confident81.2Confident52 Ų5264 Ų6443%0.4337%0.365SS..BIsolated β-bridgetrans-49.6138.217400000111.1F362 H373F362-A371 HydrophobicContact CE2-CB 4.13Å; F362-A371 HydrophobicContact CZ-CB 3.89Å; A371-H373 PolarHBondContact O-N 3.46Å
372Y89Confident79.5Confident73 Ų7362.7 Ų62.729%0.28634%0.344SS..  trans-55.7131-175.6178.4-100.4000111.5K349 A363 E370 E374K349-Y372 HydrophobicContact CB-CD2 3.64Å; K349-Y372 HydrophobicContact CB-CE2 3.35Å; K349-Y372 HydrophobicContact CB-CG 4.45Å; K349-Y372 HydrophobicContact CD-CD1 4.1Å; K349-Y372 HydrophobicContact CD-CD2 4.14Å; K349-Y372 HydrophobicContact CD-CE1 3.98Å; K349-Y372 HydrophobicContact CD-CE2 4.03Å; K349-Y372 HydrophobicContact CD-CG 4.15Å; K349-Y372 HydrophobicContact CG-CD1 4.34Å; K349-Y372 HydrophobicContact CG-CD2 3.54Å; K349-Y372 HydrophobicContact CG-CE1 4.45Å; K349-Y372 HydrophobicContact CG-CE2 3.68Å; K349-Y372 HydrophobicContact CG-CG 3.88Å; A363-Y372 PolarHBondContact O-N 3.02Å; A363-Y372 VanDerWaalsContact O-N 3.12Å; E370-Y372 PolarHBondContact O-N 3.38Å; Y372-E374 HydrophobicContact CE1-CG 4.49Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.48Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.24Å; Y372-E374 VanDerWaalsContact OH-CD 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.37Å
373H86.7Confident77.3Confident53 Ų5363.9 Ų63.925%0.24536%0.363CS..  trans-140.3152.6179.16987.4000110R348 C368 A371 E376R348-H373 PolarHBondContact NH2-CE1 2.92Å; C368-H373 PolarHBondContact SG-NE2 2.88Å; A371-H373 PolarHBondContact O-N 3.46Å; H373-E376 PolarHBondContact CE1-O 3.15Å
374E83Confident74.9Confident149 Ų14967.7 Ų67.770%0.69639%0.388SS*.SBendtrans-87.2147.1171.1-63-64.7158.900109.4Y372Y372-E374 HydrophobicContact CE1-CG 4.49Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.48Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.24Å; Y372-E374 VanDerWaalsContact OH-CD 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.37Å
375G84.9Confident72.1Confident50 Ų5070.2 Ų70.252%0.51541%0.414SS..SBendtrans94.2-163.1178.100000115.7R348R348-G375 VanDerWaalsContact CZ-O 3.27Å; R348-G375 PolarHBondContact NH1-O 2.92Å; R348-G375 PolarHBondContact NH2-O 2.8Å
376E82.6Confident69.5Low185 Ų18575.5 Ų75.586%0.86445%0.446SS*.SBendtrans-69.1143.8-178.3-66.9-175.4174.600111.8H373H373-E376 PolarHBondContact CE1-O 3.15Å
377C82.5Confident66.9Low33 Ų3379 Ų7922%0.22348%0.475CS..PPolyproline II helixtrans-66.8144.4171.7-69.10000110.1R348 C368 A379 F381R348-C377 PolarHBondContact NH2-SG 3.3Å; C368-C377 HydrophobicContact CB-CB 4.18Å; C377-A379 PolarHBondContact O-N 3.07Å; C377-F381 HydrophobicContact CB-CD2 3.86Å; C377-F381 HydrophobicContact CB-CE2 3.46Å; C377-F381 VanDerWaalsContact CB-CE2 3.46Å
378S74.7Confident64.8Low77 Ų7777.8 Ų77.854%0.53847%0.474SS..PPolyproline II helixtrans-54.1136.5172.6-176.70000110.3L380S378-L380 PolarHBondContact O-N 3.18Å
379A58.7Low62.9Low95 Ų9583.2 Ų83.279%0.78550%0.498SS*.SBendtrans-61.6-6.6-179.500000113.9C377 F381C377-A379 PolarHBondContact O-N 3.07Å; A379-F381 PolarHBondContact O-N 3.48Å
380L59.1Low61.3Low61 Ų6183.8 Ų83.832%0.31951%0.513SS..  trans-81.147.8174.8-59.1171.2000111.7I2 F4 S378I2-L380 HydrophobicContact CB-CD2 4.46Å; I2-L380 HydrophobicContact CD1-CD1 3.49Å; I2-L380 VanDerWaalsContact CD1-CD1 3.49Å; I2-L380 HydrophobicContact CD1-CD2 3.26Å; I2-L380 HydrophobicContact CD1-CG 3.96Å; I2-L380 HydrophobicContact CG1-CD2 4.42Å; I2-L380 HydrophobicContact CG2-CD2 4.5Å; F4-L380 VanDerWaalsContact CZ-O 3.23Å; F4-L380 WeakPolarHBondContact CZ-O 3.38Å; S378-L380 PolarHBondContact O-N 3.18Å
381F55Low60.3Low68 Ų6882.2 Ų82.230%0.29851%0.505SS..  trans-79.5133.4-176.2-133.5-86.1000110.5Q64 E367 C368 C377 A379 A383Q64-F381 PolarHBondContact NE2-O 2.79Å; E367-F381 HydrophobicContact CB-CE2 4.23Å; E367-F381 HydrophobicContact CB-CZ 3.73Å; E367-F381 VanDerWaalsContact O-CE1 3.29Å; E367-F381 WeakPolarHBondContact O-CE1 3.44Å; E367-F381 WeakPolarHBondContact O-CZ 3.36Å; C368-F381 HydrophobicContact CB-CD2 4.16Å; C368-F381 HydrophobicContact CB-CE2 3.6Å; C368-F381 HydrophobicContact CB-CZ 4.07Å; C377-F381 HydrophobicContact CB-CD2 3.86Å; C377-F381 HydrophobicContact CB-CE2 3.46Å; C377-F381 VanDerWaalsContact CB-CE2 3.46Å; A379-F381 PolarHBondContact O-N 3.48Å; F381-A383 PolarHBondContact O-N 2.82Å
382E49.4Very low59.4Low27 Ų2789.6 Ų89.613%0.12652%0.522CS..  trans-63.390.9157.4-80.1-169.1154.400106.1F4 R6 H11 G12 S384F4-E382 HydrophobicContact CB-CG 4.44Å; F4-E382 HydrophobicContact CD1-CG 3.58Å; F4-E382 HydrophobicContact CD2-CG 3.95Å; F4-E382 HydrophobicContact CE1-CG 3.66Å; F4-E382 HydrophobicContact CE2-CG 4.01Å; F4-E382 HydrophobicContact CG-CG 3.73Å; F4-E382 HydrophobicContact CZ-CG 3.87Å; R6-E382 IonicContact NE-OE1 2.78Å; R6-E382 IonicContact NH2-OE1 3.97Å; R6-E382 IonicContact NH2-OE2 2.96Å; H11-E382 IonicContact CD2-OE2 3.22Å; G12-E382 VanDerWaalsContact CA-OE1 3.27Å; G12-E382 WeakPolarHBondContact CA-OE1 3.49Å; G12-E382 PolarHBondContact N-OE1 3.04Å; G12-E382 VanDerWaalsContact N-OE1 3.09Å; E382-S384 PolarHBondContact O-N 3.49Å
383A39Very low59Low72 Ų7287.2 Ų87.260%0.59552%0.515SS*.  trans-54.9111.916500000106F381 G385F381-A383 PolarHBondContact O-N 2.82Å; A383-G385 PolarHBondContact O-N 3.49Å
384S39.3Very low58.8Low111 Ų11189.5 Ų89.578%0.77653%0.529SS*.SBendtrans-62.57.6173.1-71.60000112.6E382 T386E382-S384 PolarHBondContact O-N 3.49Å; S384-T386 PolarHBondContact O-N 3.33Å
385G32.9Very low58.9Low53 Ų5390 Ų9055%0.54653%0.531SS..SBendtrans-76.985.316300000111.1A383 T387A383-G385 PolarHBondContact O-N 3.49Å; G385-T387 PolarHBondContact O-N 3.5Å
386T34.1Very low58.9Low111 Ų11196.7 Ų96.768%0.68154%0.541SS*.  trans-16.193.8152.9440000114.9S384 T388S384-T386 PolarHBondContact O-N 3.33Å; T386-T388 VanDerWaalsContact CB-OG1 3.31Å; T386-T388 WeakPolarHBondContact CB-OG1 3.39Å; T386-T388 WeakPolarHBondContact CG2-OG1 3.24Å
387T30.8Very low59.1Low136 Ų13688.1 Ų88.183%0.83450%0.501SS*.  trans-92.958.7139.4-41.40000107G385 Q389G385-T387 PolarHBondContact O-N 3.5Å; T387-Q389 PolarHBondContact O-N 3.32Å
388T40.9Very low59.3Low78 Ų7887.2 Ų87.248%0.47950%0.497SS..  trans-67.689.9165.516.90000105.9T386 A390T386-T388 VanDerWaalsContact CB-OG1 3.31Å; T386-T388 WeakPolarHBondContact CB-OG1 3.39Å; T386-T388 WeakPolarHBondContact CG2-OG1 3.24Å; T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.36Å
389Q43.3Very low59.8Low133 Ų13388.5 Ų88.562%0.62149%0.494SS*.  trans-51.2108157.7-97.7-178.6-400105.8T387 Y391T387-Q389 PolarHBondContact O-N 3.32Å; Q389-Y391 PolarHBondContact O-N 3.34Å
390A50.1Low61.1Low72 Ų7289.6 Ų89.660%0.59548%0.483SS*.  trans-58.4114.4-17800000106.9T388 R392T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.36Å; A390-R392 PolarHBondContact O-N 2.89Å
391Y64.2Low62.5Low37 Ų3786.7 Ų86.715%0.14547%0.468CS..  trans-54.3108.5170.6169.1-98000107.6A46 G47 T240 V290 Q389 V393A46-Y391 VanDerWaalsContact O-CD2 3.26Å; A46-Y391 WeakPolarHBondContact O-CD2 3.41Å; G47-Y391 VanDerWaalsContact CA-CD2 3.43Å; G47-Y391 VanDerWaalsContact O-CE2 3.26Å; G47-Y391 WeakPolarHBondContact O-CE2 3.27Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.37Å; T240-Y391 PolarHBondContact OG1-OH 3.32Å; T240-Y391 VanDerWaalsContact OG1-OH 3.09Å; V290-Y391 HydrophobicContact CG2-CD1 4.29Å; V290-Y391 HydrophobicContact CG2-CE1 3.37Å; Q389-Y391 PolarHBondContact O-N 3.34Å; Y391-V393 HydrophobicContact CD1-CG2 4.35Å; Y391-V393 HydrophobicContact CE1-CG2 3.44Å; Y391-V393 VanDerWaalsContact CE1-CG2 3.44Å
392R68.4Low64.1Low207 Ų20787 Ų8778%0.78147%0.467SS*.  trans-106.8122.6173.5-75.1-176.3-176.6149.31.4107.6A390A390-R392 PolarHBondContact O-N 2.89Å
393V79Confident65.6Low24 Ų2486.1 Ų86.115%0.14546%0.462CS..  trans-65.9142.7169178.50000108.3I239 V290 A291 Y391 E395 A398I239-V393 HydrophobicContact CD1-CG1 3.87Å; I239-V393 HydrophobicContact CG1-CG1 3.41Å; I239-V393 VanDerWaalsContact CG1-CG1 3.41Å; V290-V393 HydrophobicContact CG1-CG2 4.35Å; A291-V393 HydrophobicContact CB-CG2 4.22Å; Y391-V393 HydrophobicContact CD1-CG2 4.35Å; Y391-V393 HydrophobicContact CE1-CG2 3.44Å; Y391-V393 VanDerWaalsContact CE1-CG2 3.44Å; V393-E395 PolarHBondContact O-N 2.8Å; V393-A398 HydrophobicContact CG1-CB 4.14Å
394D83.9Confident67Low100 Ų10087.4 Ų87.454%0.53546%0.456SS..  trans-64129.6171.9-178.9-86.7000110.7R396 A397 A398D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 2.93Å; D394-R396 WeakPolarHBondContact OD1-CA 3.45Å; D394-R396 WeakPolarHBondContact OD1-CB 3.46Å; D394-R396 PolarHBondContact OD1-N 2.88Å; D394-A397 HydrophobicContact CB-CB 3.95Å; D394-A397 PolarHBondContact O-N 3.32Å; D394-A397 PolarHBondContact OD1-N 3.19Å; D394-A398 PolarHBondContact O-N 3.18Å
395E84.5Confident67.6Low160 Ų16088.4 Ų88.475%0.74845%0.449SS*.Hα-helixtrans-61.9-38.2-174.8-72.1-177.6166.900112.5V393 A398 E399V393-E395 PolarHBondContact O-N 2.8Å; E395-A398 PolarHBondContact O-N 2.79Å; E395-E399 WeakPolarHBondContact O-CG 3.38Å; E395-E399 PolarHBondContact O-N 3.43Å
396R85.6Confident68.4Low191 Ų19187.7 Ų87.772%0.72144%0.437SS*.Hα-helixtrans-69.8-39.2178.8-61.3178.7177.5177.40.2111D394 A398 E399 Q400D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 2.93Å; D394-R396 WeakPolarHBondContact OD1-CA 3.45Å; D394-R396 WeakPolarHBondContact OD1-CB 3.46Å; D394-R396 PolarHBondContact OD1-N 2.88Å; R396-A398 VanDerWaalsContact C-N 3.3Å; R396-A398 PolarHBondContact O-N 3.46Å; R396-E399 PolarHBondContact O-N 3.36Å; R396-Q400 WeakPolarHBondContact O-CG 3.49Å; R396-Q400 PolarHBondContact O-N 3.4Å
397A86.2Confident69Low4 Ų487 Ų873%0.03344%0.437CS..Hα-helixtrans-62.4-39.4173.700000111.6T242 D394 Q400 A401T242-A397 HydrophobicContact CG2-CB 3.9Å; D394-A397 HydrophobicContact CB-CB 3.95Å; D394-A397 PolarHBondContact O-N 3.32Å; D394-A397 PolarHBondContact OD1-N 3.19Å; A397-Q400 PolarHBondContact O-N 2.82Å; A397-A401 WeakPolarHBondContact O-CB 3.27Å; A397-A401 PolarHBondContact O-N 2.89Å
398A86.4Confident69.6Low15 Ų1589.7 Ų89.712%0.12444%0.437CS..Hα-helixtrans-65.9-38.4175.800000112.8I239 H257 V393 D394 E395 R396I239-A398 HydrophobicContact CD1-CB 4.09Å; I239-A398 HydrophobicContact CG1-CB 4.39Å; H257-A398 PolarHBondContact CD2-O 2.88Å; H257-A398 VanDerWaalsContact CD2-O 3.29Å; H257-A398 PolarHBondContact NE2-O 2.8Å; V393-A398 HydrophobicContact CG1-CB 4.14Å; D394-A398 PolarHBondContact O-N 3.18Å; E395-A398 PolarHBondContact O-N 2.79Å; R396-A398 VanDerWaalsContact C-N 3.3Å; R396-A398 PolarHBondContact O-N 3.46Å
399E85.9Confident69.7Low103 Ų10394 Ų9448%0.48145%0.452SS..Hα-helixtrans-64.2-45.9174.1-72.9177167.600112.5E395 R396 A401 R402E395-E399 WeakPolarHBondContact O-CG 3.38Å; E395-E399 PolarHBondContact O-N 3.43Å; R396-E399 PolarHBondContact O-N 3.36Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.42Å; E399-R402 WeakPolarHBondContact O-CD 3.39Å; E399-R402 VanDerWaalsContact O-CG 3.3Å; E399-R402 WeakPolarHBondContact O-CG 3.25Å
400Q85.5Confident69.8Low119 Ų11992.7 Ų92.756%0.55645%0.453SS*.Hα-helixtrans-70.1-28.7-179.9-69177-700113.2R396 A397 R402R396-Q400 WeakPolarHBondContact O-CG 3.49Å; R396-Q400 PolarHBondContact O-N 3.4Å; A397-Q400 PolarHBondContact O-N 2.82Å; Q400-R402 PolarHBondContact O-N 3.1Å
401A87.7Confident69.7Low0 Ų095.6 Ų95.60%046%0.457CS..THydrogen-bonded Turntrans-84.124.2-176.900000114.1T237 I239 H257 V258 A397 E399T237-A401 VanDerWaalsContact O-CB 3.32Å; T237-A401 WeakPolarHBondContact O-CB 3.45Å; I239-A401 HydrophobicContact CB-CB 3.64Å; I239-A401 HydrophobicContact CG1-CB 4.26Å; H257-A401 CarbonylContact C-O 3.59Å; H257-A401 WeakPolarHBondContact CA-O 3.27Å; V258-A401 WeakPolarHBondContact CB-O 3.39Å; V258-A401 WeakPolarHBondContact CG2-O 3.42Å; V258-A401 PolarHBondContact N-O 2.88Å; A397-A401 WeakPolarHBondContact O-CB 3.27Å; A397-A401 PolarHBondContact O-N 2.89Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.42Å
402R88.1Confident68.9Low73 Ų73102.7 Ų102.728%0.27549%0.489SS..BIsolated β-bridgetrans-88.5129.2179.3-65.7178-174.9169.84.2111.6E399 Q400 E404 E405E399-R402 WeakPolarHBondContact O-CD 3.39Å; E399-R402 VanDerWaalsContact O-CG 3.3Å; E399-R402 WeakPolarHBondContact O-CG 3.25Å; Q400-R402 PolarHBondContact O-N 3.1Å; R402-E404 PolarHBondContact O-N 3.11Å; R402-E405 WeakPolarHBondContact CD-OE1 3.39Å; R402-E405 IonicContact CZ-OE1 3.15Å; R402-E405 IonicContact NH1-OE1 3.19Å; R402-E405 PolarHBondContact NH1-OE1 3.31Å
403W81.6Confident68.4Low9 Ų9100.1 Ų100.13%0.03448%0.483CS..SBendtrans-69.8-31.2-179.7-171-113.7000113.9A230 R234 I236 V248 V250 R256 V258A230-W403 HydrophobicContact CB-CH2 4Å; A230-W403 HydrophobicContact CB-CZ2 4.03Å; R234-W403 VanDerWaalsContact CZ-CE2 3.44Å; R234-W403 PolarHBondContact NH1-O 2.9Å; I236-W403 HydrophobicContact CG1-CE3 4.21Å; I236-W403 HydrophobicContact CG1-CZ3 4.48Å; V248-W403 HydrophobicContact CG2-CZ3 4.18Å; V250-W403 HydrophobicContact CG1-CB 3.92Å; V250-W403 HydrophobicContact CG1-CG 4.06Å; V250-W403 HydrophobicContact CG2-CD2 4Å; V250-W403 HydrophobicContact CG2-CE3 4.04Å; V250-W403 HydrophobicContact CG2-CG 4.32Å; V250-W403 HydrophobicContact CG2-CZ3 4.49Å; R256-W403 HydrophobicContact CB-CB 3.78Å; R256-W403 WeakPolarHBondContact O-CB 3.49Å; R256-W403 PolarHBondContact O-N 3.31Å; V258-W403 HydrophobicContact CG2-CB 4.05Å; V258-W403 HydrophobicContact CG2-CE3 3.82Å
404E67.8Low67.9Low100 Ų100103.1 Ų103.147%0.46750%0.502SS..SBendtrans-95.3-3.3-164.9-68-169.3158.900116.1R256 R402 A406R256-E404 HydrophobicContact CB-CG 4.44Å; R256-E404 VanDerWaalsContact CD-OE1 3.26Å; R256-E404 WeakPolarHBondContact CD-OE1 3.23Å; R256-E404 HydrophobicContact CG-CG 4.45Å; R256-E404 IonicContact CZ-OE1 3.54Å; R256-E404 IonicContact NE-OE1 2.73Å; R256-E404 IonicContact NH1-OE1 3.75Å; R256-E404 PolarHBondContact NH1-OE1 2.9Å; R402-E404 PolarHBondContact O-N 3.11Å; E404-A406 VanDerWaalsContact C-N 3.25Å; E404-A406 PolarHBondContact O-N 3.39Å; E404-A406 VanDerWaalsContact O-N 3.15Å
405E53.8Low67.6Low132 Ų132101.5 Ų101.562%0.61750%0.495SS*.THydrogen-bonded Turntrans-79.56.8-173.3-97.5176.6-16300115.8R402 S407R402-E405 WeakPolarHBondContact CD-OE1 3.39Å; R402-E405 IonicContact CZ-OE1 3.15Å; R402-E405 IonicContact NH1-OE1 3.19Å; R402-E405 PolarHBondContact NH1-OE1 3.31Å; E405-S407 PolarHBondContact O-N 2.88Å
406A47.9Very low67.6Low37 Ų3796.1 Ų96.131%0.30647%0.47SS..THydrogen-bonded Turntrans-84.519.1174.600000114.1E404 K408 E409 T410E404-A406 VanDerWaalsContact C-N 3.25Å; E404-A406 PolarHBondContact O-N 3.39Å; E404-A406 VanDerWaalsContact O-N 3.15Å; A406-K408 PolarHBondContact O-N 2.91Å; A406-E409 PolarHBondContact O-N 3.02Å; A406-T410 PolarHBondContact O-N 3.4Å; A406-T410 PolarHBondContact O-OG1 3.24Å
407S47Very low67.7Low97 Ų9790.7 Ų90.768%0.67846%0.459SS*.THydrogen-bonded Turntrans-61.4-9.8179.3-77.30000114.7E405E405-S407 PolarHBondContact O-N 2.88Å
408K44.6Very low67.8Low193 Ų19390.5 Ų90.584%0.83946%0.457SS*.THydrogen-bonded Turntrans-98.3-25.2179.8-71.8-179179.6174.50115.1A406A406-K408 PolarHBondContact O-N 2.91Å
409E42.3Very low68Low167 Ų16792.2 Ų92.278%0.7847%0.468SS*.THydrogen-bonded Turntrans-96.8-21178.6-70.5-165.114900113.8A406 I411 K412A406-E409 PolarHBondContact O-N 3.02Å; E409-I411 PolarHBondContact O-N 3.04Å; E409-I411 VanDerWaalsContact O-N 3.11Å; E409-K412 PolarHBondContact O-N 3.15Å
410T46Very low68.2Low107 Ų10794.5 Ų94.566%0.65647%0.472SS*.G310 helixtrans-74.8-2.7-173.1-42.30000113.6A406 K412A406-T410 PolarHBondContact O-N 3.4Å; A406-T410 PolarHBondContact O-OG1 3.24Å; T410-K412 PolarHBondContact O-N 3.01Å; T410-K412 VanDerWaalsContact O-N 3.14Å
411I47Very low68.4Low132 Ų13291 Ų9168%0.67746%0.46SS*.G310 helixtrans-66.3-10.5171.5-62.8175.1000111.8E409E409-I411 PolarHBondContact O-N 3.04Å; E409-I411 VanDerWaalsContact O-N 3.11Å
412K48.1Very low68.5Low187 Ų18797.3 Ų97.381%0.81349%0.489SS*.G310 helixtrans-90.74.2-166.2-85.2-175.7176.91760119.7E409 T410E409-K412 PolarHBondContact O-N 3.15Å; T410-K412 PolarHBondContact O-N 3.01Å; T410-K412 VanDerWaalsContact O-N 3.14Å
413K58.4Low68.5Low153 Ų15395.8 Ų95.867%0.66549%0.488SS*.  trans-146.962.8172.8-63.8-176.9-175.2169.80112.9W447K413-W447 VanDerWaalsContact O-CZ2 3.3Å; K413-W447 WeakPolarHBondContact O-CZ2 3.33Å
414T68.3Low68.7Low87 Ų8799.6 Ų99.653%0.53451%0.514SS..SBendtrans-78.1-26.8170.146.90000112.3E426 K427 W447T414-E426 WeakPolarHBondContact O-CA 3.42Å; T414-K427 PolarHBondContact O-N 3.33Å; T414-W447 WeakPolarHBondContact O-CH2 3.35Å
415T75.9Confident69.6Low65 Ų6595.4 Ų95.440%0.39950%0.495SS..EExtended strand (participates in β ladder)trans-121.8138.4-1789.50000111.6P424 V425 E426T415-P424 HydrophobicContact CG2-CB 3.99Å; T415-V425 WeakPolarHBondContact CA-O 3.46Å; T415-E426 HydrophobicContact CG2-CG 3.51Å
416K84.7Confident71.1Confident47 Ų4795 Ų9520%0.20449%0.493CS..EExtended strand (participates in β ladder)trans-134.8144.9167.6-79.4-177.5-177.2174.40110.2V425 W445 W447K416-V425 PolarHBondContact N-O 3.34Å; K416-V425 PolarHBondContact O-N 3.03Å; K416-W445 HydrophobicContact CB-CH2 3.88Å; K416-W445 HydrophobicContact CD-CH2 4.4Å; K416-W447 HydrophobicContact CB-CE3 4.18Å; K416-W447 HydrophobicContact CB-CH2 3.63Å; K416-W447 HydrophobicContact CB-CZ2 4.14Å; K416-W447 HydrophobicContact CB-CZ3 3.64Å; K416-W447 HydrophobicContact CD-CD2 3.8Å; K416-W447 HydrophobicContact CD-CE3 4.09Å; K416-W447 HydrophobicContact CD-CG 4.43Å; K416-W447 HydrophobicContact CD-CH2 4.01Å; K416-W447 HydrophobicContact CD-CZ2 3.66Å; K416-W447 HydrophobicContact CD-CZ3 4.2Å; K416-W447 HydrophobicContact CG-CD2 4.46Å; K416-W447 HydrophobicContact CG-CE3 4.41Å; K416-W447 HydrophobicContact CG-CH2 3.6Å; K416-W447 HydrophobicContact CG-CZ2 3.57Å; K416-W447 HydrophobicContact CG-CZ3 4.03Å; K416-W447 PolarHBondContact NZ-O 3.33Å
417P87.9Confident72.7Confident77 Ų7795.6 Ų95.650%0.549%0.489SS..EExtended strand (participates in β ladder)trans-69.1141.9175.629.6-34000110.6H422P417-H422 HydrophobicContact CB-CB 4.49Å; P417-H422 WeakPolarHBondContact CB-O 3.47Å
418C88.7Confident74Confident0 Ų097.7 Ų97.70%049%0.492CS..  trans-59133.1171.31790000110.2R420 C421 H422 V423 V425C418-R420 PolarHBondContact O-N 2.89Å; C418-C421 WeakPolarHBondContact CB-SG 3.3Å; C418-C421 VanDerWaalsContact SG-SG 3.66Å; C418-H422 WeakPolarHBondContact O-CA 3.43Å; C418-H422 PolarHBondContact O-N 3Å; C418-V423 PolarHBondContact N-O 2.96Å; C418-V425 HydrophobicContact CB-CG2 4.48Å
419P91.3Very high75.5Confident52 Ų5291 Ų9134%0.33848%0.479SS..THydrogen-bonded Turntrans-59.1-22.1179.9-26.734.5000115.1L443 W445 G450P419-L443 HydrophobicContact CB-CD2 4.39Å; P419-W445 VanDerWaalsContact CD-CD2 3.47Å; P419-W445 HydrophobicContact CG-CB 4.27Å; P419-W445 HydrophobicContact CG-CD2 3.83Å; P419-W445 HydrophobicContact CG-CE3 3.7Å; P419-W445 HydrophobicContact CG-CG 4.09Å; P419-W445 HydrophobicContact CG-CZ3 4.36Å; P419-G450 WeakPolarHBondContact CB-O 3.25Å; P419-G450 WeakPolarHBondContact CG-O 3.27Å
420R89.4Confident77.4Confident150 Ų15084 Ų8457%0.56645%0.45SS*.THydrogen-bonded Turntrans-102-49.1-178-178-177.1-67.1176.2-1.5113.5C418 L443C418-R420 PolarHBondContact O-N 2.89Å; R420-L443 HydrophobicContact CB-CD2 3.72Å
421C90.9Very high79.3Confident45 Ų4579.9 Ų79.930%0.30443%0.426SS..THydrogen-bonded Turntrans-107.3-0.9-174.470.40000114.1C418 V423 C436 C441C418-C421 WeakPolarHBondContact CB-SG 3.3Å; C418-C421 VanDerWaalsContact SG-SG 3.66Å; C421-V423 PolarHBondContact O-N 2.83Å; C421-C436 PolarHBondContact SG-SG 2.96Å; C421-C441 HydrophobicContact CB-CB 4.05Å
422H88.3Confident81.2Confident134 Ų13473.8 Ų73.862%0.6240%0.395SS*.  trans57.73.2-179.7-55.1-63.1000116.7P417 C418P417-H422 HydrophobicContact CB-CB 4.49Å; P417-H422 WeakPolarHBondContact CB-O 3.47Å; C418-H422 WeakPolarHBondContact O-CA 3.43Å; C418-H422 PolarHBondContact O-N 3Å
423V88.1Confident83.1Confident41 Ų4167.6 Ų67.625%0.24837%0.369CS..  trans-62.4131172.9174.40000109.3C418 C421 V425 Q438C418-V423 PolarHBondContact N-O 2.96Å; C421-V423 PolarHBondContact O-N 2.83Å; V423-V425 PolarHBondContact O-N 3.19Å; V423-Q438 HydrophobicContact CB-CG 4.12Å; V423-Q438 HydrophobicContact CG1-CG 4.08Å; V423-Q438 HydrophobicContact CG2-CG 3.79Å
424P86.8Confident84.6Confident89 Ų8961 Ų6158%0.57834%0.34SS*.EExtended strand (participates in β ladder)trans-64.8130.3178.326.6-33.9000110.3T415T415-P424 HydrophobicContact CG2-CB 3.99Å
425V86.3Confident85.6Confident12 Ų1262.6 Ų62.67%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-119131.4175.3-174.20000108.4T415 K416 C418 V423 M434 W445 W447T415-V425 WeakPolarHBondContact CA-O 3.46Å; K416-V425 PolarHBondContact N-O 3.34Å; K416-V425 PolarHBondContact O-N 3.03Å; C418-V425 HydrophobicContact CB-CG2 4.48Å; V423-V425 PolarHBondContact O-N 3.19Å; V425-M434 HydrophobicContact CG1-CE 3.6Å; V425-W445 HydrophobicContact CB-CZ2 4.45Å; V425-W447 WeakPolarHBondContact O-CZ3 3.45Å
426E85Confident86.3Confident123 Ų12359.7 Ų59.758%0.57532%0.322SS*.EExtended strand (participates in β ladder)trans-84.4138.8176.1-76.4178.4178.700111.4T414 T415 M434T414-E426 WeakPolarHBondContact O-CA 3.42Å; T415-E426 HydrophobicContact CG2-CG 3.51Å; E426-M434 VanDerWaalsContact O-CE 3.27Å; E426-M434 WeakPolarHBondContact O-CE 3.38Å
427K82.5Confident86.5Confident49 Ų4961.9 Ų61.921%0.21334%0.341CS..  trans-87.3110174.1-179.5-179.5162.5-164.80109.8T414 G429 M432 M434 W447T414-K427 PolarHBondContact O-N 3.33Å; K427-G429 WeakPolarHBondContact CE-O 3.45Å; K427-M432 HydrophobicContact CD-CE 4.36Å; K427-M432 VanDerWaalsContact CE-CE 3.4Å; K427-M434 HydrophobicContact CB-CE 4.46Å; K427-M434 HydrophobicContact CG-SD 4.42Å; K427-W447 HydrophobicContact CB-CD2 4.13Å; K427-W447 HydrophobicContact CB-CE3 3.97Å; K427-W447 HydrophobicContact CB-CH2 3.7Å; K427-W447 HydrophobicContact CB-CZ2 3.9Å; K427-W447 HydrophobicContact CB-CZ3 3.75Å; K427-W447 HydrophobicContact CD-CD2 3.89Å; K427-W447 HydrophobicContact CD-CG 3.99Å; K427-W447 HydrophobicContact CD-CZ2 4.27Å; K427-W447 HydrophobicContact CG-CD2 4.38Å
428N72.8Confident86.6Confident141 Ų14162.2 Ų62.275%0.75434%0.336SS*.  trans-95.3103.1175-66.6-26.1000109.9
429G77.9Confident86.6Confident54 Ų5466.2 Ų66.256%0.55736%0.362SS*.SBendtrans86.9-162.7177.600000114.7K427K427-G429 WeakPolarHBondContact CE-O 3.45Å
430G82.1Confident86.5Confident18 Ų1872.9 Ų72.919%0.18639%0.389CS..SBendtrans-86.4-8-174.500000115.9S181 M432 F463 D464S181-G430 WeakPolarHBondContact O-CA 3.36Å; G430-M432 WeakPolarHBondContact O-CE 3.49Å; G430-F463 CarbonylContact O-C 3.21Å; G430-F463 WeakPolarHBondContact O-CA 3.18Å; G430-F463 WeakPolarHBondContact O-CB 3.49Å; G430-D464 PolarHBondContact O-N 3.15Å
431C85.4Confident86.6Confident21 Ų2166.6 Ų66.614%0.14237%0.367CS..BIsolated β-bridgetrans-70.9137.6-176.1-172.90000112.3H433C431-H433 PolarHBondContact SG-N 3.15Å; C431-H433 VanDerWaalsContact SG-N 3.43Å
432M86.3Confident86.5Confident4 Ų472.5 Ų72.52%0.0238%0.383CS..  trans-89.6-12176.6-66-55.399.600113.6K427 G430 M434 C446 W447 N448 W453 H461 W462 D464K427-M432 HydrophobicContact CD-CE 4.36Å; K427-M432 VanDerWaalsContact CE-CE 3.4Å; G430-M432 WeakPolarHBondContact O-CE 3.49Å; M432-M434 PolarHBondContact O-N 2.89Å; M432-C446 WeakPolarHBondContact O-CA 3.14Å; M432-W447 PolarHBondContact O-N 3.03Å; M432-W447 HydrophobicContact SD-CB 3.91Å; M432-W447 HydrophobicContact SD-CG 4.38Å; M432-N448 HydrophobicContact SD-CB 4.39Å; M432-W453 HydrophobicContact CB-CZ3 4.27Å; M432-H461 WeakPolarHBondContact CB-O 3.05Å; M432-H461 WeakPolarHBondContact CG-O 3.4Å; M432-W462 WeakPolarHBondContact CB-O 3.45Å; M432-W462 PolarHBondContact N-O 2.84Å; M432-D464 HydrophobicContact CE-CB 3.58Å
433H88.6Confident86.6Confident57 Ų5766.8 Ų66.826%0.26436%0.357SS..EExtended strand (participates in β ladder)trans-81104.5179.6-177.8-160.9000109.9C431 E444 W453C431-H433 PolarHBondContact SG-N 3.15Å; C431-H433 VanDerWaalsContact SG-N 3.43Å; H433-E444 IonicContact CE1-OE2 3.83Å; H433-E444 PolarHBondContact CE1-OE2 3.45Å; H433-E444 IonicContact NE2-OE2 3.92Å; H433-E444 PolarHBondContact NE2-OE2 2.82Å; H433-W453 HydrophobicContact CB-CD2 4.08Å; H433-W453 HydrophobicContact CB-CE3 4.11Å; H433-W453 HydrophobicContact CB-CH2 3.81Å; H433-W453 HydrophobicContact CB-CZ2 3.75Å; H433-W453 HydrophobicContact CB-CZ3 3.98Å; H433-W453 AromaticContact CD2-CD1 3.68Å; H433-W453 AromaticContact CD2-CD2 3.56Å; H433-W453 AromaticContact CD2-CE2 3.83Å; H433-W453 AromaticContact CD2-CG 3.5Å; H433-W453 VanDerWaalsContact CD2-CG 3.5Å; H433-W453 AromaticContact CD2-NE1 3.85Å; H433-W453 AromaticContact CE1-NE1 3.97Å; H433-W453 AromaticContact CG-CD2 3.87Å; H433-W453 AromaticContact CG-CE2 3.71Å; H433-W453 AromaticContact CG-NE1 3.88Å; H433-W453 AromaticContact ND1-NE1 3.96Å; H433-W453 AromaticContact NE2-CD1 3.55Å; H433-W453 AromaticContact NE2-CG 3.77Å; H433-W453 AromaticContact NE2-NE1 3.9Å
434M89.8Confident86.8Confident15 Ų1568 Ų687%0.07436%0.36CS..EExtended strand (participates in β ladder)trans-102.6141.8-178.4-57.9-58.2-57.600110.6V425 E426 K427 M432 E444 W445 W447V425-M434 HydrophobicContact CG1-CE 3.6Å; E426-M434 VanDerWaalsContact O-CE 3.27Å; E426-M434 WeakPolarHBondContact O-CE 3.38Å; K427-M434 HydrophobicContact CB-CE 4.46Å; K427-M434 HydrophobicContact CG-SD 4.42Å; M432-M434 PolarHBondContact O-N 2.89Å; M434-E444 CarbonylContact O-C 3.58Å; M434-E444 VanDerWaalsContact O-CA 3.27Å; M434-E444 WeakPolarHBondContact O-CA 3.29Å; M434-W445 HydrophobicContact CB-CD2 3.99Å; M434-W445 HydrophobicContact CB-CG 4.21Å; M434-W445 HydrophobicContact CB-CZ2 3.92Å; M434-W445 WeakPolarHBondContact CB-O 3.46Å; M434-W445 HydrophobicContact CG-CD2 4.48Å; M434-W445 HydrophobicContact CG-CH2 4.36Å; M434-W445 HydrophobicContact CG-CZ2 4.04Å; M434-W445 PolarHBondContact N-O 3.26Å; M434-W445 PolarHBondContact O-N 3.15Å; M434-W447 HydrophobicContact CE-CE3 3.99Å; M434-W447 HydrophobicContact CE-CZ3 4.12Å; M434-W447 HydrophobicContact CG-CB 3.88Å; M434-W447 HydrophobicContact CG-CE3 3.86Å; M434-W447 HydrophobicContact SD-CB 4.39Å; M434-W447 HydrophobicContact SD-CE3 3.85Å
435K89.8Confident87.1Confident121 Ų12163.9 Ų63.953%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-121.1127.2172.9-171.1166-170.3139.60110.2E444K435-E444 HydrophobicContact CB-CG 4.5Å; K435-E444 HydrophobicContact CD-CG 4.38Å; K435-E444 HydrophobicContact CG-CG 4.16Å; K435-E444 IonicContact NZ-OE1 3.42Å; K435-E444 PolarHBondContact NZ-OE1 3.4Å
436C90.3Very high87.3Confident3 Ų363.3 Ų63.32%0.0233%0.33CS..  trans-66.9125.3177.2-173.30000110C421 Q438 C441 L443C421-C436 PolarHBondContact SG-SG 2.96Å; C436-Q438 PolarHBondContact O-N 3.01Å; C436-C441 HydrophobicContact CB-CB 4.37Å; C436-L443 HydrophobicContact CB-CB 4.47Å; C436-L443 PolarHBondContact N-O 3.42Å
437P88.4Confident87.4Confident94 Ų9458.3 Ų58.361%0.6131%0.305SS*.  trans-72.2-17.3-179.829.4-35.2000112.7
438Q89.5Confident87.5Confident83 Ų8359.4 Ų59.439%0.38831%0.314SS..  trans-66.1122.8-179.9-72.1-65.5-23.600110.9V423 C436 Q440 C441 R442V423-Q438 HydrophobicContact CB-CG 4.12Å; V423-Q438 HydrophobicContact CG1-CG 4.08Å; V423-Q438 HydrophobicContact CG2-CG 3.79Å; C436-Q438 PolarHBondContact O-N 3.01Å; Q438-Q440 PolarHBondContact O-N 2.93Å; Q438-C441 HydrophobicContact CB-CB 4.08Å; Q438-C441 PolarHBondContact O-N 3.21Å; Q438-R442 PolarHBondContact O-N 2.64Å
439P89.1Confident88.1Confident84 Ų8454.5 Ų54.555%0.54529%0.29SS..THydrogen-bonded Turntrans-65.1-26-173.925.1-33.8000113R442P439-R442 WeakPolarHBondContact O-CG 3.38Å; P439-R442 PolarHBondContact O-NE 3.3Å
440Q89.9Confident88.5Confident193 Ų19353.6 Ų53.690%0.90228%0.281SS*.THydrogen-bonded Turntrans-81.2-20.9177.2-60.8-174.5-1.200113.2Q438Q438-Q440 PolarHBondContact O-N 2.93Å
441C90.8Very high88.8Confident17 Ų1755.1 Ų55.112%0.11529%0.288CS..THydrogen-bonded Turntrans-100-55.6-178.1-175.60000112.1C421 C436 Q438 L443C421-C441 HydrophobicContact CB-CB 4.05Å; C436-C441 HydrophobicContact CB-CB 4.37Å; Q438-C441 HydrophobicContact CB-CB 4.08Å; Q438-C441 PolarHBondContact O-N 3.21Å; C441-L443 PolarHBondContact O-N 3.18Å
442R89.1Confident89.1Confident170 Ų17060.1 Ų60.164%0.64231%0.309SS*.  trans43.125.2-177.5-63.7-179.7178.8-176.60.1115.7Q438 P439 E444Q438-R442 PolarHBondContact O-N 2.64Å; P439-R442 WeakPolarHBondContact O-CG 3.38Å; P439-R442 PolarHBondContact O-NE 3.3Å; R442-E444 PolarHBondContact O-N 3.44Å
443L91.3Very high89.3Confident13 Ų1361.6 Ų61.67%0.06832%0.315CS..  trans-66.9132.9-177.6176.166.1000109.7P419 R420 C436 C441 W445 E452P419-L443 HydrophobicContact CB-CD2 4.39Å; R420-L443 HydrophobicContact CB-CD2 3.72Å; C436-L443 HydrophobicContact CB-CB 4.47Å; C436-L443 PolarHBondContact N-O 3.42Å; C441-L443 PolarHBondContact O-N 3.18Å; L443-W445 HydrophobicContact CD2-CB 4.26Å; L443-W445 HydrophobicContact CG-CB 4.24Å; L443-E452 HydrophobicContact CD1-CG 4.11Å
444E91.6Very high89.3Confident66 Ų6661.7 Ų61.731%0.30832%0.317SS..EExtended strand (participates in β ladder)trans-97.4124.1168.5-62.1-172.4-173.100109.1H433 M434 K435 R442 W453H433-E444 IonicContact CE1-OE2 3.83Å; H433-E444 PolarHBondContact CE1-OE2 3.45Å; H433-E444 IonicContact NE2-OE2 3.92Å; H433-E444 PolarHBondContact NE2-OE2 2.82Å; M434-E444 CarbonylContact O-C 3.58Å; M434-E444 VanDerWaalsContact O-CA 3.27Å; M434-E444 WeakPolarHBondContact O-CA 3.29Å; K435-E444 HydrophobicContact CB-CG 4.5Å; K435-E444 HydrophobicContact CD-CG 4.38Å; K435-E444 HydrophobicContact CG-CG 4.16Å; K435-E444 IonicContact NZ-OE1 3.42Å; K435-E444 PolarHBondContact NZ-OE1 3.4Å; R442-E444 PolarHBondContact O-N 3.44Å; E444-W453 HydrophobicContact CB-CB 4.04Å; E444-W453 PolarHBondContact O-N 3.13Å
445W91.9Very high89Confident4 Ų470.1 Ų70.12%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-145.1157.9-170.564.8-77.3000111.9K416 P419 V425 M434 L443 W447 C451K416-W445 HydrophobicContact CB-CH2 3.88Å; K416-W445 HydrophobicContact CD-CH2 4.4Å; P419-W445 VanDerWaalsContact CD-CD2 3.47Å; P419-W445 HydrophobicContact CG-CB 4.27Å; P419-W445 HydrophobicContact CG-CD2 3.83Å; P419-W445 HydrophobicContact CG-CE3 3.7Å; P419-W445 HydrophobicContact CG-CG 4.09Å; P419-W445 HydrophobicContact CG-CZ3 4.36Å; V425-W445 HydrophobicContact CB-CZ2 4.45Å; M434-W445 HydrophobicContact CB-CD2 3.99Å; M434-W445 HydrophobicContact CB-CG 4.21Å; M434-W445 HydrophobicContact CB-CZ2 3.92Å; M434-W445 WeakPolarHBondContact CB-O 3.46Å; M434-W445 HydrophobicContact CG-CD2 4.48Å; M434-W445 HydrophobicContact CG-CH2 4.36Å; M434-W445 HydrophobicContact CG-CZ2 4.04Å; M434-W445 PolarHBondContact N-O 3.26Å; M434-W445 PolarHBondContact O-N 3.15Å; L443-W445 HydrophobicContact CD2-CB 4.26Å; L443-W445 HydrophobicContact CG-CB 4.24Å; W445-W447 HydrophobicContact CH2-CD2 4.49Å; W445-W447 AromaticContact CH2-CE3 3.7Å; W445-W447 HydrophobicContact CH2-CE3 3.7Å; W445-W447 HydrophobicContact CH2-CZ3 4.17Å; W445-W447 HydrophobicContact CZ2-CE3 4.25Å; W445-W447 HydrophobicContact CZ3-CE3 4.47Å; W445-C451 CarbonylContact C-O 3.54Å; W445-C451 VanDerWaalsContact CA-O 3.25Å; W445-C451 WeakPolarHBondContact CA-O 3.38Å; W445-C451 VanDerWaalsContact CB-O 3.3Å; W445-C451 WeakPolarHBondContact CB-O 3.38Å
446C90.4Very high88.8Confident0 Ų068.8 Ų68.80%035%0.35CS..EExtended strand (participates in β ladder)trans-87.4124.8177.9174.50000111.1M432 N448 C449 G450 C451 W453 C457 H461M432-C446 WeakPolarHBondContact O-CA 3.14Å; C446-N448 VanDerWaalsContact C-N 3.26Å; C446-N448 PolarHBondContact O-N 2.89Å; C446-N448 PolarHBondContact SG-N 3.17Å; C446-C449 HydrophobicContact CB-CB 4.12Å; C446-G450 WeakPolarHBondContact O-CA 3.41Å; C446-G450 PolarHBondContact O-N 3.05Å; C446-C451 PolarHBondContact N-O 2.9Å; C446-W453 HydrophobicContact CB-CE3 3.96Å; C446-W453 HydrophobicContact CB-CZ3 4.12Å; C446-C457 HydrophobicContact CB-CB 4.05Å; C446-H461 PolarHBondContact SG-NE2 2.76Å
447W87.4Confident88.6Confident17 Ų1768.9 Ų68.96%0.06435%0.35CS..THydrogen-bonded Turntrans-54.7-39.6178.5-178.2-98000113.3K413 T414 K416 V425 K427 M432 M434 W445K413-W447 VanDerWaalsContact O-CZ2 3.3Å; K413-W447 WeakPolarHBondContact O-CZ2 3.33Å; T414-W447 WeakPolarHBondContact O-CH2 3.35Å; K416-W447 HydrophobicContact CB-CE3 4.18Å; K416-W447 HydrophobicContact CB-CH2 3.63Å; K416-W447 HydrophobicContact CB-CZ2 4.14Å; K416-W447 HydrophobicContact CB-CZ3 3.64Å; K416-W447 HydrophobicContact CD-CD2 3.8Å; K416-W447 HydrophobicContact CD-CE3 4.09Å; K416-W447 HydrophobicContact CD-CG 4.43Å; K416-W447 HydrophobicContact CD-CH2 4.01Å; K416-W447 HydrophobicContact CD-CZ2 3.66Å; K416-W447 HydrophobicContact CD-CZ3 4.2Å; K416-W447 HydrophobicContact CG-CD2 4.46Å; K416-W447 HydrophobicContact CG-CE3 4.41Å; K416-W447 HydrophobicContact CG-CH2 3.6Å; K416-W447 HydrophobicContact CG-CZ2 3.57Å; K416-W447 HydrophobicContact CG-CZ3 4.03Å; K416-W447 PolarHBondContact NZ-O 3.33Å; V425-W447 WeakPolarHBondContact O-CZ3 3.45Å; K427-W447 HydrophobicContact CB-CD2 4.13Å; K427-W447 HydrophobicContact CB-CE3 3.97Å; K427-W447 HydrophobicContact CB-CH2 3.7Å; K427-W447 HydrophobicContact CB-CZ2 3.9Å; K427-W447 HydrophobicContact CB-CZ3 3.75Å; K427-W447 HydrophobicContact CD-CD2 3.89Å; K427-W447 HydrophobicContact CD-CG 3.99Å; K427-W447 HydrophobicContact CD-CZ2 4.27Å; K427-W447 HydrophobicContact CG-CD2 4.38Å; M432-W447 PolarHBondContact O-N 3.03Å; M432-W447 HydrophobicContact SD-CB 3.91Å; M432-W447 HydrophobicContact SD-CG 4.38Å; M434-W447 HydrophobicContact CE-CE3 3.99Å; M434-W447 HydrophobicContact CE-CZ3 4.12Å; M434-W447 HydrophobicContact CG-CB 3.88Å; M434-W447 HydrophobicContact CG-CE3 3.86Å; M434-W447 HydrophobicContact SD-CB 4.39Å; M434-W447 HydrophobicContact SD-CE3 3.85Å; W445-W447 HydrophobicContact CH2-CD2 4.49Å; W445-W447 AromaticContact CH2-CE3 3.7Å; W445-W447 HydrophobicContact CH2-CE3 3.7Å; W445-W447 HydrophobicContact CH2-CZ3 4.17Å; W445-W447 HydrophobicContact CZ2-CE3 4.25Å; W445-W447 HydrophobicContact CZ3-CE3 4.47Å
448N84.9Confident88.5Confident72 Ų7266.6 Ų66.639%0.38533%0.332SS..THydrogen-bonded Turntrans-80.1-50.1-176.2-160.223.3000112Y143 M432 C446Y143-N448 WeakPolarHBondContact CB-ND2 3.46Å; Y143-N448 VanDerWaalsContact CD1-ND2 3.3Å; Y143-N448 WeakPolarHBondContact CD1-ND2 3.27Å; Y143-N448 VanDerWaalsContact CG-ND2 3.26Å; M432-N448 HydrophobicContact SD-CB 4.39Å; C446-N448 VanDerWaalsContact C-N 3.26Å; C446-N448 PolarHBondContact O-N 2.89Å; C446-N448 PolarHBondContact SG-N 3.17Å
449C86.6Confident88.1Confident38 Ų3862.6 Ų62.626%0.25731%0.313SS..THydrogen-bonded Turntrans-78.3-27.7-174.6-620000113.9R140 C446 C451 H461R140-C449 PolarHBondContact NH1-O 2.96Å; C446-C449 HydrophobicContact CB-CB 4.12Å; C449-C451 HydrophobicContact CB-CB 4.38Å; C449-C451 WeakPolarHBondContact CB-SG 3.48Å; C449-C451 PolarHBondContact O-N 2.9Å; C449-H461 PolarHBondContact SG-NE2 2.86Å
450G85.9Confident88Confident35 Ų3559.3 Ų59.336%0.36129%0.291SS..  trans69.610.9-171.600000114P419 C446P419-G450 WeakPolarHBondContact CB-O 3.25Å; P419-G450 WeakPolarHBondContact CG-O 3.27Å; C446-G450 WeakPolarHBondContact O-CA 3.41Å; C446-G450 PolarHBondContact O-N 3.05Å
451C88.4Confident87.7Confident50 Ų5050.5 Ų50.534%0.33825%0.25SC..SBendtrans-98168.3176.468.50000111.4W445 C446 C449W445-C451 CarbonylContact C-O 3.54Å; W445-C451 VanDerWaalsContact CA-O 3.25Å; W445-C451 WeakPolarHBondContact CA-O 3.38Å; W445-C451 VanDerWaalsContact CB-O 3.3Å; W445-C451 WeakPolarHBondContact CB-O 3.38Å; C446-C451 PolarHBondContact N-O 2.9Å; C449-C451 HydrophobicContact CB-CB 4.38Å; C449-C451 WeakPolarHBondContact CB-SG 3.48Å; C449-C451 PolarHBondContact O-N 2.9Å
452E91.9Very high87.4Confident126 Ų12650.2 Ų50.259%0.58925%0.246SC*.BIsolated β-bridgetrans-58.1143.1171.5-171.9165.3-151.500111.4L443 N454L443-E452 HydrophobicContact CD1-CG 4.11Å; E452-N454 PolarHBondContact O-N 2.59Å; E452-N454 PolarHBondContact O-ND2 3.33Å
453W90.3Very high87.2Confident36 Ų3642.1 Ų42.114%0.13622%0.216CC..PPolyproline II helixtrans-63.8129.2-175.5-174.8-113.2000111M432 H433 E444 C446 C457 M458 W462M432-W453 HydrophobicContact CB-CZ3 4.27Å; H433-W453 HydrophobicContact CB-CD2 4.08Å; H433-W453 HydrophobicContact CB-CE3 4.11Å; H433-W453 HydrophobicContact CB-CH2 3.81Å; H433-W453 HydrophobicContact CB-CZ2 3.75Å; H433-W453 HydrophobicContact CB-CZ3 3.98Å; H433-W453 AromaticContact CD2-CD1 3.68Å; H433-W453 AromaticContact CD2-CD2 3.56Å; H433-W453 AromaticContact CD2-CE2 3.83Å; H433-W453 AromaticContact CD2-CG 3.5Å; H433-W453 VanDerWaalsContact CD2-CG 3.5Å; H433-W453 AromaticContact CD2-NE1 3.85Å; H433-W453 AromaticContact CE1-NE1 3.97Å; H433-W453 AromaticContact CG-CD2 3.87Å; H433-W453 AromaticContact CG-CE2 3.71Å; H433-W453 AromaticContact CG-NE1 3.88Å; H433-W453 AromaticContact ND1-NE1 3.96Å; H433-W453 AromaticContact NE2-CD1 3.55Å; H433-W453 AromaticContact NE2-CG 3.77Å; H433-W453 AromaticContact NE2-NE1 3.9Å; E444-W453 HydrophobicContact CB-CB 4.04Å; E444-W453 PolarHBondContact O-N 3.13Å; C446-W453 HydrophobicContact CB-CE3 3.96Å; C446-W453 HydrophobicContact CB-CZ3 4.12Å; W453-C457 HydrophobicContact CE3-CB 4.08Å; W453-C457 HydrophobicContact CH2-CB 4.36Å; W453-C457 HydrophobicContact CZ3-CB 3.82Å; W453-M458 HydrophobicContact CH2-CB 4.36Å; W453-M458 HydrophobicContact CZ2-CB 3.71Å; W453-M458 HydrophobicContact CZ2-CE 4.42Å; W453-M458 HydrophobicContact CZ2-CG 4.17Å; W453-W462 AromaticContact CH2-CD1 3.99Å; W453-W462 HydrophobicContact CH2-CG 4.41Å; W453-W462 AromaticContact CZ2-CD1 3.99Å; W453-W462 HydrophobicContact CZ2-CG 4.41Å; W453-W462 AromaticContact CZ2-NE1 3.82Å
454N88.1Confident86.6Confident58 Ų5844.5 Ų44.531%0.3123%0.229SC..  trans-145.5168.1-173.363.861.6000111.6E452 V456 C457 M458E452-N454 PolarHBondContact O-N 2.59Å; E452-N454 PolarHBondContact O-ND2 3.33Å; N454-V456 PolarHBondContact O-N 2.95Å; N454-V456 WeakPolarHBondContact OD1-CA 3.45Å; N454-V456 VanDerWaalsContact OD1-CB 3.25Å; N454-V456 WeakPolarHBondContact OD1-CB 3.23Å; N454-V456 PolarHBondContact OD1-N 2.9Å; N454-C457 PolarHBondContact O-N 3.44Å; N454-C457 PolarHBondContact OD1-N 2.9Å; N454-M458 WeakPolarHBondContact O-CB 3.49Å; N454-M458 PolarHBondContact O-N 3.24Å
455R83.8Confident85.6Confident193 Ų19343.8 Ų43.873%0.72823%0.229SC*.Hα-helixtrans-66.2-18.9-178-67.6-175.6178.4-110.71.4114G459R455-G459 PolarHBondContact O-N 3.18Å; R455-G459 VanDerWaalsContact O-N 3.15Å
456V84.9Confident85.3Confident93 Ų9345.8 Ų45.856%0.56424%0.24SC*.Hα-helixtrans-74.6-54.2175.9-177.50000109N454 M458 G459 D460N454-V456 PolarHBondContact O-N 2.95Å; N454-V456 WeakPolarHBondContact OD1-CA 3.45Å; N454-V456 VanDerWaalsContact OD1-CB 3.25Å; N454-V456 WeakPolarHBondContact OD1-CB 3.23Å; N454-V456 PolarHBondContact OD1-N 2.9Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 2.9Å; V456-G459 PolarHBondContact O-N 3.34Å; V456-D460 VanDerWaalsContact CG1-OD2 3.27Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.33Å; V456-D460 WeakPolarHBondContact O-CB 3.06Å; V456-D460 PolarHBondContact O-N 3.45Å
457C86.7Confident85.1Confident5 Ų548.2 Ų48.23%0.03425%0.252CS..Hα-helixtrans-57.3-42.5174.7-68.80000112.7C446 W453 N454 G459 H461 W462C446-C457 HydrophobicContact CB-CB 4.05Å; W453-C457 HydrophobicContact CE3-CB 4.08Å; W453-C457 HydrophobicContact CH2-CB 4.36Å; W453-C457 HydrophobicContact CZ3-CB 3.82Å; N454-C457 PolarHBondContact O-N 3.44Å; N454-C457 PolarHBondContact OD1-N 2.9Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.21Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 PolarHBondContact O-N 3.22Å; C457-H461 PolarHBondContact SG-NE2 2.84Å; C457-W462 PolarHBondContact O-N 3.3Å
458M85.4Confident84.9Confident45 Ų4549.9 Ų49.922%0.22226%0.263CS..Hα-helixtrans-59.5-38.2175-177.6-172.9-73.700112.5W453 N454 V456 W462W453-M458 HydrophobicContact CH2-CB 4.36Å; W453-M458 HydrophobicContact CZ2-CB 3.71Å; W453-M458 HydrophobicContact CZ2-CE 4.42Å; W453-M458 HydrophobicContact CZ2-CG 4.17Å; N454-M458 WeakPolarHBondContact O-CB 3.49Å; N454-M458 PolarHBondContact O-N 3.24Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 2.9Å; M458-W462 HydrophobicContact CB-CE3 4.44Å; M458-W462 HydrophobicContact CE-CH2 4.04Å; M458-W462 HydrophobicContact CE-CZ2 4.11Å; M458-W462 HydrophobicContact CG-CD2 3.64Å; M458-W462 HydrophobicContact CG-CE3 3.26Å; M458-W462 HydrophobicContact CG-CG 4.49Å; M458-W462 HydrophobicContact CG-CH2 3.66Å; M458-W462 HydrophobicContact CG-CZ2 3.98Å; M458-W462 HydrophobicContact CG-CZ3 3.29Å; M458-W462 WeakPolarHBondContact O-CB 3.11Å; M458-W462 HydrophobicContact SD-CE3 4.31Å; M458-W462 HydrophobicContact SD-CH2 3.7Å; M458-W462 HydrophobicContact SD-CZ2 4.29Å; M458-W462 HydrophobicContact SD-CZ3 3.71Å
459G82.2Confident84.9Confident0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-76.1-48.3-179.900000113.5F146 K161 L162 R455 V456 C457F146-G459 WeakPolarHBondContact CD2-O 3.14Å; K161-G459 WeakPolarHBondContact CA-O 3.16Å; L162-G459 PolarHBondContact N-O 3.25Å; R455-G459 PolarHBondContact O-N 3.18Å; R455-G459 VanDerWaalsContact O-N 3.15Å; V456-G459 PolarHBondContact O-N 3.34Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.21Å
460D85.4Confident84.8Confident15 Ų1549.3 Ų49.38%0.0826%0.255CS..Hα-helixtrans-85.5-34.1-165.9-62.3-10.4000111.3N144 S145 V456N144-D460 CarbonylContact C-O 3.57Å; N144-D460 WeakPolarHBondContact CA-O 3.22Å; N144-D460 WeakPolarHBondContact OD1-CB 3.28Å; S145-D460 PolarHBondContact N-O 3.23Å; V456-D460 VanDerWaalsContact CG1-OD2 3.27Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.33Å; V456-D460 WeakPolarHBondContact O-CB 3.06Å; V456-D460 PolarHBondContact O-N 3.45Å
461H83.5Confident84.7Confident7 Ų750.3 Ų50.33%0.03225%0.248CC..Hα-helixtrans-154.759.9-175.450.6-96.2000112.8Y143 S145 M432 C446 C449 C457 F463Y143-H461 HydrophobicContact CD1-CB 3.73Å; Y143-H461 HydrophobicContact CE1-CB 4.12Å; Y143-H461 PolarHBondContact O-ND1 3.09Å; S145-H461 WeakPolarHBondContact OG-CA 3.47Å; S145-H461 VanDerWaalsContact OG-CB 3.24Å; S145-H461 WeakPolarHBondContact OG-CB 3.38Å; M432-H461 WeakPolarHBondContact CB-O 3.05Å; M432-H461 WeakPolarHBondContact CG-O 3.4Å; C446-H461 PolarHBondContact SG-NE2 2.76Å; C449-H461 PolarHBondContact SG-NE2 2.86Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 PolarHBondContact O-N 3.22Å; C457-H461 PolarHBondContact SG-NE2 2.84Å; H461-F463 VanDerWaalsContact C-N 3.28Å; H461-F463 PolarHBondContact O-N 3.46Å
462W85.4Confident84.5Confident11 Ų1150.3 Ų50.34%0.04224%0.242CC..SBendtrans-59.8-41.1176-151.6-35.5000112F146 L162 V164 L176 P180 F208 M432 W453 C457 M458F146-W462 HydrophobicContact CE2-CB 4.42Å; F146-W462 HydrophobicContact CZ-CB 4.34Å; L162-W462 HydrophobicContact CD2-CB 3.88Å; L162-W462 HydrophobicContact CD2-CD2 4.31Å; L162-W462 HydrophobicContact CD2-CE3 3.73Å; L162-W462 HydrophobicContact CD2-CG 4.42Å; L162-W462 HydrophobicContact CG-CE3 4Å; V164-W462 HydrophobicContact CG1-CH2 3.94Å; V164-W462 HydrophobicContact CG1-CZ3 4.19Å; L176-W462 HydrophobicContact CD1-CH2 3.78Å; L176-W462 HydrophobicContact CD1-CZ2 3.82Å; P180-W462 HydrophobicContact CG-CB 4.36Å; P180-W462 HydrophobicContact CG-CD2 3.76Å; P180-W462 HydrophobicContact CG-CE3 4.23Å; P180-W462 HydrophobicContact CG-CG 3.8Å; F208-W462 HydrophobicContact CE1-CZ3 4.42Å; M432-W462 WeakPolarHBondContact CB-O 3.45Å; M432-W462 PolarHBondContact N-O 2.84Å; W453-W462 AromaticContact CH2-CD1 3.99Å; W453-W462 HydrophobicContact CH2-CG 4.41Å; W453-W462 AromaticContact CZ2-CD1 3.99Å; W453-W462 HydrophobicContact CZ2-CG 4.41Å; W453-W462 AromaticContact CZ2-NE1 3.82Å; C457-W462 PolarHBondContact O-N 3.3Å; M458-W462 HydrophobicContact CB-CE3 4.44Å; M458-W462 HydrophobicContact CE-CH2 4.04Å; M458-W462 HydrophobicContact CE-CZ2 4.11Å; M458-W462 HydrophobicContact CG-CD2 3.64Å; M458-W462 HydrophobicContact CG-CE3 3.26Å; M458-W462 HydrophobicContact CG-CG 4.49Å; M458-W462 HydrophobicContact CG-CH2 3.66Å; M458-W462 HydrophobicContact CG-CZ2 3.98Å; M458-W462 HydrophobicContact CG-CZ3 3.29Å; M458-W462 WeakPolarHBondContact O-CB 3.11Å; M458-W462 HydrophobicContact SD-CE3 4.31Å; M458-W462 HydrophobicContact SD-CH2 3.7Å; M458-W462 HydrophobicContact SD-CZ2 4.29Å; M458-W462 HydrophobicContact SD-CZ3 3.71Å
463F85.3Confident83.9Confident1 Ų144.5 Ų44.50%0.00422%0.215CC..BIsolated β-bridgetrans-131.6162.3173.664.5-90.8000110.7S145 F146 L162 P180 W183 V186 G430 H461 V465S145-F463 WeakPolarHBondContact CB-O 3.38Å; S145-F463 PolarHBondContact OG-O 3.29Å; F146-F463 HydrophobicContact CD1-CZ 4.29Å; F146-F463 AromaticContact CE1-CD1 3.87Å; F146-F463 HydrophobicContact CE1-CD1 3.87Å; F146-F463 HydrophobicContact CE1-CD2 4.21Å; F146-F463 AromaticContact CE1-CE1 3.4Å; F146-F463 HydrophobicContact CE1-CE1 3.4Å; F146-F463 AromaticContact CE1-CE2 3.79Å; F146-F463 HydrophobicContact CE1-CE2 3.79Å; F146-F463 HydrophobicContact CE1-CG 4.26Å; F146-F463 AromaticContact CE1-CZ 3.36Å; F146-F463 HydrophobicContact CE1-CZ 3.36Å; F146-F463 AromaticContact CZ-CD1 3.66Å; F146-F463 HydrophobicContact CZ-CD1 3.66Å; F146-F463 AromaticContact CZ-CE1 3.55Å; F146-F463 HydrophobicContact CZ-CE1 3.55Å; F146-F463 HydrophobicContact CZ-CG 4.2Å; F146-F463 HydrophobicContact CZ-CZ 4.02Å; L162-F463 HydrophobicContact CD2-CD1 4.48Å; L162-F463 HydrophobicContact CD2-CE1 4.19Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.31Å; W183-F463 HydrophobicContact CD2-CE2 4.26Å; W183-F463 AromaticContact CD2-CZ 3.96Å; W183-F463 HydrophobicContact CD2-CZ 3.96Å; W183-F463 HydrophobicContact CE3-CZ 4.15Å; W183-F463 HydrophobicContact CG-CE2 4.21Å; W183-F463 HydrophobicContact CG-CZ 4.22Å; V186-F463 HydrophobicContact CG1-CE1 3.92Å; V186-F463 HydrophobicContact CG2-CE1 4.05Å; V186-F463 HydrophobicContact CG2-CZ 4.06Å; G430-F463 CarbonylContact O-C 3.21Å; G430-F463 WeakPolarHBondContact O-CA 3.18Å; G430-F463 WeakPolarHBondContact O-CB 3.49Å; H461-F463 VanDerWaalsContact C-N 3.28Å; H461-F463 PolarHBondContact O-N 3.46Å; F463-V465 HydrophobicContact CD2-CG2 4.18Å; F463-V465 HydrophobicContact CE2-CG2 3.98Å
464D79.1Confident83.4Confident63 Ų6345.2 Ų45.234%0.33722%0.222SC..  trans-96.2147.6177.6-160.625.7000110.7Y143 G430 M432Y143-D464 PolarHBondContact OH-OD1 3.24Å; G430-D464 PolarHBondContact O-N 3.15Å; M432-D464 HydrophobicContact CE-CB 3.58Å
465V70.5Confident82.9Confident51 Ų5144 Ų4431%0.30921%0.214SC..  trans-120.70-162.6-1630000113.3F146 W183 F463F146-V465 HydrophobicContact CE1-CG2 4.32Å; W183-V465 HydrophobicContact CZ2-CG1 4.43Å; F463-V465 HydrophobicContact CD2-CG2 4.18Å; F463-V465 HydrophobicContact CE2-CG2 3.98Å

Retrieved 465 of 465 residues in 85.9 ms (Link to these results)

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