X5DNX0_HUMAN Loading...

E3 ubiquitin-protein ligase parkin

AlphaFold DB , UniProt , Accession X5DNX0, Species HUMAN (Homo sapiens, Human), Gene PARK2, Length 465 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.8Confident83.1Confident62 Ų6217.4 Ų17.431%0.3059%0.089SC..  0151.20-171.2178.281.900108.7V3 E16 V17 V56 L61 D62 Q63M1-V3 HydrophobicContact CE-CG1 3.61Å; M1-E16 WeakPolarHBondContact O-CA 3.43Å; M1-V17 CarbonylContact C-O 3.6Å; M1-V17 WeakPolarHBondContact CA-O 3.21Å; M1-V17 HydrophobicContact CB-CG2 4.36Å; M1-V17 WeakPolarHBondContact CB-O 3.46Å; M1-V17 HydrophobicContact CE-CG2 3.89Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 PolarHBondContact O-N 2.86Å; M1-V56 HydrophobicContact CE-CG1 3.27Å; M1-V56 HydrophobicContact SD-CG1 4.44Å; M1-L61 HydrophobicContact CE-CB 3.86Å; M1-L61 WeakPolarHBondContact CE-O 3.31Å; M1-D62 VanDerWaalsContact SD-C 3.57Å; M1-Q63 VanDerWaalsContact CA-OE1 3.25Å; M1-Q63 HydrophobicContact CG-CB 4.31Å
2I83.1Confident82.9Confident27 Ų2715.9 Ų15.914%0.1388%0.082CC..EExtended strand (participates in β ladder)trans-114.7128.5177.6-56.3169.6000109.9P14 V15 E16 Q64 V380I2-P14 HydrophobicContact CG2-CB 3.75Å; I2-V15 WeakPolarHBondContact CA-O 3.5Å; I2-E16 HydrophobicContact CG1-CG 4.04Å; I2-Q64 PolarHBondContact O-N 2.77Å; I2-V380 HydrophobicContact CB-CG1 4Å; I2-V380 HydrophobicContact CD1-CB 4.16Å; I2-V380 HydrophobicContact CD1-CG1 3.62Å; I2-V380 HydrophobicContact CD1-CG2 3.61Å; I2-V380 HydrophobicContact CG1-CG1 4.4Å; I2-V380 HydrophobicContact CG2-CG1 3.71Å
3V86.6Confident82.9Confident0 Ų015.9 Ų15.90%08%0.081CC..EExtended strand (participates in β ladder)trans-117.2147.4174.1-63.20000110M1 V15 V17 S65M1-V3 HydrophobicContact CE-CG1 3.61Å; V3-V15 HydrophobicContact CG2-CB 4.31Å; V3-V15 PolarHBondContact N-O 2.95Å; V3-V15 PolarHBondContact O-N 3.36Å; V3-V17 HydrophobicContact CG1-CG2 3.86Å; V3-V17 HydrophobicContact CG2-CG1 3.98Å; V3-V17 HydrophobicContact CG2-CG2 3.94Å; V3-S65 WeakPolarHBondContact CA-O 3.34Å
4F85.8Confident83.2Confident4 Ų418.1 Ų18.12%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-96.4123.4176.5-70.6-75000110.3G12 P14 Q64 S65 I66 V67 V380 E382F4-G12 WeakPolarHBondContact CD1-O 3.46Å; F4-P14 HydrophobicContact CD1-CB 4.32Å; F4-P14 HydrophobicContact CE1-CB 4.08Å; F4-Q64 HydrophobicContact CD2-CB 4.29Å; F4-Q64 HydrophobicContact CE2-CB 3.88Å; F4-Q64 HydrophobicContact CE2-CG 3.94Å; F4-S65 PolarHBondContact N-O 3.28Å; F4-I66 HydrophobicContact CB-CG1 4.17Å; F4-I66 CarbonylContact O-C 3.54Å; F4-I66 WeakPolarHBondContact O-CA 3.41Å; F4-V67 PolarHBondContact O-N 3.18Å; F4-V380 HydrophobicContact CZ-CG1 4.04Å; F4-V380 WeakPolarHBondContact CZ-O 3.38Å; F4-E382 HydrophobicContact CB-CG 4.23Å; F4-E382 HydrophobicContact CD1-CG 3.55Å; F4-E382 HydrophobicContact CD2-CG 3.84Å; F4-E382 HydrophobicContact CE1-CG 3.73Å; F4-E382 HydrophobicContact CE2-CG 3.99Å; F4-E382 HydrophobicContact CG-CG 3.6Å; F4-E382 HydrophobicContact CZ-CG 3.95Å
5V86.8Confident83.5Confident0 Ų017.6 Ų17.60%010%0.095CC..EExtended strand (participates in β ladder)trans-104.7115.6-177.7178.70000110.3G12 F13 V15 L26 V30 V67 I69V5-G12 VanDerWaalsContact O-CA 3.32Å; V5-G12 WeakPolarHBondContact O-CA 3.48Å; V5-F13 HydrophobicContact CB-CD2 4.11Å; V5-F13 HydrophobicContact CB-CE1 4.25Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.75Å; V5-F13 HydrophobicContact CG1-CE1 4.12Å; V5-F13 HydrophobicContact CG1-CE2 4.01Å; V5-F13 HydrophobicContact CG1-CZ 3.59Å; V5-F13 HydrophobicContact CG2-CE2 4.3Å; V5-F13 PolarHBondContact N-O 3.11Å; V5-F13 VanDerWaalsContact O-CD1 3.27Å; V5-F13 WeakPolarHBondContact O-CD1 3.19Å; V5-F13 WeakPolarHBondContact O-CE1 3.5Å; V5-F13 PolarHBondContact O-N 3.17Å; V5-F13 VanDerWaalsContact O-N 3.08Å; V5-V15 HydrophobicContact CB-CG2 4.22Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.55Å; V5-L26 HydrophobicContact CG2-CD1 4.33Å; V5-V30 HydrophobicContact CG1-CG2 4.02Å; V5-V30 HydrophobicContact CG2-CG2 4.42Å; V5-V67 CarbonylContact C-O 3.57Å; V5-V67 WeakPolarHBondContact CA-O 3.41Å; V5-V67 HydrophobicContact CB-CG2 4.35Å; V5-V67 HydrophobicContact CG2-CG2 3.73Å; V5-I69 HydrophobicContact CG1-CB 4.26Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.81Å
6R85.8Confident83.7Confident26 Ų2626.9 Ų26.910%0.09814%0.137CC..EExtended strand (participates in β ladder)trans-93.9106.1172.7-70.5-178.5179.5-176.3-7110.9I66 V67 H68 I69 N273 D274 E382R6-I66 HydrophobicContact CG-CG2 4Å; R6-V67 PolarHBondContact N-O 3.03Å; R6-H68 WeakPolarHBondContact O-CA 3.3Å; R6-I69 PolarHBondContact O-N 2.91Å; R6-N273 HydrophobicContact CB-CB 4.37Å; R6-D274 IonicContact CZ-OD1 2.66Å; R6-D274 IonicContact NH1-OD1 3.12Å; R6-D274 PolarHBondContact NH1-OD1 3.49Å; R6-E382 IonicContact CZ-OE1 3.45Å; R6-E382 IonicContact NE-OE1 3.39Å; R6-E382 PolarHBondContact NE-OE1 3.12Å; R6-E382 IonicContact NH2-OE1 3.23Å; R6-E382 PolarHBondContact NH2-OE1 3.25Å
7F85.5Confident83.9Confident13 Ų1325.7 Ų25.76%0.05713%0.131CC..EExtended strand (participates in β ladder)trans-118.6112.3175.6-179-97.2000110.4S9 F13 Q34 V36 L41 I69 Q71F7-S9 PolarHBondContact O-N 2.94Å; F7-F13 HydrophobicContact CB-CE1 4.14Å; F7-Q34 HydrophobicContact CD1-CG 3.81Å; F7-Q34 HydrophobicContact CE1-CB 4.19Å; F7-Q34 HydrophobicContact CE1-CG 3.98Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; F7-V36 HydrophobicContact CZ-CG2 4.37Å; F7-L41 HydrophobicContact CE2-CD2 3.91Å; F7-I69 HydrophobicContact CD2-CB 4.09Å; F7-I69 HydrophobicContact CD2-CG2 3.84Å; F7-I69 VanDerWaalsContact CD2-O 3.3Å; F7-I69 WeakPolarHBondContact CD2-O 3.38Å; F7-I69 HydrophobicContact CE2-CG2 4.33Å; F7-Q71 HydrophobicContact CE2-CB 4.2Å; F7-Q71 HydrophobicContact CZ-CB 4.38Å
8N82.3Confident84.1Confident8 Ų830.2 Ų30.24%0.04316%0.156CC..SBendtrans45.128.1-178-66.1-11.7000115.4E310 Q311 R314N8-E310 PolarHBondContact ND2-OE1 3.06Å; N8-Q311 PolarHBondContact ND2-NE2 3.3Å; N8-Q311 PolarHBondContact OD1-NE2 2.8Å; N8-R314 VanDerWaalsContact C-CZ 3.49Å; N8-R314 PolarHBondContact O-NE 3.07Å; N8-R314 PolarHBondContact O-NH2 3.47Å
9S78.9Confident84.1Confident11 Ų1132.4 Ų32.48%0.07717%0.174CC..SBendtrans-146.6155-176.4-177.30000109.9F7 H11 P333F7-S9 PolarHBondContact O-N 2.94Å; S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact OG-N 2.76Å; S9-P333 PolarHBondContact OG-O 3.2Å
10S76.6Confident84.3Confident26 Ų2636.8 Ų36.818%0.18220%0.197CC..SBendtrans-80.5-10.8172.159.30000113.5N273S10-N273 VanDerWaalsContact CA-O 3.29Å; S10-N273 WeakPolarHBondContact CA-O 3.48Å
11H79.6Confident84.5Confident14 Ų1436 Ų367%0.06519%0.194CC..SBendtrans-103.8133175.9-179.446.9000110.4S9 P333 K369 E382S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact OG-N 2.76Å; H11-P333 HydrophobicContact CB-CB 4.32Å; H11-K369 HydrophobicContact CB-CD 4.28Å; H11-E382 IonicContact CE1-OE2 3.57Å; H11-E382 IonicContact CG-OE2 3.2Å; H11-E382 IonicContact ND1-OE2 3.53Å; H11-E382 PolarHBondContact ND1-OE2 2.98Å
12G81.5Confident84.9Confident0 Ų034.3 Ų34.30%019%0.188CC..PPolyproline II helixtrans-89.9128.6173.600000111F4 V5 E382F4-G12 WeakPolarHBondContact CD1-O 3.46Å; V5-G12 VanDerWaalsContact O-CA 3.32Å; V5-G12 WeakPolarHBondContact O-CA 3.48Å; G12-E382 WeakPolarHBondContact CA-OE1 3.37Å; G12-E382 PolarHBondContact N-OE1 3.15Å; G12-E382 VanDerWaalsContact N-OE1 3.16Å; G12-E382 PolarHBondContact N-OE2 3.01Å
13F82.7Confident85.2Confident16 Ų1633 Ų337%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-86.1144.3171.356.2-97.4000110.3V5 F7 V15 V30V5-F13 HydrophobicContact CB-CD2 4.11Å; V5-F13 HydrophobicContact CB-CE1 4.25Å; V5-F13 HydrophobicContact CB-CE2 3.68Å; V5-F13 HydrophobicContact CB-CZ 3.75Å; V5-F13 HydrophobicContact CG1-CE1 4.12Å; V5-F13 HydrophobicContact CG1-CE2 4.01Å; V5-F13 HydrophobicContact CG1-CZ 3.59Å; V5-F13 HydrophobicContact CG2-CE2 4.3Å; V5-F13 PolarHBondContact N-O 3.11Å; V5-F13 VanDerWaalsContact O-CD1 3.27Å; V5-F13 WeakPolarHBondContact O-CD1 3.19Å; V5-F13 WeakPolarHBondContact O-CE1 3.5Å; V5-F13 PolarHBondContact O-N 3.17Å; V5-F13 VanDerWaalsContact O-N 3.08Å; F7-F13 HydrophobicContact CB-CE1 4.14Å; F13-V15 HydrophobicContact CD2-CG2 3.64Å; F13-V15 HydrophobicContact CE2-CG2 3.48Å; F13-V15 VanDerWaalsContact CE2-CG2 3.48Å; F13-V30 HydrophobicContact CE2-CG2 4.26Å; F13-V30 HydrophobicContact CZ-CG1 4.17Å; F13-V30 HydrophobicContact CZ-CG2 4.2Å
14P86.9Confident85.4Confident46 Ų4636.9 Ų36.930%0.29920%0.199SC..EExtended strand (participates in β ladder)trans-70.6139.417928.2-33.5000111.3I2 F4 E370I2-P14 HydrophobicContact CG2-CB 3.75Å; F4-P14 HydrophobicContact CD1-CB 4.32Å; F4-P14 HydrophobicContact CE1-CB 4.08Å; P14-E370 WeakPolarHBondContact CD-OE1 3.26Å
15V87.1Confident85.6Confident11 Ų1141 Ų417%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-132.1128.1171.3-178.10000109I2 V3 V5 F13 V17 L26 V29I2-V15 WeakPolarHBondContact CA-O 3.5Å; V3-V15 HydrophobicContact CG2-CB 4.31Å; V3-V15 PolarHBondContact N-O 2.95Å; V3-V15 PolarHBondContact O-N 3.36Å; V5-V15 HydrophobicContact CB-CG2 4.22Å; V5-V15 HydrophobicContact CG2-CB 4.11Å; V5-V15 HydrophobicContact CG2-CG2 3.55Å; F13-V15 HydrophobicContact CD2-CG2 3.64Å; F13-V15 HydrophobicContact CE2-CG2 3.48Å; F13-V15 VanDerWaalsContact CE2-CG2 3.48Å; V15-V17 HydrophobicContact CG1-CG1 4.14Å; V15-L26 HydrophobicContact CB-CD1 4.5Å; V15-L26 HydrophobicContact CG1-CD1 3.93Å; V15-V29 HydrophobicContact CG1-CG1 4.04Å
16E87.4Confident85.7Confident167 Ų16741.1 Ų41.178%0.7822%0.218SC*.EExtended strand (participates in β ladder)trans-78.3127.2172.9-73176.4-174.300110M1 I2M1-E16 WeakPolarHBondContact O-CA 3.43Å; I2-E16 HydrophobicContact CG1-CG 4.04Å
17V87.3Confident85.9Confident6 Ų640.3 Ų40.34%0.03622%0.216CC..  trans-136.5146.7178.4-62.50000110.5M1 V3 V15 T21 L26 V56M1-V17 CarbonylContact C-O 3.6Å; M1-V17 WeakPolarHBondContact CA-O 3.21Å; M1-V17 HydrophobicContact CB-CG2 4.36Å; M1-V17 WeakPolarHBondContact CB-O 3.46Å; M1-V17 HydrophobicContact CE-CG2 3.89Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 PolarHBondContact O-N 2.86Å; V3-V17 HydrophobicContact CG1-CG2 3.86Å; V3-V17 HydrophobicContact CG2-CG1 3.98Å; V3-V17 HydrophobicContact CG2-CG2 3.94Å; V15-V17 HydrophobicContact CG1-CG1 4.14Å; V17-T21 HydrophobicContact CB-CG2 4.41Å; V17-T21 HydrophobicContact CG1-CG2 4.44Å; V17-L26 HydrophobicContact CG1-CD1 3.96Å; V17-V56 HydrophobicContact CB-CG2 4.23Å; V17-V56 HydrophobicContact CG2-CG1 4.34Å; V17-V56 HydrophobicContact CG2-CG2 4.15Å
18D88.2Confident86.1Confident107 Ų10743.2 Ų43.257%0.57223%0.23SC*.  trans-97.9163.1173.4-64-42000110.9D20 T21D18-D20 WeakPolarHBondContact CB-OD1 3.04Å; D18-D20 PolarHBondContact O-N 3.4Å; D18-T21 WeakPolarHBondContact CA-OG1 3.31Å; D18-T21 WeakPolarHBondContact CB-OG1 3.49Å; D18-T21 PolarHBondContact N-OG1 3.02Å; D18-T21 WeakPolarHBondContact O-CB 3.19Å; D18-T21 PolarHBondContact O-N 3.26Å; D18-T21 PolarHBondContact O-OG1 3Å
19S83.8Confident86.5Confident71 Ų7146.5 Ų46.550%0.49725%0.249SC..THydrogen-bonded Turntrans-64.7-29.3-175.5-53.30000113.2Q57S19-Q57 WeakPolarHBondContact O-CB 3.4Å; S19-Q57 PolarHBondContact O-N 3.13Å
20D87.1Confident86.9Confident120 Ų12046 Ų4664%0.64225%0.246SC*.THydrogen-bonded Turntrans-87.6-7.117665.4-23000113.2D18 S22D18-D20 WeakPolarHBondContact CB-OD1 3.04Å; D18-D20 PolarHBondContact O-N 3.4Å; D20-S22 PolarHBondContact O-N 3.16Å
21T88.3Confident87.5Confident21 Ų2145.2 Ų45.213%0.12924%0.241CC..  trans-60.9127177.4-60.70000109.3V17 D18 Q25 T55 V56V17-T21 HydrophobicContact CB-CG2 4.41Å; V17-T21 HydrophobicContact CG1-CG2 4.44Å; D18-T21 WeakPolarHBondContact CA-OG1 3.31Å; D18-T21 WeakPolarHBondContact CB-OG1 3.49Å; D18-T21 PolarHBondContact N-OG1 3.02Å; D18-T21 WeakPolarHBondContact O-CB 3.19Å; D18-T21 PolarHBondContact O-N 3.26Å; D18-T21 PolarHBondContact O-OG1 3Å; T21-Q25 HydrophobicContact CG2-CB 3.96Å; T21-T55 WeakPolarHBondContact O-CA 3.25Å; T21-V56 WeakPolarHBondContact O-CG2 3.3Å; T21-V56 PolarHBondContact O-N 3.12Å
22S91.2Very high88Confident26 Ų2652.6 Ų52.618%0.18227%0.273CS..BIsolated β-bridgetrans-78.5153.7175.863.60000111.5D20 F24 Q25 L26 W54D20-S22 PolarHBondContact O-N 3.16Å; S22-F24 PolarHBondContact O-N 3.19Å; S22-Q25 PolarHBondContact O-N 3.04Å; S22-Q25 VanDerWaalsContact O-N 3.11Å; S22-Q25 VanDerWaalsContact OG-CD 3.31Å; S22-Q25 VanDerWaalsContact OG-CG 3.26Å; S22-Q25 WeakPolarHBondContact OG-CG 3.39Å; S22-Q25 PolarHBondContact OG-N 3.47Å; S22-Q25 VanDerWaalsContact OG-N 3.17Å; S22-Q25 PolarHBondContact OG-OE1 2.96Å; S22-L26 PolarHBondContact O-N 2.73Å; S22-L26 VanDerWaalsContact O-N 3.1Å; S22-W54 WeakPolarHBondContact CA-O 3.41Å
23I90.3Very high88.2Confident0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-60.6-29.7172.6-63-58.5000111.5L26 K27 V43 L50 R51 W54I23-L26 PolarHBondContact O-N 3.41Å; I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.35Å; I23-V43 HydrophobicContact CG2-CB 3.94Å; I23-V43 HydrophobicContact CG2-CG1 4.39Å; I23-V43 HydrophobicContact CG2-CG2 3.86Å; I23-L50 HydrophobicContact CD1-CB 4.2Å; I23-L50 HydrophobicContact CD1-CD1 3.69Å; I23-L50 HydrophobicContact CG1-CB 4.06Å; I23-L50 HydrophobicContact CG1-CD1 4.41Å; I23-L50 HydrophobicContact CG2-CB 4.18Å; I23-R51 VanDerWaalsContact CB-O 3.3Å; I23-R51 WeakPolarHBondContact CB-O 3.48Å; I23-W54 HydrophobicContact CG1-CB 4.32Å; I23-W54 WeakPolarHBondContact CG1-O 3.44Å; I23-W54 PolarHBondContact N-O 2.85Å
24F89.8Confident88.3Confident82 Ų8261 Ų6136%0.3631%0.307SS..Hα-helixtrans-64.2-45.8173.1-173.4-102.1000112.4S22 L26 K27 E28 N52S22-F24 PolarHBondContact O-N 3.19Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.46Å; F24-K27 WeakPolarHBondContact O-CB 3.4Å; F24-K27 PolarHBondContact O-N 3.21Å; F24-K27 VanDerWaalsContact O-N 3.1Å; F24-E28 HydrophobicContact CD1-CG 4.26Å; F24-E28 HydrophobicContact CE1-CG 3.89Å; F24-E28 HydrophobicContact CZ-CG 4.27Å; F24-E28 PolarHBondContact O-N 3.46Å; F24-N52 HydrophobicContact CB-CB 4.21Å
25Q90.1Very high88.2Confident90 Ų9062.3 Ų62.342%0.42133%0.328SS..Hα-helixtrans-61.5-40.1175.8-74.9162.2-33.500111.7T21 S22 K27 E28 V29T21-Q25 HydrophobicContact CG2-CB 3.96Å; S22-Q25 PolarHBondContact O-N 3.04Å; S22-Q25 VanDerWaalsContact O-N 3.11Å; S22-Q25 VanDerWaalsContact OG-CD 3.31Å; S22-Q25 VanDerWaalsContact OG-CG 3.26Å; S22-Q25 WeakPolarHBondContact OG-CG 3.39Å; S22-Q25 PolarHBondContact OG-N 3.47Å; S22-Q25 VanDerWaalsContact OG-N 3.17Å; S22-Q25 PolarHBondContact OG-OE1 2.96Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 3.27Å; Q25-E28 WeakPolarHBondContact O-CB 3.11Å; Q25-E28 PolarHBondContact O-N 3.2Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; Q25-V29 WeakPolarHBondContact O-CG2 3.41Å; Q25-V29 PolarHBondContact O-N 3.27Å
26L89.4Confident88.2Confident2 Ų262.8 Ų62.81%0.0133%0.331CS..Hα-helixtrans-59.2-41.6173.6178.461.1000111.8V5 V15 V17 S22 I23 F24 V29 V30 V67V5-L26 HydrophobicContact CG2-CD1 4.33Å; V15-L26 HydrophobicContact CB-CD1 4.5Å; V15-L26 HydrophobicContact CG1-CD1 3.93Å; V17-L26 HydrophobicContact CG1-CD1 3.96Å; S22-L26 PolarHBondContact O-N 2.73Å; S22-L26 VanDerWaalsContact O-N 3.1Å; I23-L26 PolarHBondContact O-N 3.41Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 3.06Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.1Å; L26-V67 HydrophobicContact CD2-CG2 4.44Å
27K90.3Very high88.2Confident10 Ų1057.9 Ų57.94%0.04331%0.314CS..Hα-helixtrans-62.6-41.3173.8-71.3175.8-178.6-172.30111.7I23 F24 Q25 V30 A31 A38 L41 V43 N52I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.35Å; F24-K27 WeakPolarHBondContact O-CB 3.4Å; F24-K27 PolarHBondContact O-N 3.21Å; F24-K27 VanDerWaalsContact O-N 3.1Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 3.27Å; K27-V30 PolarHBondContact O-N 2.97Å; K27-A31 WeakPolarHBondContact O-CB 3.4Å; K27-A31 PolarHBondContact O-N 3.1Å; K27-A38 HydrophobicContact CB-CB 4.42Å; K27-L41 HydrophobicContact CB-CB 4.41Å; K27-L41 HydrophobicContact CB-CD1 4.42Å; K27-L41 HydrophobicContact CD-CB 4.26Å; K27-L41 WeakPolarHBondContact CD-O 3.5Å; K27-L41 WeakPolarHBondContact CE-O 3.47Å; K27-L41 HydrophobicContact CG-CB 4.11Å; K27-L41 PolarHBondContact NZ-O 3.24Å; K27-L41 WeakPolarHBondContact O-CD1 3.36Å; K27-V43 HydrophobicContact CD-CG2 4.26Å; K27-V43 HydrophobicContact CG-CG2 3.65Å; K27-N52 WeakPolarHBondContact CE-OD1 3.41Å; K27-N52 PolarHBondContact NZ-OD1 2.79Å
28E89.9Confident88.2Confident74 Ų7458.6 Ų58.635%0.34632%0.32SS..Hα-helixtrans-63.7-40.5178-71-168.4115.200112.8F24 Q25 V30 A31 K32 A38F24-E28 HydrophobicContact CD1-CG 4.26Å; F24-E28 HydrophobicContact CE1-CG 3.89Å; F24-E28 HydrophobicContact CZ-CG 4.27Å; F24-E28 PolarHBondContact O-N 3.46Å; Q25-E28 WeakPolarHBondContact O-CB 3.11Å; Q25-E28 PolarHBondContact O-N 3.2Å; Q25-E28 VanDerWaalsContact O-N 3.13Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 3Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.38Å; E28-K32 PolarHBondContact O-N 3.47Å; E28-A38 HydrophobicContact CG-CB 4.35Å
29V90.3Very high88.1Confident76 Ų7659.3 Ų59.346%0.46132%0.324SS..Hα-helixtrans-60.5-45.7176172.30000110.2V15 Q25 L26 R33V15-V29 HydrophobicContact CG1-CG1 4.04Å; Q25-V29 WeakPolarHBondContact O-CG2 3.41Å; Q25-V29 PolarHBondContact O-N 3.27Å; L26-V29 PolarHBondContact O-N 3.06Å; V29-R33 PolarHBondContact O-N 3.49Å; V29-R33 VanDerWaalsContact O-N 3.11Å
30V88.3Confident88.2Confident1 Ų158.3 Ų58.31%0.00631%0.311CS..Hα-helixtrans-73.2-37.2-178.9176.20000111.6V5 F13 L26 K27 E28 K32 R33 Q34 L41 I69V5-V30 HydrophobicContact CG1-CG2 4.02Å; V5-V30 HydrophobicContact CG2-CG2 4.42Å; F13-V30 HydrophobicContact CE2-CG2 4.26Å; F13-V30 HydrophobicContact CZ-CG1 4.17Å; F13-V30 HydrophobicContact CZ-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.1Å; K27-V30 PolarHBondContact O-N 2.97Å; E28-V30 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 3Å; V30-K32 PolarHBondContact O-N 3.48Å; V30-R33 PolarHBondContact O-N 3.31Å; V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 2.95Å; V30-Q34 PolarHBondContact O-N 3.19Å; V30-L41 HydrophobicContact CG1-CD1 4.4Å; V30-I69 HydrophobicContact CB-CD1 3.91Å; V30-I69 HydrophobicContact CG1-CD1 3.93Å; V30-I69 HydrophobicContact CG1-CG2 4.4Å; V30-I69 HydrophobicContact CG2-CD1 3.67Å
31A89.2Confident88.2Confident10 Ų1052.7 Ų52.78%0.08328%0.281CS..Hα-helixtrans-56.7-47.917300000111.6K27 E28 R33 Q34 G35 V36 A38 L41K27-A31 WeakPolarHBondContact O-CB 3.4Å; K27-A31 PolarHBondContact O-N 3.1Å; E28-A31 PolarHBondContact O-N 3.36Å; A31-R33 PolarHBondContact O-N 3.43Å; A31-Q34 PolarHBondContact O-N 2.77Å; A31-G35 WeakPolarHBondContact O-CA 3.03Å; A31-G35 PolarHBondContact O-N 3.33Å; A31-V36 VanDerWaalsContact CA-O 3.24Å; A31-V36 WeakPolarHBondContact CA-O 3.44Å; A31-V36 WeakPolarHBondContact CB-O 3.4Å; A31-V36 PolarHBondContact O-N 3.18Å; A31-V36 VanDerWaalsContact O-N 3.13Å; A31-A38 HydrophobicContact CB-CB 3.84Å; A31-L41 HydrophobicContact CB-CD1 3.95Å
32K89.1Confident88Confident169 Ų16953.1 Ų53.174%0.73528%0.281SS*.Hα-helixtrans-63.5-40.5176.5-72.4173.1-174.8173.40112E28 V30E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.38Å; E28-K32 PolarHBondContact O-N 3.47Å; V30-K32 PolarHBondContact O-N 3.48Å
33R86.4Confident87.9Confident138 Ų13851.9 Ų51.952%0.52127%0.272SS..Hα-helixtrans-69.3-36.9-179.5-171.1173.4-178.1172.9-1.3112.9V29 V30 A31V29-R33 PolarHBondContact O-N 3.49Å; V29-R33 VanDerWaalsContact O-N 3.11Å; V30-R33 PolarHBondContact O-N 3.31Å; A31-R33 PolarHBondContact O-N 3.43Å
34Q84.7Confident87.6Confident55 Ų5552 Ų5226%0.25727%0.273SS..Hα-helixtrans-98.2-10.1-175.8-59-63.5-5.500113.7F7 V30 A31 V36F7-Q34 HydrophobicContact CD1-CG 3.81Å; F7-Q34 HydrophobicContact CE1-CB 4.19Å; F7-Q34 HydrophobicContact CE1-CG 3.98Å; F7-Q34 HydrophobicContact CG-CG 4.3Å; V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 WeakPolarHBondContact O-CG 2.95Å; V30-Q34 PolarHBondContact O-N 3.19Å; A31-Q34 PolarHBondContact O-N 2.77Å; Q34-V36 HydrophobicContact CB-CG2 4.22Å
35G84.5Confident87.3Confident72 Ų7249.7 Ų49.774%0.74226%0.262SS*.THydrogen-bonded Turntrans70.930.3-176.800000113.7A31A31-G35 WeakPolarHBondContact O-CA 3.03Å; A31-G35 PolarHBondContact O-N 3.33Å
36V86.1Confident86.6Confident22 Ų2247.1 Ų47.113%0.13326%0.257CS..  trans-116.7142.7-176.5178.10000110.2F7 A31 Q34 A38 L41 Q71F7-V36 HydrophobicContact CZ-CG2 4.37Å; A31-V36 VanDerWaalsContact CA-O 3.24Å; A31-V36 WeakPolarHBondContact CA-O 3.44Å; A31-V36 WeakPolarHBondContact CB-O 3.4Å; A31-V36 PolarHBondContact O-N 3.18Å; A31-V36 VanDerWaalsContact O-N 3.13Å; Q34-V36 HydrophobicContact CB-CG2 4.22Å; V36-A38 PolarHBondContact O-N 2.96Å; V36-L41 HydrophobicContact CB-CD2 4.48Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å; V36-Q71 VanDerWaalsContact CG1-CD 3.41Å; V36-Q71 HydrophobicContact CG1-CG 3.89Å
37P87.9Confident85.6Confident64 Ų6448.2 Ų48.242%0.41627%0.268SS..  trans-60.8132.4176.1-25.236.5000113.5D39 Q40P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.01Å; P37-D39 PolarHBondContact O-N 2.83Å; P37-Q40 HydrophobicContact CB-CG 4.2Å; P37-Q40 PolarHBondContact O-N 3.5Å; P37-Q40 VanDerWaalsContact O-N 3.14Å
38A87.8Confident84.9Confident20 Ų2054.5 Ų54.517%0.16530%0.296CS..G310 helixtrans-65.6-27.4-175.100000113.9K27 E28 A31 V36 Q40 L41K27-A38 HydrophobicContact CB-CB 4.42Å; E28-A38 HydrophobicContact CG-CB 4.35Å; A31-A38 HydrophobicContact CB-CB 3.84Å; V36-A38 PolarHBondContact O-N 2.96Å; A38-Q40 PolarHBondContact O-N 3.13Å; A38-L41 PolarHBondContact O-N 3.47Å
39D85.4Confident84.6Confident122 Ų12254.3 Ų54.365%0.65230%0.295SS*.G310 helixtrans-67-21.8175.965.5-42000113P37P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.01Å; P37-D39 PolarHBondContact O-N 2.83Å
40Q85.5Confident84.4Confident50 Ų5051 Ų5123%0.23428%0.275CS..G310 helixtrans-89.5-5.7176.2-58.8-179.211.500113P37 A38 Q71 R72 P73P37-Q40 HydrophobicContact CB-CG 4.2Å; P37-Q40 PolarHBondContact O-N 3.5Å; P37-Q40 VanDerWaalsContact O-N 3.14Å; A38-Q40 PolarHBondContact O-N 3.13Å; Q40-Q71 HydrophobicContact CB-CG 4.14Å; Q40-Q71 CarbonylContact O-C 3.59Å; Q40-Q71 WeakPolarHBondContact O-CA 3.45Å; Q40-R72 CarbonylContact O-C 3.56Å; Q40-R72 PolarHBondContact O-N 3.43Å; Q40-P73 HydrophobicContact CG-CB 4.37Å
41L87.4Confident84.3Confident3 Ų357.9 Ų57.92%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-92.1135.2-176.8-59.7-177.6000111.2F7 K27 V30 A31 V36 A38 I69 Q71F7-L41 HydrophobicContact CE2-CD2 3.91Å; K27-L41 HydrophobicContact CB-CB 4.41Å; K27-L41 HydrophobicContact CB-CD1 4.42Å; K27-L41 HydrophobicContact CD-CB 4.26Å; K27-L41 WeakPolarHBondContact CD-O 3.5Å; K27-L41 WeakPolarHBondContact CE-O 3.47Å; K27-L41 HydrophobicContact CG-CB 4.11Å; K27-L41 PolarHBondContact NZ-O 3.24Å; K27-L41 WeakPolarHBondContact O-CD1 3.36Å; V30-L41 HydrophobicContact CG1-CD1 4.4Å; A31-L41 HydrophobicContact CB-CD1 3.95Å; V36-L41 HydrophobicContact CB-CD2 4.48Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å; A38-L41 PolarHBondContact O-N 3.47Å; L41-I69 HydrophobicContact CB-CG2 3.95Å; L41-I69 HydrophobicContact CD1-CG2 4.23Å; L41-I69 HydrophobicContact CD2-CG2 3.89Å; L41-I69 HydrophobicContact CG-CG2 4.24Å; L41-Q71 HydrophobicContact CD2-CB 4.3Å
42R85.5Confident84.1Confident29 Ų2961 Ų6111%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-119.9127.2173.3-59.1-167.9126.4-130.3-27.6109.4E49 I69 V70 W74 L266R42-E49 IonicContact CZ-OE1 2.89Å; R42-E49 IonicContact CZ-OE2 3.21Å; R42-E49 IonicContact NE-OE1 3.68Å; R42-E49 PolarHBondContact NE-OE1 2.73Å; R42-E49 IonicContact NE-OE2 3.83Å; R42-E49 IonicContact NH1-OE1 3.91Å; R42-E49 PolarHBondContact NH1-OE1 3.04Å; R42-E49 IonicContact NH1-OE2 2.65Å; R42-E49 PolarHBondContact NH1-OE2 3.4Å; R42-E49 IonicContact NH2-OE1 3.99Å; R42-E49 PolarHBondContact NH2-OE1 3.41Å; R42-E49 IonicContact NH2-OE2 3.08Å; R42-E49 PolarHBondContact NH2-OE2 2.84Å; R42-I69 WeakPolarHBondContact O-CA 3.19Å; R42-V70 PolarHBondContact N-O 2.91Å; R42-V70 PolarHBondContact O-N 3.23Å; R42-W74 VanDerWaalsContact CZ-CZ3 3.46Å; R42-L266 HydrophobicContact CB-CD2 4.15Å
43V87.6Confident84.1Confident0 Ų057.6 Ų57.60%031%0.306CS..EExtended strand (participates in β ladder)trans-97.8129.3-179.8179.30000108I23 K27 E49 L50 V67 H68 I69I23-V43 HydrophobicContact CG2-CB 3.94Å; I23-V43 HydrophobicContact CG2-CG1 4.39Å; I23-V43 HydrophobicContact CG2-CG2 3.86Å; K27-V43 HydrophobicContact CD-CG2 4.26Å; K27-V43 HydrophobicContact CG-CG2 3.65Å; V43-E49 WeakPolarHBondContact O-CA 3.4Å; V43-L50 HydrophobicContact CB-CB 4.45Å; V43-L50 HydrophobicContact CG1-CB 4.33Å; V43-L50 HydrophobicContact CG1-CD1 3.99Å; V43-L50 HydrophobicContact CG1-CG 4.39Å; V43-L50 PolarHBondContact O-N 2.63Å; V43-V67 HydrophobicContact CG1-CB 4.36Å; V43-H68 CarbonylContact C-O 3.55Å; V43-H68 WeakPolarHBondContact CA-O 3.07Å; V43-I69 HydrophobicContact CG2-CD1 4.02Å; V43-I69 HydrophobicContact CG2-CG1 3.94Å
44I85.1Confident84.1Confident4 Ų455.7 Ų55.72%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-126.3128-178.2-46.9160.7000108.1K48 H68 V70 L266 T270I44-K48 CarbonylContact C-O 3.45Å; I44-K48 VanDerWaalsContact CA-O 3.31Å; I44-K48 WeakPolarHBondContact CA-O 3.47Å; I44-K48 WeakPolarHBondContact CG2-O 3.41Å; I44-H68 HydrophobicContact CB-CB 4.21Å; I44-H68 PolarHBondContact N-O 2.94Å; I44-H68 PolarHBondContact O-N 3.43Å; I44-V70 HydrophobicContact CD1-CB 4.46Å; I44-V70 HydrophobicContact CD1-CG2 3.65Å; I44-L266 HydrophobicContact CD1-CB 3.96Å; I44-L266 HydrophobicContact CD1-CD2 3.43Å; I44-L266 VanDerWaalsContact CD1-CD2 3.43Å; I44-L266 HydrophobicContact CD1-CG 4.28Å; I44-L266 HydrophobicContact CG1-CD2 3.97Å; I44-T270 HydrophobicContact CB-CG2 4.2Å; I44-T270 HydrophobicContact CD1-CG2 3.38Å; I44-T270 HydrophobicContact CG1-CG2 4.42Å; I44-T270 HydrophobicContact CG2-CG2 4Å
45F83.8Confident84.3Confident32 Ų3254.8 Ų54.814%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-128.5132.8174.9178.7-119.3000109.4G47 K48 L50 L61 I66 V67F45-G47 PolarHBondContact O-N 3.11Å; F45-K48 PolarHBondContact N-O 2.89Å; F45-K48 PolarHBondContact O-N 2.97Å; F45-K48 VanDerWaalsContact O-O 3.12Å; F45-L50 HydrophobicContact CB-CD1 3.74Å; F45-L50 HydrophobicContact CB-CD2 4.18Å; F45-L50 HydrophobicContact CB-CG 4Å; F45-L61 HydrophobicContact CB-CD2 4.38Å; F45-L61 HydrophobicContact CD1-CD2 3.74Å; F45-L61 HydrophobicContact CD2-CD2 3.55Å; F45-L61 HydrophobicContact CE1-CD2 3.8Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.62Å; F45-L61 HydrophobicContact CZ-CD2 3.74Å; F45-I66 WeakPolarHBondContact CD2-O 3.48Å; F45-V67 HydrophobicContact CB-CG1 4.3Å; F45-V67 HydrophobicContact CD2-CG1 3.98Å; F45-V67 HydrophobicContact CG-CG1 4.44Å
46A75.4Confident84.3Confident36 Ų3651.5 Ų51.530%0.29826%0.262SS..THydrogen-bonded Turntrans45.240.4-174.600000113K48 Q389 Y391A46-K48 PolarHBondContact O-N 3.21Å; A46-Q389 HydrophobicContact CB-CB 4.41Å; A46-Y391 VanDerWaalsContact O-CD2 3.32Å; A46-Y391 WeakPolarHBondContact O-CD2 2.99Å
47G67.5Low84Confident25 Ų2556.9 Ų56.926%0.25829%0.286SS..THydrogen-bonded Turntrans67.47-178.300000116.9F45 Y391F45-G47 PolarHBondContact O-N 3.11Å; G47-Y391 VanDerWaalsContact CA-CD2 3.44Å; G47-Y391 WeakPolarHBondContact O-CE2 3.35Å
48K75.3Confident83.7Confident143 Ų14358.9 Ų58.962%0.62229%0.293SS*.EExtended strand (participates in β ladder)trans-103.7141.3170.7-65.1-178.5-178.4177.20110.3I44 F45 A46I44-K48 CarbonylContact C-O 3.45Å; I44-K48 VanDerWaalsContact CA-O 3.31Å; I44-K48 WeakPolarHBondContact CA-O 3.47Å; I44-K48 WeakPolarHBondContact CG2-O 3.41Å; F45-K48 PolarHBondContact N-O 2.89Å; F45-K48 PolarHBondContact O-N 2.97Å; F45-K48 VanDerWaalsContact O-O 3.12Å; A46-K48 PolarHBondContact O-N 3.21Å
49E83.2Confident83.1Confident69 Ų6958.5 Ų58.532%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-75.8132.5174.8-176.5176.8-177.300110.6R42 V43R42-E49 IonicContact CZ-OE1 2.89Å; R42-E49 IonicContact CZ-OE2 3.21Å; R42-E49 IonicContact NE-OE1 3.68Å; R42-E49 PolarHBondContact NE-OE1 2.73Å; R42-E49 IonicContact NE-OE2 3.83Å; R42-E49 IonicContact NH1-OE1 3.91Å; R42-E49 PolarHBondContact NH1-OE1 3.04Å; R42-E49 IonicContact NH1-OE2 2.65Å; R42-E49 PolarHBondContact NH1-OE2 3.4Å; R42-E49 IonicContact NH2-OE1 3.99Å; R42-E49 PolarHBondContact NH2-OE1 3.41Å; R42-E49 IonicContact NH2-OE2 3.08Å; R42-E49 PolarHBondContact NH2-OE2 2.84Å; V43-E49 WeakPolarHBondContact O-CA 3.4Å
50L86.3Confident82.9Confident8 Ų858.9 Ų58.94%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-91.4133.9175.2-57.2-175.1000110.4I23 V43 F45 W54 C59 L61I23-L50 HydrophobicContact CD1-CB 4.2Å; I23-L50 HydrophobicContact CD1-CD1 3.69Å; I23-L50 HydrophobicContact CG1-CB 4.06Å; I23-L50 HydrophobicContact CG1-CD1 4.41Å; I23-L50 HydrophobicContact CG2-CB 4.18Å; V43-L50 HydrophobicContact CB-CB 4.45Å; V43-L50 HydrophobicContact CG1-CB 4.33Å; V43-L50 HydrophobicContact CG1-CD1 3.99Å; V43-L50 HydrophobicContact CG1-CG 4.39Å; V43-L50 PolarHBondContact O-N 2.63Å; F45-L50 HydrophobicContact CB-CD1 3.74Å; F45-L50 HydrophobicContact CB-CD2 4.18Å; F45-L50 HydrophobicContact CB-CG 4Å; L50-W54 HydrophobicContact CD2-CE3 4.13Å; L50-W54 HydrophobicContact CD2-CZ3 4.14Å; L50-C59 HydrophobicContact CD1-CB 4.08Å; L50-C59 HydrophobicContact CD2-CB 4.27Å; L50-L61 HydrophobicContact CD1-CD1 4.43Å
51R85.9Confident82.6Confident145 Ų14556.9 Ų56.955%0.54728%0.282SS..PPolyproline II helixtrans-81.3152.2-179-58.5174.350.2155.2-2.1111.5I23 D53 W54I23-R51 VanDerWaalsContact CB-O 3.3Å; I23-R51 WeakPolarHBondContact CB-O 3.48Å; R51-D53 WeakPolarHBondContact CB-OD1 3.35Å; R51-D53 IonicContact CZ-OD1 3.71Å; R51-D53 IonicContact CZ-OD2 3.57Å; R51-D53 IonicContact NE-OD1 3.02Å; R51-D53 PolarHBondContact NE-OD1 3.45Å; R51-D53 IonicContact NE-OD2 3.52Å; R51-D53 IonicContact NH2-OD1 3.55Å; R51-D53 IonicContact NH2-OD2 3.12Å; R51-D53 PolarHBondContact NH2-OD2 3.23Å; R51-D53 VanDerWaalsContact NH2-OD2 3.12Å; R51-D53 PolarHBondContact O-N 2.84Å; R51-W54 HydrophobicContact CB-CD2 4.29Å; R51-W54 HydrophobicContact CB-CG 4.24Å; R51-W54 HydrophobicContact CG-CZ2 4.46Å; R51-W54 PolarHBondContact O-N 2.83Å
52N86.9Confident82.2Confident74 Ų7462.3 Ų62.340%0.39631%0.311SS..THydrogen-bonded Turntrans-62.1-29.9-178.2-71.3-5000113.4F24 K27 W54F24-N52 HydrophobicContact CB-CB 4.21Å; K27-N52 WeakPolarHBondContact CE-OD1 3.41Å; K27-N52 PolarHBondContact NZ-OD1 2.79Å; N52-W54 VanDerWaalsContact C-N 3.31Å
53D87.3Confident81.9Confident99 Ų9965.6 Ų65.653%0.52933%0.328SS..THydrogen-bonded Turntrans-79.7-8.3-178.952-47.4000113.8R51R51-D53 WeakPolarHBondContact CB-OD1 3.35Å; R51-D53 IonicContact CZ-OD1 3.71Å; R51-D53 IonicContact CZ-OD2 3.57Å; R51-D53 IonicContact NE-OD1 3.02Å; R51-D53 PolarHBondContact NE-OD1 3.45Å; R51-D53 IonicContact NE-OD2 3.52Å; R51-D53 IonicContact NH2-OD1 3.55Å; R51-D53 IonicContact NH2-OD2 3.12Å; R51-D53 PolarHBondContact NH2-OD2 3.23Å; R51-D53 VanDerWaalsContact NH2-OD2 3.12Å; R51-D53 PolarHBondContact O-N 2.84Å
54W87Confident81.5Confident98 Ų9869.7 Ų69.737%0.37135%0.347SS..  trans-85.2145.9178.6-65.91.5000111.2S22 I23 L50 R51 N52S22-W54 WeakPolarHBondContact CA-O 3.41Å; I23-W54 HydrophobicContact CG1-CB 4.32Å; I23-W54 WeakPolarHBondContact CG1-O 3.44Å; I23-W54 PolarHBondContact N-O 2.85Å; L50-W54 HydrophobicContact CD2-CE3 4.13Å; L50-W54 HydrophobicContact CD2-CZ3 4.14Å; R51-W54 HydrophobicContact CB-CD2 4.29Å; R51-W54 HydrophobicContact CB-CG 4.24Å; R51-W54 HydrophobicContact CG-CZ2 4.46Å; R51-W54 PolarHBondContact O-N 2.83Å; N52-W54 VanDerWaalsContact C-N 3.31Å
55T88.8Confident81.4Confident36 Ų3670.4 Ų70.422%0.22135%0.352CS..BIsolated β-bridgetrans-92.6160.8170.558.20000110.1T21 Q57 N58 C59T21-T55 WeakPolarHBondContact O-CA 3.25Å; T55-Q57 PolarHBondContact O-N 3.31Å; T55-N58 PolarHBondContact O-N 2.91Å; T55-N58 VanDerWaalsContact OG1-CG 3.25Å; T55-N58 PolarHBondContact OG1-N 3.36Å; T55-N58 PolarHBondContact OG1-ND2 2.89Å; T55-C59 PolarHBondContact O-N 3.08Å; T55-C59 PolarHBondContact O-SG 3.18Å
56V84.2Confident81.4Confident2 Ų271 Ų711%0.01236%0.356CS..THydrogen-bonded Turntrans-52.1-42.2173.9168.90000111.4M1 V17 T21 N58 C59 L61M1-V56 HydrophobicContact CE-CG1 3.27Å; M1-V56 HydrophobicContact SD-CG1 4.44Å; V17-V56 HydrophobicContact CB-CG2 4.23Å; V17-V56 HydrophobicContact CG2-CG1 4.34Å; V17-V56 HydrophobicContact CG2-CG2 4.15Å; T21-V56 WeakPolarHBondContact O-CG2 3.3Å; T21-V56 PolarHBondContact O-N 3.12Å; V56-N58 PolarHBondContact O-N 2.79Å; V56-C59 PolarHBondContact O-N 2.97Å; V56-L61 HydrophobicContact CG1-CB 3.94Å; V56-L61 HydrophobicContact CG1-CD1 4.29Å; V56-L61 HydrophobicContact CG2-CD1 4.38Å
57Q79.8Confident82Confident136 Ų13669.3 Ų69.364%0.63634%0.342SS*.G310 helixtrans-62.5-39.1176.8-171.9176.56.600113.2S19 T55 C59 D60S19-Q57 WeakPolarHBondContact O-CB 3.4Å; S19-Q57 PolarHBondContact O-N 3.13Å; T55-Q57 PolarHBondContact O-N 3.31Å; Q57-C59 PolarHBondContact O-N 3.4Å; Q57-D60 PolarHBondContact O-N 3.14Å
58N82.4Confident82.9Confident106 Ų10668.7 Ų68.757%0.56733%0.332SS*.G310 helixtrans-72.9-15.9178.6-70.1-6.6000113.2T55 V56T55-N58 PolarHBondContact O-N 2.91Å; T55-N58 VanDerWaalsContact OG1-CG 3.25Å; T55-N58 PolarHBondContact OG1-N 3.36Å; T55-N58 PolarHBondContact OG1-ND2 2.89Å; V56-N58 PolarHBondContact O-N 2.79Å
59C75.7Confident83.5Confident11 Ų1161.9 Ų61.97%0.07430%0.303CS..G310 helixtrans-94.42.7-178.4-610000112.9L50 T55 V56 Q57 L61L50-C59 HydrophobicContact CD1-CB 4.08Å; L50-C59 HydrophobicContact CD2-CB 4.27Å; T55-C59 PolarHBondContact O-N 3.08Å; T55-C59 PolarHBondContact O-SG 3.18Å; V56-C59 PolarHBondContact O-N 2.97Å; Q57-C59 PolarHBondContact O-N 3.4Å; C59-L61 HydrophobicContact CB-CD1 4.07Å; C59-L61 HydrophobicContact CB-CG 3.88Å; C59-L61 PolarHBondContact O-N 3.32Å
60D79.7Confident83.5Confident130 Ų13058.6 Ų58.670%0.69529%0.287SS*.THydrogen-bonded Turntrans48.840.8-173.7-60.5-37.2000112.2Q57Q57-D60 PolarHBondContact O-N 3.14Å
61L79.4Confident83.5Confident9 Ų961 Ų615%0.04730%0.299CS..PPolyproline II helixtrans-81.9118.9175.1-71.1172.8000109M1 F45 L50 V56 C59 V67M1-L61 HydrophobicContact CE-CB 3.86Å; M1-L61 WeakPolarHBondContact CE-O 3.31Å; F45-L61 HydrophobicContact CB-CD2 4.38Å; F45-L61 HydrophobicContact CD1-CD2 3.74Å; F45-L61 HydrophobicContact CD2-CD2 3.55Å; F45-L61 HydrophobicContact CE1-CD2 3.8Å; F45-L61 HydrophobicContact CE2-CD2 3.62Å; F45-L61 HydrophobicContact CG-CD2 3.62Å; F45-L61 HydrophobicContact CZ-CD2 3.74Å; L50-L61 HydrophobicContact CD1-CD1 4.43Å; V56-L61 HydrophobicContact CG1-CB 3.94Å; V56-L61 HydrophobicContact CG1-CD1 4.29Å; V56-L61 HydrophobicContact CG2-CD1 4.38Å; C59-L61 HydrophobicContact CB-CD1 4.07Å; C59-L61 HydrophobicContact CB-CG 3.88Å; C59-L61 PolarHBondContact O-N 3.32Å; L61-V67 HydrophobicContact CD1-CG1 4.38Å; L61-V67 HydrophobicContact CD2-CG1 3.71Å
62D79.5Confident83Confident117 Ų11756.6 Ų56.663%0.62628%0.282SS*.PPolyproline II helixtrans-96.9169.7175.3-69.5-44.2000112M1 Q64 S65M1-D62 VanDerWaalsContact SD-C 3.57Å; D62-Q64 PolarHBondContact O-N 2.81Å; D62-S65 PolarHBondContact N-OG 3.1Å; D62-S65 WeakPolarHBondContact O-CB 3.37Å; D62-S65 PolarHBondContact O-N 3.43Å; D62-S65 PolarHBondContact O-OG 2.58Å
63Q79.5Confident82.1Confident98 Ų9856.5 Ų56.546%0.45829%0.285SS..THydrogen-bonded Turntrans-54.2132.6172.9-173.766.919.700110.7M1 S65M1-Q63 VanDerWaalsContact CA-OE1 3.25Å; M1-Q63 HydrophobicContact CG-CB 4.31Å; Q63-S65 VanDerWaalsContact C-N 3.26Å; Q63-S65 PolarHBondContact O-N 3.06Å
64Q78.6Confident80.5Confident86 Ų8659.1 Ų59.140%0.40229%0.288SS..THydrogen-bonded Turntrans6716.2-175.6-57.9175.4-27.700115.3I2 F4 D62I2-Q64 PolarHBondContact O-N 2.77Å; F4-Q64 HydrophobicContact CD2-CB 4.29Å; F4-Q64 HydrophobicContact CE2-CB 3.88Å; F4-Q64 HydrophobicContact CE2-CG 3.94Å; D62-Q64 PolarHBondContact O-N 2.81Å
65S83.2Confident79.1Confident18 Ų1862.6 Ų62.613%0.12630%0.301CS..  trans-62141.4171.1-67.20000112V3 F4 D62 Q63V3-S65 WeakPolarHBondContact CA-O 3.34Å; F4-S65 PolarHBondContact N-O 3.28Å; D62-S65 PolarHBondContact N-OG 3.1Å; D62-S65 WeakPolarHBondContact O-CB 3.37Å; D62-S65 PolarHBondContact O-N 3.43Å; D62-S65 PolarHBondContact O-OG 2.58Å; Q63-S65 VanDerWaalsContact C-N 3.26Å; Q63-S65 PolarHBondContact O-N 3.06Å
66I84.6Confident76.9Confident46 Ų4668.3 Ų68.324%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-99.9121.2178.3-58.8167.4000109.4F4 R6 F45F4-I66 HydrophobicContact CB-CG1 4.17Å; F4-I66 CarbonylContact O-C 3.54Å; F4-I66 WeakPolarHBondContact O-CA 3.41Å; R6-I66 HydrophobicContact CG-CG2 4Å; F45-I66 WeakPolarHBondContact CD2-O 3.48Å
67V88.1Confident74.7Confident0 Ų071.4 Ų71.40%036%0.355CS..EExtended strand (participates in β ladder)trans-115.1142.3174.4-60.30000110.2F4 V5 R6 L26 V43 F45 L61F4-V67 PolarHBondContact O-N 3.18Å; V5-V67 CarbonylContact C-O 3.57Å; V5-V67 WeakPolarHBondContact CA-O 3.41Å; V5-V67 HydrophobicContact CB-CG2 4.35Å; V5-V67 HydrophobicContact CG2-CG2 3.73Å; R6-V67 PolarHBondContact N-O 3.03Å; L26-V67 HydrophobicContact CD2-CG2 4.44Å; V43-V67 HydrophobicContact CG1-CB 4.36Å; F45-V67 HydrophobicContact CB-CG1 4.3Å; F45-V67 HydrophobicContact CD2-CG1 3.98Å; F45-V67 HydrophobicContact CG-CG1 4.44Å; L61-V67 HydrophobicContact CD1-CG1 4.38Å; L61-V67 HydrophobicContact CD2-CG1 3.71Å
68H84.8Confident73Confident11 Ų1170.5 Ų70.55%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-101.3133.8177.1-62.2-105.5000109.5R6 V43 I44 T270 D274R6-H68 WeakPolarHBondContact O-CA 3.3Å; V43-H68 CarbonylContact C-O 3.55Å; V43-H68 WeakPolarHBondContact CA-O 3.07Å; I44-H68 HydrophobicContact CB-CB 4.21Å; I44-H68 PolarHBondContact N-O 2.94Å; I44-H68 PolarHBondContact O-N 3.43Å; H68-T270 HydrophobicContact CB-CG2 3.99Å; H68-D274 VanDerWaalsContact CE1-CG 3.42Å; H68-D274 IonicContact CE1-OD1 2.74Å; H68-D274 PolarHBondContact CE1-OD1 2.74Å; H68-D274 IonicContact CE1-OD2 3.49Å; H68-D274 IonicContact NE2-OD1 3.57Å; H68-D274 PolarHBondContact NE2-OD1 3.13Å; H68-D274 IonicContact NE2-OD2 2.82Å
69I88.2Confident70.5Confident0 Ų072.8 Ų72.80%036%0.358CS..EExtended strand (participates in β ladder)trans-114.7123.7170.3-62.5-174.4000108.6V5 R6 F7 V30 L41 R42 V43V5-I69 HydrophobicContact CG1-CB 4.26Å; V5-I69 HydrophobicContact CG1-CD1 3.59Å; V5-I69 HydrophobicContact CG1-CG1 3.81Å; R6-I69 PolarHBondContact O-N 2.91Å; F7-I69 HydrophobicContact CD2-CB 4.09Å; F7-I69 HydrophobicContact CD2-CG2 3.84Å; F7-I69 VanDerWaalsContact CD2-O 3.3Å; F7-I69 WeakPolarHBondContact CD2-O 3.38Å; F7-I69 HydrophobicContact CE2-CG2 4.33Å; V30-I69 HydrophobicContact CB-CD1 3.91Å; V30-I69 HydrophobicContact CG1-CD1 3.93Å; V30-I69 HydrophobicContact CG1-CG2 4.4Å; V30-I69 HydrophobicContact CG2-CD1 3.67Å; L41-I69 HydrophobicContact CB-CG2 3.95Å; L41-I69 HydrophobicContact CD1-CG2 4.23Å; L41-I69 HydrophobicContact CD2-CG2 3.89Å; L41-I69 HydrophobicContact CG-CG2 4.24Å; R42-I69 WeakPolarHBondContact O-CA 3.19Å; V43-I69 HydrophobicContact CG2-CD1 4.02Å; V43-I69 HydrophobicContact CG2-CG1 3.94Å
70V84.9Confident68.4Low0 Ų079.1 Ų79.10%039%0.388CS..EExtended strand (participates in β ladder)trans-118.3128.6-179.3-177.20000108.5R42 I44 R72 L266 V269R42-V70 PolarHBondContact N-O 2.91Å; R42-V70 PolarHBondContact O-N 3.23Å; I44-V70 HydrophobicContact CD1-CB 4.46Å; I44-V70 HydrophobicContact CD1-CG2 3.65Å; V70-R72 PolarHBondContact O-N 2.67Å; V70-L266 HydrophobicContact CB-CD2 4.37Å; V70-V269 HydrophobicContact CB-CG1 4.35Å; V70-V269 HydrophobicContact CG1-CB 4.11Å; V70-V269 HydrophobicContact CG1-CG1 3.93Å; V70-V269 HydrophobicContact CG1-CG2 4.17Å; V70-V269 HydrophobicContact CG2-CB 4.01Å; V70-V269 HydrophobicContact CG2-CG1 3.57Å
71Q85.2Confident66Low60 Ų6081.3 Ų81.328%0.2840%0.4SS..EExtended strand (participates in β ladder)trans-79.4115.4171.3-173.2-179.5-1.100109.2F7 V36 Q40 L41F7-Q71 HydrophobicContact CE2-CB 4.2Å; F7-Q71 HydrophobicContact CZ-CB 4.38Å; V36-Q71 VanDerWaalsContact CG1-CD 3.41Å; V36-Q71 HydrophobicContact CG1-CG 3.89Å; Q40-Q71 HydrophobicContact CB-CG 4.14Å; Q40-Q71 CarbonylContact O-C 3.59Å; Q40-Q71 WeakPolarHBondContact O-CA 3.45Å; L41-Q71 HydrophobicContact CD2-CB 4.3Å
72R75.6Confident63.6Low52 Ų5284.4 Ų84.420%0.19643%0.427CS..  trans-151.9119168.8-174.6171.8176160.9-0.1109.6Q40 V70 W74 L261 D262 H265Q40-R72 CarbonylContact O-C 3.56Å; Q40-R72 PolarHBondContact O-N 3.43Å; V70-R72 PolarHBondContact O-N 2.67Å; R72-W74 PolarHBondContact O-N 2.89Å; R72-L261 PolarHBondContact NH1-O 3.28Å; R72-L261 PolarHBondContact NH2-O 3.22Å; R72-D262 IonicContact CZ-OD1 3.96Å; R72-D262 IonicContact NE-OD1 3.42Å; R72-D262 PolarHBondContact NE-OD1 2.98Å; R72-D262 PolarHBondContact NH1-O 2.89Å; R72-D262 IonicContact NH1-OD1 3.92Å; R72-D262 IonicContact NH2-OD1 2.78Å; R72-D262 PolarHBondContact NH2-OD1 2.96Å; R72-H265 VanDerWaalsContact NH1-CG 3.34Å
73P67.8Low61.1Low71 Ų7185.5 Ų85.546%0.46144%0.438SS..  trans-63.4128177.123.5-30.9000110.7Q40 R75Q40-P73 HydrophobicContact CG-CB 4.37Å; P73-R75 PolarHBondContact O-N 2.88Å
74W54.2Low58.6Low155 Ų15585 Ų8559%0.58746%0.459SS*.  trans-66.9122.9175.4-178.4-102.9000110.2R42 R72R42-W74 VanDerWaalsContact CZ-CZ3 3.46Å; R72-W74 PolarHBondContact O-N 2.89Å
75R57Low56.1Low170 Ų17084.3 Ų84.364%0.64248%0.475SS*.  trans-96.991.7173.7-66-165.4-165.3-96-0.7109.9P73 G77P73-R75 PolarHBondContact O-N 2.88Å; R75-G77 PolarHBondContact O-N 3.04Å
76K41.9Very low53.3Low157 Ų15791.2 Ų91.268%0.68351%0.51SS*.  trans-77.471167.4-154.6-179.1-175.7-172.50109.6E79K76-E79 WeakPolarHBondContact CE-OE1 3.32Å; K76-E79 IonicContact NZ-OE1 3.73Å
77G38.6Very low50.5Low66 Ų6696 Ų9668%0.6854%0.536SS*.  trans-129.94.2-177.100000114.8R75R75-G77 PolarHBondContact O-N 3.04Å
78Q43.9Very low48.1Very low117 Ų117100.4 Ų100.455%0.54757%0.565SS.*  trans-142.268.2-179.9-79.4173.3-52.800108.7S246Q78-S246 PolarHBondContact NE2-O 3.37Å
79E29.6Very low45.4Very low154 Ų154110.6 Ų110.672%0.7260%0.603SS**  trans-91136.5154.8-82.9173.9-173.200107.9K76K76-E79 WeakPolarHBondContact CE-OE1 3.32Å; K76-E79 IonicContact NZ-OE1 3.73Å
80M31.5Very low42.4Very low144 Ų144118.6 Ų118.671%0.70965%0.646SS**  trans-67.4134.1-170.3-144.6121.315700111A82M80-A82 VanDerWaalsContact C-N 3.33Å; M80-A82 PolarHBondContact O-N 2.96Å
81N29.8Very low39.6Very low176 Ų176123.1 Ų123.194%0.94168%0.683SS**  trans-67.392.9155.5-80.5-27.3000108.8
82A28.5Very low36.7Very low75 Ų75125.1 Ų125.162%0.6271%0.71SS**  trans-170.5116.4160.600000104.5M80M80-A82 VanDerWaalsContact C-N 3.33Å; M80-A82 PolarHBondContact O-N 2.96Å
83T28.1Very low34.2Very low139 Ų139126.8 Ų126.885%0.85374%0.743SS**  cis-158.1140.439.825.80000108
84G27Very low32.1Very low88 Ų88127.4 Ų127.491%0.90776%0.763SS**  trans-67.8135.8166.900000111.1
85G25.1Very low30.6Very low71 Ų71125.4 Ų125.473%0.73277%0.771SS**  trans-157.5107.4165.900000108.1
86D25Very low29.1Very low163 Ų163126.5 Ų126.587%0.87278%0.783SS**  trans-51.4144.5159.9-63.5-52.2000108.5
87D26.1Very low28.3Very low146 Ų146129.9 Ų129.978%0.78179%0.792SS**  -174.7-168.754.1-143.3-14.8000108.8
88P38Very low27.7Very low94 Ų94135.3 Ų135.361%0.6180%0.8SS**  -122.7171.8-115.543.2-26.5000116.9
89R26.5Very low27Very low224 Ų224135.8 Ų135.885%0.84581%0.813SS**  trans64.8115.1154.9-69.9170-176.6-174.41.7119.7
90N26.6Very low26.8Very low168 Ų168136.8 Ų136.890%0.89882%0.817SS**  -173.2148.3103.2-98.9-26000113.6
91A24.9Very low26.6Very low95 Ų95136 Ų13679%0.78583%0.826SS**  trans-81.2150.2-173.900000113.7
92A25.8Very low26.5Very low103 Ų103135.1 Ų135.185%0.85182%0.821SS**  158.4124116.100000113.2
93G22.4Very low26.5Very low86 Ų86138.3 Ų138.389%0.88783%0.832SS**  trans85.4113.9134.500000119.9
94G22.8Very low26.5Very low84 Ų84143.5 Ų143.587%0.86684%0.837SS**  trans155.1103.2156.500000115.1
95C23.3Very low26.5Very low113 Ų113145.4 Ų145.476%0.76483%0.83SS**  trans-55.4142.6179.7-176.70000115
96E25.8Very low26.5Very low193 Ų193148.6 Ų148.690%0.90283%0.83SS**  trans-162.5148.8130.9-108.9170.9-168.500113.9
97R26.1Very low26.5Very low229 Ų229148.8 Ų148.886%0.86483%0.83SS**PPolyproline II helixtrans-77.8138.4-156-70.7154.4170168.3-3.3114.3
98E25.5Very low26.4Very low179 Ų179146.6 Ų146.684%0.83683%0.827SS**PPolyproline II helixtrans-75.6135.4156.7-67.8-172.2120.300110.4
99P28.1Very low25.9Very low127 Ų127147.3 Ų147.383%0.82583%0.834SS**PPolyproline II helixtrans-87.4116.3162.124.3-14.3000110.3
100Q27Very low26Very low175 Ų175142.9 Ų142.982%0.81884%0.837SS**PPolyproline II helixtrans-66136175.2-66165.2-24.300111.6L102Q100-L102 PolarHBondContact O-N 2.79Å
101S27.2Very low26Very low127 Ų127140.9 Ų140.989%0.88883%0.831SS**  trans-63.9112.6172.1-53.70000111.5
102L26.6Very low26Very low159 Ų159143.8 Ų143.883%0.83283%0.832SS**  trans-99112.9169.8-74.7169.5000110Q100Q100-L102 PolarHBondContact O-N 2.79Å
103T28.7Very low26.4Very low141 Ų141144.8 Ų144.887%0.86583%0.83SS**  trans-17786.613522.40000108.9
104R27Very low26.6Very low249 Ų249143.8 Ų143.894%0.9482%0.82SS**  trans-93.7123.8152.1-87.8-176.4159.3143.4-3.7106.8
105V27.6Very low26.7Very low128 Ų128147.3 Ų147.378%0.77682%0.819SS**  trans-104.3118.2156.9179.90000105.8
106D25Very low26.9Very low137 Ų137147 Ų14773%0.73382%0.818SS**  trans-94130.1177.6-156.4-9.4000108
107L24.7Very low27Very low167 Ų167144.3 Ų144.387%0.87482%0.815SS**  trans-142.786.7168.1-74.8179000108.5
108S25.7Very low26.9Very low101 Ų101136.6 Ų136.671%0.70681%0.806SS**  trans-85.4120159.661.60000109.7
109S27.5Very low27Very low109 Ų109135.7 Ų135.776%0.76281%0.806SS**  trans161.4112.2130.654.40000111.3
110S27.6Very low26.8Very low130 Ų130133.8 Ų133.891%0.90980%0.801SS**  trans-167.5132.8135.7-78.50000108.9
111V26.6Very low26.7Very low127 Ų127131.3 Ų131.377%0.7780%0.797SS**  trans-107.7152.6-166.3-173.40000109
112L25.7Very low26.6Very low155 Ų155131.7 Ų131.781%0.81279%0.788SS**  trans105.4155.3154.8-55.4-178.1000117.2
113P34.7Very low26.5Very low125 Ų125131.7 Ų131.781%0.81279%0.788SS**  -137.8-176-86.932.3-8000113.2
114G24.9Very low26.4Very low65 Ų65132.8 Ų132.867%0.6778%0.783SS**  trans127.7100.315000000118.2
115D25.1Very low26.3Very low158 Ų158127.1 Ų127.185%0.84578%0.776SS**  66.9107.7128.5-62.2-9000121.7
116S28.3Very low26.1Very low105 Ų105127.7 Ų127.773%0.73478%0.775SS**  141.1114.897.3-89.60000117.2
117V28.2Very low26.1Very low138 Ų138126.4 Ų126.484%0.83678%0.777SS**  65.5121.5129.5-159.10000122.9
118G24.1Very low26.2Very low66 Ų66129.9 Ų129.968%0.6878%0.779SS**  trans105.9134.8133.700000115.3
119L27.7Very low26.4Very low161 Ų161135.1 Ų135.184%0.84379%0.789SS**  cis-166.6132.33.3-131.7130.9000105.6
120A23.2Very low26.2Very low87 Ų87137.2 Ų137.272%0.71979%0.791SS**  trans-91136.7169.800000109.3
121V25Very low26.3Very low122 Ų122136.1 Ų136.174%0.73978%0.784SS**  trans-117.8105.8160.5177.10000107.5L123V121-L123 HydrophobicContact CG1-CG 4.36Å
122I24.9Very low26.4Very low136 Ų136135.8 Ų135.870%0.69778%0.784SS**  trans-89.7125.5162.9-66.2161.4000106.2
123L25.5Very low26.5Very low159 Ų159134.4 Ų134.483%0.83278%0.784SS**  trans-120.3118.7154.3-75.4171.4000107.4V121V121-L123 HydrophobicContact CG1-CG 4.36Å
124H25.3Very low26.2Very low163 Ų163133.2 Ų133.276%0.75579%0.785SS**  trans-107.6152164.2-88.949.4000108.8
125T25.2Very low26.2Very low130 Ų130133.5 Ų133.580%0.79879%0.788SS**  trans133.7129.8166.249.50000107.3
126D23.8Very low26.2Very low140 Ų140131.6 Ų131.675%0.74979%0.787SS**  cis-160.7140.71.6-112.9-40.8000108.9
127S25.5Very low26.3Very low111 Ų111131.4 Ų131.478%0.77678%0.783SS**  trans15102.6150.3-55.30000120.2
128R25.6Very low26.3Very low240 Ų240129.9 Ų129.991%0.90679%0.785SS**  trans-137.2131.1141.3-76.1-169.1175.9-178.8-1110.1D130R128-D130 PolarHBondContact O-N 2.95Å
129K30.3Very low26.6Very low211 Ų211130.5 Ų130.592%0.91779%0.792SS**  trans-58.3113.1177.6-74.6172.6173.1176.40109.9
130D24.3Very low27.2Very low153 Ų153131.4 Ų131.482%0.81878%0.784SS**  trans-137.5127.2157.1-85.3-44.9000109.6R128R128-D130 PolarHBondContact O-N 2.95Å
131S28Very low28.4Very low107 Ų107132.6 Ų132.675%0.74879%0.787SS**PPolyproline II helixtrans-52.9142.8-178-28.30000112.6
132P30.3Very low29.9Very low120 Ų120132.8 Ų132.878%0.77978%0.783SS**PPolyproline II helixtrans-67.3138.1170.426.9-30.5000110A134P132-A134 PolarHBondContact O-N 2.83Å
133P27.3Very low32Very low125 Ų125129.1 Ų129.181%0.81276%0.761SS**PPolyproline II helixtrans-63.4134.6173.526.1-30.4000109.2
134A27.6Very low34.5Very low101 Ų101122.7 Ų122.784%0.83573%0.727SS**  trans-45.7135.1-17700000112.6P132P132-A134 PolarHBondContact O-N 2.83Å
135G25.4Very low37Very low70 Ų70115 Ų11572%0.72269%0.691SS**  trans-52.6143.7-177.900000113.7
136S25.3Very low40.1Very low118 Ų118108.8 Ų108.883%0.82565%0.653SS**  trans-44.1125.1162.3-54.60000110.1A138S136-A138 PolarHBondContact O-N 2.85Å
137P30.1Very low43.4Very low101 Ų101103.1 Ų103.166%0.65662%0.622SS**  trans-69.2109.91756.33.2000108.4
138A27.8Very low46.7Very low106 Ų10697.8 Ų97.888%0.87659%0.585SS**SBendtrans-56.6133.9163.100000109.5S136S136-A138 PolarHBondContact O-N 2.85Å
139G31.7Very low49.9Very low80 Ų8087.2 Ų87.283%0.82555%0.545SS*.  trans9739.3161.500000118.2S141G139-S141 PolarHBondContact O-N 2.82Å
140R40.3Very low52.9Low179 Ų17977.2 Ų77.268%0.67550%0.501SS*.  trans-79.6113.8161.7-76.1-176.6177.4178.7-1109.7I142R140-I142 PolarHBondContact O-N 3.05Å
141S47.3Very low55.9Low113 Ų11377.3 Ų77.379%0.7950%0.495SS*.  trans-53.7120166.1177.60000108.7G139 Y143G139-S141 PolarHBondContact O-N 2.82Å; S141-Y143 PolarHBondContact O-N 3.39Å
142I56.6Low58.7Low126 Ų12674 Ų7465%0.64648%0.478SS*.  trans-71.999.4179.8-55.5175.1000107R140 N144R140-I142 PolarHBondContact O-N 3.05Å; I142-N144 WeakPolarHBondContact CG2-ND2 3.27Å; I142-N144 PolarHBondContact O-N 3.44Å; I142-N144 PolarHBondContact O-ND2 2.92Å
143Y69.2Low61.5Low59 Ų5973.4 Ų73.423%0.23147%0.474CS..  trans-73.7106175.3-167.9-94.4000108.9S141 N448 H461 D464S141-Y143 PolarHBondContact O-N 3.39Å; Y143-N448 WeakPolarHBondContact CE1-ND2 3.4Å; Y143-H461 HydrophobicContact CD1-CB 3.78Å; Y143-H461 HydrophobicContact CE1-CB 4.19Å; Y143-H461 PolarHBondContact O-ND1 3.22Å; Y143-D464 PolarHBondContact OH-OD1 3.16Å
144N77.3Confident64.5Low24 Ų2468.9 Ų68.913%0.12844%0.444CS..  trans-107.9121.8172.9-62.7-64.4000108.4I142 P159 T231I142-N144 WeakPolarHBondContact CG2-ND2 3.27Å; I142-N144 PolarHBondContact O-N 3.44Å; I142-N144 PolarHBondContact O-ND2 2.92Å; N144-P159 HydrophobicContact CB-CB 4.01Å; N144-T231 PolarHBondContact O-OG1 3.5Å
145S78.4Confident67.4Low1 Ų169.1 Ų69.11%0.00743%0.428CS..  trans-80.5-28.4174.2-67.10000111.7D460 H461 F463 V465S145-D460 PolarHBondContact N-O 3.47Å; S145-H461 WeakPolarHBondContact OG-CA 3.21Å; S145-H461 VanDerWaalsContact OG-CB 3.25Å; S145-H461 WeakPolarHBondContact OG-CB 3.22Å; S145-F463 WeakPolarHBondContact CB-O 3.4Å; S145-F463 PolarHBondContact OG-O 3.23Å; S145-V465 WeakPolarHBondContact O-CG2 3.29Å
146F90.1Very high70.4Confident0 Ų071.6 Ų71.60%042%0.416CS..  trans-113.8143.3-167.1-44.3-57.8000112.2P159 G160 L162 W183 F210 G459 W462 F463F146-P159 WeakPolarHBondContact O-CA 3.16Å; F146-G160 PolarHBondContact O-N 3.36Å; F146-L162 HydrophobicContact CD2-CB 3.99Å; F146-L162 HydrophobicContact CE2-CB 3.78Å; F146-L162 HydrophobicContact CE2-CD2 4.07Å; F146-L162 HydrophobicContact CZ-CD2 4.03Å; F146-W183 HydrophobicContact CB-CH2 4.48Å; F146-W183 AromaticContact CD1-CH2 3.72Å; F146-W183 HydrophobicContact CD1-CH2 3.72Å; F146-W183 AromaticContact CD1-CZ2 3.99Å; F146-W183 HydrophobicContact CD1-CZ2 3.99Å; F146-W183 HydrophobicContact CD1-CZ3 4.4Å; F146-F210 HydrophobicContact CB-CD1 4.25Å; F146-F210 HydrophobicContact CB-CE1 3.94Å; F146-F210 HydrophobicContact CD1-CE1 4.08Å; F146-F210 HydrophobicContact CD2-CE1 4.23Å; F146-F210 HydrophobicContact CG-CD1 4.49Å; F146-F210 AromaticContact CG-CE1 3.8Å; F146-F210 HydrophobicContact CG-CE1 3.8Å; F146-G459 WeakPolarHBondContact CD2-O 3.14Å; F146-W462 HydrophobicContact CE2-CB 4.49Å; F146-W462 HydrophobicContact CZ-CB 4.38Å; F146-F463 HydrophobicContact CD1-CZ 4.32Å; F146-F463 AromaticContact CE1-CD1 3.89Å; F146-F463 HydrophobicContact CE1-CD1 3.89Å; F146-F463 HydrophobicContact CE1-CD2 4.26Å; F146-F463 AromaticContact CE1-CE1 3.42Å; F146-F463 HydrophobicContact CE1-CE1 3.42Å; F146-F463 VanDerWaalsContact CE1-CE1 3.42Å; F146-F463 AromaticContact CE1-CE2 3.85Å; F146-F463 HydrophobicContact CE1-CE2 3.85Å; F146-F463 HydrophobicContact CE1-CG 4.28Å; F146-F463 AromaticContact CE1-CZ 3.4Å; F146-F463 HydrophobicContact CE1-CZ 3.4Å; F146-F463 VanDerWaalsContact CE1-CZ 3.4Å; F146-F463 AromaticContact CZ-CD1 3.68Å; F146-F463 HydrophobicContact CZ-CD1 3.68Å; F146-F463 AromaticContact CZ-CE1 3.57Å; F146-F463 HydrophobicContact CZ-CE1 3.57Å; F146-F463 HydrophobicContact CZ-CG 4.24Å; F146-F463 HydrophobicContact CZ-CZ 4.06Å
147Y93Very high73.5Confident20 Ų2067.9 Ų67.98%0.07839%0.386CS..EExtended strand (participates in β ladder)trans-123.8142173.1-68.3-81.7000110.3M157 Q158 L226 I229 T231 P247Y147-M157 HydrophobicContact CD1-CE 3.74Å; Y147-M157 HydrophobicContact CD1-CG 4.2Å; Y147-M157 HydrophobicContact CD1-SD 3.88Å; Y147-M157 HydrophobicContact CE1-CE 4.03Å; Y147-M157 HydrophobicContact CG-SD 4.16Å; Y147-Q158 WeakPolarHBondContact CA-O 3.43Å; Y147-L226 PolarHBondContact O-N 3.27Å; Y147-I229 HydrophobicContact CD2-CB 4.32Å; Y147-I229 HydrophobicContact CD2-CG2 3.64Å; Y147-I229 HydrophobicContact CE2-CG2 4.28Å; Y147-I229 HydrophobicContact CG-CB 4.48Å; Y147-I229 HydrophobicContact CG-CG2 3.81Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.2Å; Y147-T231 PolarHBondContact OH-OG1 2.89Å; Y147-P247 HydrophobicContact CD1-CG 4.27Å; Y147-P247 HydrophobicContact CD2-CB 4.29Å; Y147-P247 HydrophobicContact CE1-CB 4.04Å; Y147-P247 HydrophobicContact CE1-CG 3.73Å; Y147-P247 HydrophobicContact CE2-CB 3.64Å; Y147-P247 HydrophobicContact CE2-CG 4.25Å; Y147-P247 VanDerWaalsContact CZ-CB 3.48Å
148V94.4Very high76.5Confident0 Ų064.2 Ų64.20%036%0.36CS..EExtended strand (participates in β ladder)trans-132.6152.8179.6-63.50000110.7M157 Q158 F210 V224V148-M157 CarbonylContact O-C 3.59Å; V148-M157 VanDerWaalsContact O-CA 3.31Å; V148-M157 WeakPolarHBondContact O-CA 3.17Å; V148-Q158 PolarHBondContact N-O 3.37Å; V148-Q158 PolarHBondContact O-N 3.22Å; V148-F210 HydrophobicContact CG1-CB 3.64Å; V148-F210 HydrophobicContact CG1-CD1 4.35Å; V148-F210 HydrophobicContact CG1-CG 4.31Å; V148-V224 WeakPolarHBondContact CA-O 2.79Å; V148-V224 WeakPolarHBondContact CB-O 2.92Å
149Y93.9Very high79.5Confident18 Ų1860.9 Ų60.97%0.07133%0.329CS..EExtended strand (participates in β ladder)trans-88.7112.6164.9-174-95.7000109.9V224 R305Y149-V224 PolarHBondContact N-O 3.45Å; Y149-V224 VanDerWaalsContact N-O 3.12Å; Y149-R305 HydrophobicContact CD1-CB 3.99Å; Y149-R305 HydrophobicContact CD2-CB 3.94Å; Y149-R305 HydrophobicContact CE1-CB 4.13Å; Y149-R305 HydrophobicContact CE2-CB 4.08Å; Y149-R305 WeakPolarHBondContact CE2-O 3.35Å; Y149-R305 HydrophobicContact CG-CB 3.89Å
150C92.9Very high82.2Confident1 Ų157 Ų571%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-88.7112.3176.3173.10000109.7G152 C154 Q155 R156 Q158 C212 H215C150-G152 PolarHBondContact O-N 2.85Å; C150-G152 PolarHBondContact SG-O 2.91Å; C150-G152 VanDerWaalsContact SG-O 3.38Å; C150-C154 HydrophobicContact CB-CB 3.79Å; C150-Q155 VanDerWaalsContact O-CA 3.29Å; C150-Q155 WeakPolarHBondContact O-CA 3.02Å; C150-Q155 PolarHBondContact O-N 2.83Å; C150-R156 PolarHBondContact N-O 3.19Å; C150-R156 PolarHBondContact O-N 3.44Å; C150-Q158 HydrophobicContact CB-CG 4.33Å; C150-C212 HydrophobicContact CB-CB 4Å; C150-H215 PolarHBondContact SG-NE2 2.8Å
151K88.3Confident84.5Confident155 Ų15551.2 Ų51.267%0.67427%0.27SS*.THydrogen-bonded Turntrans-64.2-23.9179.864.2-179.5179.3-179.50114.3
152G86.6Confident86.6Confident38 Ų3845.9 Ų45.939%0.39223%0.232SC..THydrogen-bonded Turntrans176.6142.3-179.600000110.5C150C150-G152 PolarHBondContact O-N 2.85Å; C150-G152 PolarHBondContact SG-O 2.91Å; C150-G152 VanDerWaalsContact SG-O 3.38Å
153P88.8Confident88.2Confident107 Ų10743 Ų4370%0.69521%0.213SC*.THydrogen-bonded Turncis-80.1-3.13.432.4-37.4000115.2
154C89.8Confident89.2Confident29 Ų2941.2 Ų41.220%0.19621%0.208CC..THydrogen-bonded Turntrans-76.9-35.4-170.6-62.20000114.9C150 R156 Q158 H215C150-C154 HydrophobicContact CB-CB 3.79Å; C154-R156 HydrophobicContact CB-CG 4.17Å; C154-R156 WeakPolarHBondContact O-CG 3.35Å; C154-R156 PolarHBondContact O-N 2.86Å; C154-R156 VanDerWaalsContact O-N 3.08Å; C154-Q158 HydrophobicContact CB-CG 3.94Å; C154-H215 PolarHBondContact SG-CD2 3.42Å
155Q88.9Confident89.7Confident106 Ų10641.6 Ų41.650%0.49521%0.209SC..  trans48.633.5-173.7-66.2178.7-33.900114C150 E309C150-Q155 VanDerWaalsContact O-CA 3.29Å; C150-Q155 WeakPolarHBondContact O-CA 3.02Å; C150-Q155 PolarHBondContact O-N 2.83Å; Q155-E309 PolarHBondContact NE2-OE1 3.4Å
156R88Confident90.3Very high123 Ų12341.5 Ų41.546%0.46421%0.209SC..EExtended strand (participates in β ladder)trans-157.3167.9-178.567.6-168.4171.21432110.7C150 C154C150-R156 PolarHBondContact N-O 3.19Å; C150-R156 PolarHBondContact O-N 3.44Å; C154-R156 HydrophobicContact CB-CG 4.17Å; C154-R156 WeakPolarHBondContact O-CG 3.35Å; C154-R156 PolarHBondContact O-N 2.86Å; C154-R156 VanDerWaalsContact O-N 3.08Å
157M90.9Very high90.4Very high39 Ų3943.2 Ų43.219%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-62.5134.8171.4-176.7-159.676.500110.7Y147 V148 L226 I229 P247 L261 I306Y147-M157 HydrophobicContact CD1-CE 3.74Å; Y147-M157 HydrophobicContact CD1-CG 4.2Å; Y147-M157 HydrophobicContact CD1-SD 3.88Å; Y147-M157 HydrophobicContact CE1-CE 4.03Å; Y147-M157 HydrophobicContact CG-SD 4.16Å; V148-M157 CarbonylContact O-C 3.59Å; V148-M157 VanDerWaalsContact O-CA 3.31Å; V148-M157 WeakPolarHBondContact O-CA 3.17Å; M157-L226 HydrophobicContact CB-CD1 4.46Å; M157-L226 HydrophobicContact CG-CD1 3.96Å; M157-I229 HydrophobicContact CG-CD1 4.45Å; M157-I229 HydrophobicContact SD-CD1 3.64Å; M157-I229 HydrophobicContact SD-CG2 3.91Å; M157-P247 HydrophobicContact CE-CG 3.39Å; M157-P247 HydrophobicContact SD-CG 4.13Å; M157-L261 HydrophobicContact CE-CD1 3.64Å; M157-L261 HydrophobicContact SD-CD1 3.55Å; M157-L261 VanDerWaalsContact SD-CD1 3.55Å; M157-I306 HydrophobicContact CB-CG2 4.49Å
158Q92Very high90.3Very high24 Ų2446.3 Ų46.311%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-135.8160.3177.2-68.7-62.1-18.100110.4Y147 V148 C150 C154 G160 A214Y147-Q158 WeakPolarHBondContact CA-O 3.43Å; V148-Q158 PolarHBondContact N-O 3.37Å; V148-Q158 PolarHBondContact O-N 3.22Å; C150-Q158 HydrophobicContact CB-CG 4.33Å; C154-Q158 HydrophobicContact CB-CG 3.94Å; Q158-G160 PolarHBondContact O-N 2.89Å; Q158-A214 HydrophobicContact CB-CB 4.36Å; Q158-A214 HydrophobicContact CG-CB 4.04Å
159P91.1Very high90.1Very high36 Ų3648.2 Ų48.223%0.23426%0.255CS..EExtended strand (participates in β ladder)trans-53.9135163.8-24.335.3000110.9N144 F146 G213N144-P159 HydrophobicContact CB-CB 4.01Å; F146-P159 WeakPolarHBondContact O-CA 3.16Å; P159-G213 WeakPolarHBondContact O-CA 3.48Å; P159-G213 PolarHBondContact O-N 2.8Å
160G89.8Confident89.8Confident0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-97.2145.7-179.600000112.2F146 Q158 K211F146-G160 PolarHBondContact O-N 3.36Å; Q158-G160 PolarHBondContact O-N 2.89Å; G160-K211 CarbonylContact C-O 3.46Å; G160-K211 WeakPolarHBondContact CA-O 3.43Å
161K88.3Confident89.4Confident57 Ų5760.2 Ų60.225%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-106.8115.6170-74.9173.8-179.1160.60109.3F210 K211 G213 G459K161-F210 WeakPolarHBondContact O-CA 3.22Å; K161-K211 HydrophobicContact CB-CB 4.44Å; K161-K211 PolarHBondContact N-O 2.96Å; K161-K211 PolarHBondContact O-N 2.93Å; K161-G213 PolarHBondContact NZ-O 3.2Å; K161-G213 VanDerWaalsContact NZ-O 3.07Å; K161-G459 WeakPolarHBondContact CA-O 3.49Å
162L90.9Very high89.2Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-74.6135.5174178.559.1000110.6F146 P180 V186 F208 F210 G459 W462 F463F146-L162 HydrophobicContact CD2-CB 3.99Å; F146-L162 HydrophobicContact CE2-CB 3.78Å; F146-L162 HydrophobicContact CE2-CD2 4.07Å; F146-L162 HydrophobicContact CZ-CD2 4.03Å; L162-P180 HydrophobicContact CD2-CG 4.26Å; L162-V186 HydrophobicContact CD1-CG1 4.25Å; L162-V186 HydrophobicContact CD2-CG1 4.05Å; L162-F208 HydrophobicContact CD1-CB 4.08Å; L162-F208 HydrophobicContact CD1-CD1 3.85Å; L162-F208 HydrophobicContact CD1-CG 4.36Å; L162-F208 HydrophobicContact CG-CD1 4.4Å; L162-F210 HydrophobicContact CB-CD1 4.29Å; L162-F210 HydrophobicContact CB-CE1 4Å; L162-F210 HydrophobicContact CD1-CD1 4.3Å; L162-F210 HydrophobicContact CD1-CD2 4.38Å; L162-F210 HydrophobicContact CD1-CE1 3.81Å; L162-F210 HydrophobicContact CD1-CE2 3.9Å; L162-F210 HydrophobicContact CD1-CZ 3.6Å; L162-F210 HydrophobicContact CG-CE1 4.4Å; L162-G459 PolarHBondContact N-O 3.29Å; L162-W462 HydrophobicContact CD2-CB 3.88Å; L162-W462 HydrophobicContact CD2-CD2 4.35Å; L162-W462 HydrophobicContact CD2-CE3 3.78Å; L162-W462 HydrophobicContact CD2-CG 4.44Å; L162-W462 HydrophobicContact CG-CE3 4Å; L162-F463 HydrophobicContact CD2-CD1 4.38Å; L162-F463 HydrophobicContact CD2-CE1 4.06Å
163R88.9Confident89.2Confident67 Ų6756.8 Ų56.825%0.25330%0.296SS..EExtended strand (participates in β ladder)trans-138158.9176.7-63.5-65.6179.9-99.76.5109.7F208 F209 K211R163-F208 WeakPolarHBondContact O-CA 3.18Å; R163-F209 HydrophobicContact CB-CD1 4.3Å; R163-F209 HydrophobicContact CB-CD2 3.95Å; R163-F209 HydrophobicContact CB-CE1 3.8Å; R163-F209 HydrophobicContact CB-CE2 3.39Å; R163-F209 HydrophobicContact CB-CG 4.38Å; R163-F209 HydrophobicContact CB-CZ 3.33Å; R163-F209 HydrophobicContact CG-CE2 3.86Å; R163-F209 HydrophobicContact CG-CZ 4.1Å; R163-F209 PolarHBondContact N-O 3Å; R163-F209 PolarHBondContact O-N 2.93Å; R163-K211 HydrophobicContact CG-CD 4.3Å
164V90.6Very high89.1Confident21 Ų2152.3 Ų52.313%0.12727%0.266CS..EExtended strand (participates in β ladder)trans-131.2142.9178.764.80000110L174 L176 A206 E207 F208 W462V164-L174 HydrophobicContact CG2-CD2 4.44Å; V164-L176 HydrophobicContact CG1-CD1 4.48Å; V164-L176 HydrophobicContact CG2-CD1 4.39Å; V164-L176 HydrophobicContact CG2-CD2 4.23Å; V164-L176 HydrophobicContact CG2-CG 4.46Å; V164-A206 HydrophobicContact CG2-CB 3.97Å; V164-E207 WeakPolarHBondContact CA-O 3.37Å; V164-F208 HydrophobicContact CB-CD1 3.8Å; V164-F208 HydrophobicContact CB-CE1 3.72Å; V164-F208 HydrophobicContact CG2-CD1 3.98Å; V164-F208 HydrophobicContact CG2-CE1 3.73Å; V164-F208 HydrophobicContact CG2-CZ 4.07Å; V164-W462 HydrophobicContact CG1-CH2 3.91Å; V164-W462 HydrophobicContact CG1-CZ3 4.16Å
165Q89.4Confident89Confident31 Ų3155 Ų5515%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-139164.1171.564.4-172.225.900110.7Q171 E207 F209Q165-Q171 WeakPolarHBondContact CA-O 3.37Å; Q165-Q171 WeakPolarHBondContact CB-O 3.32Å; Q165-E207 HydrophobicContact CG-CB 4.06Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 2.93Å; Q165-E207 PolarHBondContact NE2-OE2 3.46Å; Q165-E207 PolarHBondContact O-N 3.31Å; Q165-F209 HydrophobicContact CB-CE1 3.99Å; Q165-F209 HydrophobicContact CG-CD1 4Å; Q165-F209 HydrophobicContact CG-CE1 3.78Å
166C89.5Confident89Confident0 Ų051.4 Ų51.40%027%0.266CS..EExtended strand (participates in β ladder)trans-68.7128.1170.7175.50000109.6T168 C169 R170 Q171 L174 C196C166-T168 PolarHBondContact O-N 2.85Å; C166-T168 PolarHBondContact SG-N 3.03Å; C166-C169 VanDerWaalsContact CB-SG 3.56Å; C166-R170 WeakPolarHBondContact O-CA 3.44Å; C166-R170 PolarHBondContact O-N 3.14Å; C166-Q171 PolarHBondContact N-O 2.89Å; C166-L174 HydrophobicContact CB-CB 4.08Å; C166-L174 HydrophobicContact CB-CD1 4.12Å; C166-C196 HydrophobicContact CB-CB 4.38Å
167S92.5Very high89Confident36 Ų3650.8 Ų50.825%0.25228%0.276SS..THydrogen-bonded Turntrans-64.9-24.4179.5690000113.3S205S167-S205 PolarHBondContact N-O 3.34Å; S167-S205 VanDerWaalsContact N-O 3.08Å; S167-S205 WeakPolarHBondContact OG-CB 3.19Å; S167-S205 PolarHBondContact OG-O 3.32Å
168T92.2Very high88.8Confident85 Ų8555.1 Ų55.152%0.52130%0.296SS..THydrogen-bonded Turntrans-82.9-55.8-178-46.80000112.5C166 G203C166-T168 PolarHBondContact O-N 2.85Å; C166-T168 PolarHBondContact SG-N 3.03Å; T168-G203 VanDerWaalsContact OG1-CA 3.29Å; T168-G203 WeakPolarHBondContact OG1-CA 3.39Å
169C89.7Confident88.5Confident40 Ų4054.7 Ų54.727%0.2730%0.298SS..THydrogen-bonded Turntrans-96-7.6-17768.30000114.1C166 Q171 C196C166-C169 VanDerWaalsContact CB-SG 3.56Å; C169-Q171 HydrophobicContact CB-CG 4.46Å; C169-Q171 PolarHBondContact O-N 2.9Å; C169-C196 VanDerWaalsContact SG-SG 3.64Å
170R88.1Confident88.5Confident179 Ų17953 Ų5368%0.67529%0.287SS*.  trans56.126.8-177-60.2-176.3173.4177.3-1.2114.5C166C166-R170 WeakPolarHBondContact O-CA 3.44Å; C166-R170 PolarHBondContact O-N 3.14Å
171Q84.1Confident88.4Confident92 Ų9255 Ų5543%0.4330%0.3SS..SBendtrans-101.3149.1174.2-62.9179.1-12.900110.5Q165 C166 C169 T173 S198Q165-Q171 WeakPolarHBondContact CA-O 3.37Å; Q165-Q171 WeakPolarHBondContact CB-O 3.32Å; C166-Q171 PolarHBondContact N-O 2.89Å; C169-Q171 HydrophobicContact CB-CG 4.46Å; C169-Q171 PolarHBondContact O-N 2.9Å; Q171-T173 HydrophobicContact CB-CG2 4.06Å; Q171-T173 PolarHBondContact O-N 2.87Å; Q171-S198 PolarHBondContact OE1-OG 3.41Å
172A83.5Confident88.4Confident77 Ų7754.5 Ų54.564%0.63630%0.304SS*.THydrogen-bonded Turntrans-77.744.5175.300000112.4
173T86.3Confident88.4Confident44 Ų4456.2 Ų56.227%0.2731%0.31SS..THydrogen-bonded Turntrans-111.34.7-17752.30000112.4Q171 C196 Q197Q171-T173 HydrophobicContact CB-CG2 4.06Å; Q171-T173 PolarHBondContact O-N 2.87Å; T173-C196 PolarHBondContact OG1-SG 3.39Å; T173-Q197 WeakPolarHBondContact O-CB 3.38Å; T173-Q197 WeakPolarHBondContact O-CG 3.45Å; T173-Q197 PolarHBondContact O-N 3.44Å
174L86.9Confident88.5Confident13 Ų1357.6 Ų57.67%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-81121.5179-166.182.3000110.6V164 C166 L176 C196 S205 A206V164-L174 HydrophobicContact CG2-CD2 4.44Å; C166-L174 HydrophobicContact CB-CB 4.08Å; C166-L174 HydrophobicContact CB-CD1 4.12Å; L174-L176 HydrophobicContact CD2-CD2 4.16Å; L174-C196 HydrophobicContact CD1-CB 4.03Å; L174-S205 WeakPolarHBondContact CD2-O 3.31Å; L174-A206 HydrophobicContact CD2-CB 3.55Å
175T87.4Confident88.5Confident85 Ų8557.2 Ų57.252%0.52132%0.32SS..EExtended strand (participates in β ladder)trans-94.5116.9171.5-56.50000108.7G194 E195T175-G194 CarbonylContact O-C 3.59Å; T175-G194 WeakPolarHBondContact O-CA 3.44Å; T175-E195 PolarHBondContact N-O 3.21Å; T175-E195 PolarHBondContact O-N 3.29Å
176L89.1Confident88.6Confident31 Ų3156.3 Ų56.316%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-72.6143.6-178.3-67.6172.9000111.6V164 L174 Q178 A206 F208 W462V164-L176 HydrophobicContact CG1-CD1 4.48Å; V164-L176 HydrophobicContact CG2-CD1 4.39Å; V164-L176 HydrophobicContact CG2-CD2 4.23Å; V164-L176 HydrophobicContact CG2-CG 4.46Å; L174-L176 HydrophobicContact CD2-CD2 4.16Å; L176-Q178 VanDerWaalsContact C-N 3.3Å; L176-Q178 WeakPolarHBondContact CB-O 3.21Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; L176-F208 HydrophobicContact CD1-CE1 4.13Å; L176-F208 HydrophobicContact CD1-CZ 3.91Å; L176-F208 HydrophobicContact CD2-CZ 4.3Å; L176-W462 HydrophobicContact CD1-CH2 3.84Å; L176-W462 HydrophobicContact CD1-CZ2 3.86Å
177T87.6Confident88.7Confident110 Ų11059.9 Ų59.968%0.67534%0.335SS*.SBendtrans-64.3-38.8171.5-49.70000111.3S193T177-S193 PolarHBondContact N-O 3.16Å; T177-S193 PolarHBondContact OG1-O 3.01Å
178Q86.6Confident88.6Confident130 Ų13062.3 Ų62.361%0.60734%0.344SS*.SBendtrans-147.2151.7174.164.6-178.745.100109.9L176 M192L176-Q178 VanDerWaalsContact C-N 3.3Å; L176-Q178 WeakPolarHBondContact CB-O 3.21Å; Q178-M192 HydrophobicContact CG-CE 3.92Å; Q178-M192 WeakPolarHBondContact O-CE 3.26Å
179G86.1Confident88.5Confident15 Ų1563.3 Ų63.316%0.15535%0.352CS..  trans-71153.2174.500000112.5
180P90.9Very high88.4Confident0 Ų066.3 Ų66.30%037%0.366CS..  trans-61147.617525.9-35.7000111.6L162 D185 V186 M192 F208 W462 F463L162-P180 HydrophobicContact CD2-CG 4.26Å; P180-D185 HydrophobicContact CB-CB 3.94Å; P180-V186 HydrophobicContact CB-CG1 3.63Å; P180-V186 HydrophobicContact CG-CG1 4.09Å; P180-M192 HydrophobicContact CB-SD 3.78Å; P180-F208 HydrophobicContact CB-CZ 4.38Å; P180-F208 HydrophobicContact CG-CE1 4.08Å; P180-F208 HydrophobicContact CG-CZ 4.25Å; P180-W462 HydrophobicContact CG-CB 4.37Å; P180-W462 HydrophobicContact CG-CD2 3.77Å; P180-W462 HydrophobicContact CG-CE3 4.23Å; P180-W462 HydrophobicContact CG-CG 3.81Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.29Å
181S88.4Confident88.6Confident42 Ų4265.2 Ų65.229%0.29436%0.362SS..  trans-123.6-16.3-175.868.10000114.1D185 G430S181-D185 PolarHBondContact N-OD2 3.36Å; S181-D185 PolarHBondContact OG-OD2 3.13Å; S181-G430 WeakPolarHBondContact O-CA 3.3Å
182C88.4Confident89Confident47 Ų4761.4 Ų61.432%0.31834%0.344SS..SBendtrans-152.4176.5179.165.80000111.8D184 D185 F463C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 2.83Å; C182-D185 PolarHBondContact N-OD2 3.23Å; C182-D185 WeakPolarHBondContact O-CB 3.45Å; C182-D185 PolarHBondContact O-N 3.44Å; C182-F463 VanDerWaalsContact C-CE2 3.44Å
183W89.8Confident89.4Confident35 Ų3561 Ų6113%0.13334%0.337CS..Hα-helixtrans-62-35.6176-78.3116.1000113.5F146 D185 V186 L187 F210 A225 H227 F463 V465F146-W183 HydrophobicContact CB-CH2 4.48Å; F146-W183 AromaticContact CD1-CH2 3.72Å; F146-W183 HydrophobicContact CD1-CH2 3.72Å; F146-W183 AromaticContact CD1-CZ2 3.99Å; F146-W183 HydrophobicContact CD1-CZ2 3.99Å; F146-W183 HydrophobicContact CD1-CZ3 4.4Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.46Å; W183-V186 HydrophobicContact CE3-CG2 3.84Å; 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 2.91Å; W183-V186 VanDerWaalsContact O-N 3.1Å; W183-L187 HydrophobicContact CB-CD1 4.09Å; W183-L187 HydrophobicContact CE3-CD1 4.04Å; W183-L187 HydrophobicContact CE3-CD2 4.33Å; W183-L187 HydrophobicContact CE3-CG 4.1Å; W183-L187 WeakPolarHBondContact O-CB 3.14Å; W183-L187 WeakPolarHBondContact O-CG 3.24Å; W183-L187 PolarHBondContact O-N 2.87Å; W183-F210 HydrophobicContact CE3-CZ 4.36Å; W183-F210 HydrophobicContact CH2-CE1 4.33Å; W183-F210 HydrophobicContact CH2-CZ 4.23Å; W183-F210 HydrophobicContact CZ3-CE1 4.05Å; W183-F210 HydrophobicContact CZ3-CE2 4.24Å; W183-F210 AromaticContact CZ3-CZ 3.51Å; W183-F210 HydrophobicContact CZ3-CZ 3.51Å; W183-A225 HydrophobicContact CH2-CB 4.4Å; W183-A225 HydrophobicContact CZ3-CB 4.01Å; W183-H227 HydrophobicContact CD2-CB 3.6Å; W183-H227 HydrophobicContact CE3-CB 3.77Å; W183-H227 HydrophobicContact CG-CB 4.09Å; W183-H227 HydrophobicContact CH2-CB 4.17Å; W183-H227 HydrophobicContact CZ2-CB 4.01Å; W183-H227 HydrophobicContact CZ3-CB 4.03Å; W183-H227 PolarHBondContact NE1-O 3.05Å; W183-F463 HydrophobicContact CD2-CE2 4.26Å; W183-F463 HydrophobicContact CD2-CZ 4.02Å; W183-F463 HydrophobicContact CE3-CZ 4.13Å; W183-F463 HydrophobicContact CG-CE2 4.24Å; W183-F463 HydrophobicContact CG-CZ 4.32Å; W183-V465 HydrophobicContact CZ2-CG1 4.17Å
184D90.8Very high89.6Confident96 Ų9659.3 Ų59.351%0.51333%0.328SS..Hα-helixtrans-63.3-34.6-178.9-66.4-16.6000112.1C182 V186 I188C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 2.83Å; D184-V186 PolarHBondContact O-N 3.12Å; D184-I188 HydrophobicContact CB-CD1 3.87Å; D184-I188 HydrophobicContact CB-CG1 4.44Å; D184-I188 VanDerWaalsContact O-CB 3.3Å; D184-I188 WeakPolarHBondContact O-CB 3.19Å; D184-I188 WeakPolarHBondContact O-CG1 3.32Å; D184-I188 PolarHBondContact O-N 2.87Å; D184-I188 VanDerWaalsContact O-N 3.12Å
185D91.8Very high89.9Confident13 Ų1365.1 Ų65.17%0.0736%0.355CS..Hα-helixtrans-61.7-30.8177-71.9-22.4000112.4P180 S181 C182 W183 M192 F208P180-D185 HydrophobicContact CB-CB 3.94Å; S181-D185 PolarHBondContact N-OD2 3.36Å; S181-D185 PolarHBondContact OG-OD2 3.13Å; C182-D185 PolarHBondContact N-OD2 3.23Å; C182-D185 WeakPolarHBondContact O-CB 3.45Å; C182-D185 PolarHBondContact O-N 3.44Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.46Å; D185-M192 HydrophobicContact CB-CG 4.07Å; D185-M192 HydrophobicContact CB-SD 3.74Å; D185-M192 WeakPolarHBondContact O-CG 3.28Å; D185-F208 WeakPolarHBondContact O-CE2 3.28Å
186V91.9Very high90Very high12 Ų1261.6 Ų61.67%0.07333%0.333CS..Hα-helixtrans-105-22.4-175-59.20000114.2L162 P180 W183 D184 F208 F210 F463L162-V186 HydrophobicContact CD1-CG1 4.25Å; L162-V186 HydrophobicContact CD2-CG1 4.05Å; P180-V186 HydrophobicContact CB-CG1 3.63Å; P180-V186 HydrophobicContact CG-CG1 4.09Å; W183-V186 HydrophobicContact CE3-CG2 3.84Å; 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 2.91Å; W183-V186 VanDerWaalsContact O-N 3.1Å; D184-V186 PolarHBondContact O-N 3.12Å; V186-F208 HydrophobicContact CB-CB 4Å; V186-F208 HydrophobicContact CB-CD2 4.13Å; V186-F208 HydrophobicContact CB-CG 3.97Å; V186-F208 HydrophobicContact CG1-CB 4.36Å; V186-F208 HydrophobicContact CG1-CD1 3.97Å; V186-F208 HydrophobicContact CG1-CD2 4.04Å; V186-F208 HydrophobicContact CG1-CE1 4.23Å; V186-F208 HydrophobicContact CG1-CE2 4.29Å; V186-F208 HydrophobicContact CG1-CG 3.86Å; V186-F208 HydrophobicContact CG1-CZ 4.39Å; V186-F210 HydrophobicContact CG2-CE2 4.36Å; V186-F210 HydrophobicContact CG2-CZ 4.07Å; V186-F463 HydrophobicContact CG1-CE1 3.9Å; V186-F463 HydrophobicContact CG2-CE1 4.05Å; V186-F463 HydrophobicContact CG2-CZ 3.99Å
187L91.3Very high90.1Very high76 Ų7665.5 Ų65.540%0.39835%0.351SS..Hα-helixtrans-94.8-31.9-179.1-63.4179.6000112.8W183 P189 H227W183-L187 HydrophobicContact CB-CD1 4.09Å; W183-L187 HydrophobicContact CE3-CD1 4.04Å; W183-L187 HydrophobicContact CE3-CD2 4.33Å; W183-L187 HydrophobicContact CE3-CG 4.1Å; W183-L187 WeakPolarHBondContact O-CB 3.14Å; W183-L187 WeakPolarHBondContact O-CG 3.24Å; W183-L187 PolarHBondContact O-N 2.87Å; L187-P189 WeakPolarHBondContact O-CD 3.34Å; L187-H227 HydrophobicContact CD1-CB 4.01Å
188I90.4Very high90Very high86 Ų8661.3 Ų61.344%0.44133%0.326SS..SBendtrans-82.2119.3-179.3-58.6177.4000109.1D184 R191D184-I188 HydrophobicContact CB-CD1 3.87Å; D184-I188 HydrophobicContact CB-CG1 4.44Å; D184-I188 VanDerWaalsContact O-CB 3.3Å; D184-I188 WeakPolarHBondContact O-CB 3.19Å; D184-I188 WeakPolarHBondContact O-CG1 3.32Å; D184-I188 PolarHBondContact O-N 2.87Å; D184-I188 VanDerWaalsContact O-N 3.12Å; I188-R191 HydrophobicContact CB-CB 4.04Å; I188-R191 HydrophobicContact CG2-CB 4.2Å; I188-R191 VanDerWaalsContact O-CB 3.23Å; I188-R191 WeakPolarHBondContact O-CB 3.33Å; I188-R191 PolarHBondContact O-N 3.49Å
189P89.1Confident90.2Very high106 Ų10660.3 Ų60.369%0.68833%0.33SS*.THydrogen-bonded Turntrans-59.8141.7179.8-23.334.1000112.4L187 R191L187-P189 WeakPolarHBondContact O-CD 3.34Å; P189-R191 PolarHBondContact O-N 3.2Å; P189-R191 VanDerWaalsContact O-N 3.13Å
190N89.1Confident90.4Very high104 Ų10468.9 Ų68.956%0.55637%0.366SS*.THydrogen-bonded Turntrans58.119.6178.8-53.8-57.4000115.1S205N190-S205 WeakPolarHBondContact OD1-CB 3.33Å
191R92.2Very high90.3Very high156 Ų15670.1 Ų70.159%0.58937%0.374SS*.  trans-70.9-38.8178.317958.6177.9145.8-1.3112.7I188 P189I188-R191 HydrophobicContact CB-CB 4.04Å; I188-R191 HydrophobicContact CG2-CB 4.2Å; I188-R191 VanDerWaalsContact O-CB 3.23Å; I188-R191 WeakPolarHBondContact O-CB 3.33Å; I188-R191 PolarHBondContact O-N 3.49Å; P189-R191 PolarHBondContact O-N 3.2Å; P189-R191 VanDerWaalsContact O-N 3.13Å
192M91.2Very high90.5Very high11 Ų1173.4 Ų73.45%0.05440%0.395CS..SBendtrans-105.6143.2-179-60.1-161.780.700111.7Q178 P180 D185 A206 F208Q178-M192 HydrophobicContact CG-CE 3.92Å; Q178-M192 WeakPolarHBondContact O-CE 3.26Å; P180-M192 HydrophobicContact CB-SD 3.78Å; D185-M192 HydrophobicContact CB-CG 4.07Å; D185-M192 HydrophobicContact CB-SD 3.74Å; D185-M192 WeakPolarHBondContact O-CG 3.28Å; M192-A206 HydrophobicContact CB-CB 4Å; M192-A206 WeakPolarHBondContact O-CB 3.49Å; M192-A206 PolarHBondContact O-N 3.4Å; M192-F208 HydrophobicContact CB-CE2 4Å; M192-F208 HydrophobicContact CB-CZ 4.47Å; M192-F208 HydrophobicContact CG-CE2 3.91Å; M192-F208 HydrophobicContact CG-CZ 4.38Å; M192-F208 HydrophobicContact SD-CE2 3.52Å; M192-F208 VanDerWaalsContact SD-CE2 3.52Å; M192-F208 HydrophobicContact SD-CZ 3.45Å; M192-F208 WeakPolarHBondContact SD-CZ 3.41Å
193S92.3Very high90.6Very high69 Ų6971.2 Ų71.248%0.48338%0.381SS..BIsolated β-bridgetrans-111.6157.8178.561.50000112.5T177 T204T177-S193 PolarHBondContact N-O 3.16Å; T177-S193 PolarHBondContact OG1-O 3.01Å; S193-T204 CarbonylContact C-O 3.41Å; S193-T204 WeakPolarHBondContact CA-O 3.29Å; S193-T204 WeakPolarHBondContact CB-O 3.33Å
194G91.4Very high90.8Very high8 Ų873.8 Ų73.88%0.08240%0.4CS..EExtended strand (participates in β ladder)trans-165-172.8175.400000110.9T175 T204T175-G194 CarbonylContact O-C 3.59Å; T175-G194 WeakPolarHBondContact O-CA 3.44Å; G194-T204 PolarHBondContact N-O 2.97Å; G194-T204 CarbonylContact O-C 3.57Å; G194-T204 WeakPolarHBondContact O-CA 3.45Å; G194-T204 VanDerWaalsContact O-O 3.07Å
195E91.8Very high90.9Very high136 Ų13670.6 Ų70.664%0.63639%0.385SS*.EExtended strand (participates in β ladder)trans-120.2123.8176.3-173.7176.2-165.700110.1T175 Q197T175-E195 PolarHBondContact N-O 3.21Å; T175-E195 PolarHBondContact O-N 3.29Å; E195-Q197 PolarHBondContact O-NE2 2.65Å
196C90.4Very high91Very high11 Ų1170.2 Ų70.27%0.07438%0.384CS..EExtended strand (participates in β ladder)trans-76.8124.7179.1-172.20000110.7C166 C169 T173 L174 S198 C201 G203C166-C196 HydrophobicContact CB-CB 4.38Å; C169-C196 VanDerWaalsContact SG-SG 3.64Å; T173-C196 PolarHBondContact OG1-SG 3.39Å; L174-C196 HydrophobicContact CD1-CB 4.03Å; C196-S198 VanDerWaalsContact C-N 3.25Å; C196-S198 PolarHBondContact O-N 3.47Å; C196-S198 VanDerWaalsContact SG-CB 3.59Å; C196-C201 HydrophobicContact CB-CB 4.25Å; C196-C201 VanDerWaalsContact SG-SG 3.66Å; C196-G203 VanDerWaalsContact CB-O 3.22Å; C196-G203 WeakPolarHBondContact CB-O 3.4Å; C196-G203 PolarHBondContact N-O 3.46Å
197Q89.9Confident91Very high113 Ų11373 Ų7353%0.52840%0.396SS..  trans-85.95.1179.3-54.2-57.6-51.200113T173 E195T173-Q197 WeakPolarHBondContact O-CB 3.38Å; T173-Q197 WeakPolarHBondContact O-CG 3.45Å; T173-Q197 PolarHBondContact O-N 3.44Å; E195-Q197 PolarHBondContact O-NE2 2.65Å
198S87.2Confident91.1Very high22 Ų2270.6 Ų70.615%0.15438%0.383CS..SBendtrans-74137.5176.3178.40000110.2Q171 C196 H200 C201Q171-S198 PolarHBondContact OE1-OG 3.41Å; C196-S198 VanDerWaalsContact C-N 3.25Å; C196-S198 PolarHBondContact O-N 3.47Å; C196-S198 VanDerWaalsContact SG-CB 3.59Å; S198-H200 PolarHBondContact O-N 3.22Å; S198-C201 PolarHBondContact O-N 3.44Å
199P89.6Confident91.2Very high108 Ų10867.7 Ų67.770%0.70137%0.367SS*.THydrogen-bonded Turntrans-52.5130.4175.3-25.433.7000111.6C201P199-C201 PolarHBondContact O-N 2.82Å; P199-C201 VanDerWaalsContact O-N 3.17Å
200H89.9Confident91.4Very high195 Ų19563.2 Ų63.290%0.90334%0.337SS*.THydrogen-bonded Turntrans58.622.4176.4-50.4-71.2000116S198S198-H200 PolarHBondContact O-N 3.22Å
201C88.8Confident91.4Very high26 Ų2658.7 Ų58.718%0.17631%0.312CS..  trans-95.4119.2175.9-1730000111.2C196 S198 P199 G203C196-C201 HydrophobicContact CB-CB 4.25Å; C196-C201 VanDerWaalsContact SG-SG 3.66Å; S198-C201 PolarHBondContact O-N 3.44Å; P199-C201 PolarHBondContact O-N 2.82Å; P199-C201 VanDerWaalsContact O-N 3.17Å; C201-G203 PolarHBondContact O-N 3.27Å
202P92.9Very high91.4Very high111 Ų11151.3 Ų51.372%0.72128%0.284SS*.  trans-81.413.617635.3-36.9000113.1T204P202-T204 PolarHBondContact O-N 2.87Å
203G91.6Very high91.2Very high2 Ų251.8 Ų51.82%0.02129%0.292CS..  trans-71.9121.3-171.400000112.6T168 C196 C201T168-G203 VanDerWaalsContact OG1-CA 3.29Å; T168-G203 WeakPolarHBondContact OG1-CA 3.39Å; C196-G203 VanDerWaalsContact CB-O 3.22Å; C196-G203 WeakPolarHBondContact CB-O 3.4Å; C196-G203 PolarHBondContact N-O 3.46Å; C201-G203 PolarHBondContact O-N 3.27Å
204T93.6Very high91Very high88 Ų8851.3 Ų51.354%0.5429%0.292SS..  trans-116.6-2-179.555.90000114.1S193 G194 P202S193-T204 CarbonylContact C-O 3.41Å; S193-T204 WeakPolarHBondContact CA-O 3.29Å; S193-T204 WeakPolarHBondContact CB-O 3.33Å; G194-T204 PolarHBondContact N-O 2.97Å; G194-T204 CarbonylContact O-C 3.57Å; G194-T204 WeakPolarHBondContact O-CA 3.45Å; G194-T204 VanDerWaalsContact O-O 3.07Å; P202-T204 PolarHBondContact O-N 2.87Å
205S93.5Very high90.8Very high29 Ų2952.8 Ų52.820%0.20330%0.297CS..BIsolated β-bridgetrans-109.3140.7-175-62.60000112S167 L174 N190S167-S205 PolarHBondContact N-O 3.34Å; S167-S205 VanDerWaalsContact N-O 3.08Å; S167-S205 WeakPolarHBondContact OG-CB 3.19Å; S167-S205 PolarHBondContact OG-O 3.32Å; L174-S205 WeakPolarHBondContact CD2-O 3.31Å; N190-S205 WeakPolarHBondContact OD1-CB 3.33Å
206A92.3Very high90.5Very high5 Ų552.3 Ų52.34%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-87.3135.4176.200000112.3V164 L174 L176 M192 F208V164-A206 HydrophobicContact CG2-CB 3.97Å; L174-A206 HydrophobicContact CD2-CB 3.55Å; L176-A206 HydrophobicContact CD2-CB 3.54Å; M192-A206 HydrophobicContact CB-CB 4Å; M192-A206 WeakPolarHBondContact O-CB 3.49Å; M192-A206 PolarHBondContact O-N 3.4Å; A206-F208 HydrophobicContact CB-CD2 4.47Å; A206-F208 HydrophobicContact CB-CE2 3.88Å; A206-F208 HydrophobicContact CB-CZ 4.27Å
207E93.1Very high90.3Very high70 Ų7053.3 Ų53.333%0.32731%0.311SS..EExtended strand (participates in β ladder)trans-115.8115.9167.9-175.8176.4-13300108.3V164 Q165V164-E207 WeakPolarHBondContact CA-O 3.37Å; Q165-E207 HydrophobicContact CG-CB 4.06Å; Q165-E207 HydrophobicContact CG-CG 4.44Å; Q165-E207 PolarHBondContact N-O 2.93Å; Q165-E207 PolarHBondContact NE2-OE2 3.46Å; Q165-E207 PolarHBondContact O-N 3.31Å
208F92.8Very high90.1Very high27 Ų2750.8 Ų50.812%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-93.5145176.3-66.4-84000110.6L162 R163 V164 L176 P180 D185 V186 M192 A206 W462L162-F208 HydrophobicContact CD1-CB 4.08Å; L162-F208 HydrophobicContact CD1-CD1 3.85Å; L162-F208 HydrophobicContact CD1-CG 4.36Å; L162-F208 HydrophobicContact CG-CD1 4.4Å; R163-F208 WeakPolarHBondContact O-CA 3.18Å; V164-F208 HydrophobicContact CB-CD1 3.8Å; V164-F208 HydrophobicContact CB-CE1 3.72Å; V164-F208 HydrophobicContact CG2-CD1 3.98Å; V164-F208 HydrophobicContact CG2-CE1 3.73Å; V164-F208 HydrophobicContact CG2-CZ 4.07Å; L176-F208 HydrophobicContact CD1-CE1 4.13Å; L176-F208 HydrophobicContact CD1-CZ 3.91Å; L176-F208 HydrophobicContact CD2-CZ 4.3Å; P180-F208 HydrophobicContact CB-CZ 4.38Å; P180-F208 HydrophobicContact CG-CE1 4.08Å; P180-F208 HydrophobicContact CG-CZ 4.25Å; D185-F208 WeakPolarHBondContact O-CE2 3.28Å; V186-F208 HydrophobicContact CB-CB 4Å; V186-F208 HydrophobicContact CB-CD2 4.13Å; V186-F208 HydrophobicContact CB-CG 3.97Å; V186-F208 HydrophobicContact CG1-CB 4.36Å; V186-F208 HydrophobicContact CG1-CD1 3.97Å; V186-F208 HydrophobicContact CG1-CD2 4.04Å; V186-F208 HydrophobicContact CG1-CE1 4.23Å; V186-F208 HydrophobicContact CG1-CE2 4.29Å; V186-F208 HydrophobicContact CG1-CG 3.86Å; V186-F208 HydrophobicContact CG1-CZ 4.39Å; M192-F208 HydrophobicContact CB-CE2 4Å; M192-F208 HydrophobicContact CB-CZ 4.47Å; M192-F208 HydrophobicContact CG-CE2 3.91Å; M192-F208 HydrophobicContact CG-CZ 4.38Å; M192-F208 HydrophobicContact SD-CE2 3.52Å; M192-F208 VanDerWaalsContact SD-CE2 3.52Å; M192-F208 HydrophobicContact SD-CZ 3.45Å; M192-F208 WeakPolarHBondContact SD-CZ 3.41Å; A206-F208 HydrophobicContact CB-CD2 4.47Å; A206-F208 HydrophobicContact CB-CE2 3.88Å; A206-F208 HydrophobicContact CB-CZ 4.27Å; F208-W462 HydrophobicContact CE1-CZ3 4.41Å
209F92.1Very high89.6Confident25 Ų2555.5 Ų55.511%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-147.5157.4173.663.4-88.3000110.2R163 Q165 K211 T222R163-F209 HydrophobicContact CB-CD1 4.3Å; R163-F209 HydrophobicContact CB-CD2 3.95Å; R163-F209 HydrophobicContact CB-CE1 3.8Å; R163-F209 HydrophobicContact CB-CE2 3.39Å; R163-F209 HydrophobicContact CB-CG 4.38Å; R163-F209 HydrophobicContact CB-CZ 3.33Å; R163-F209 HydrophobicContact CG-CE2 3.86Å; R163-F209 HydrophobicContact CG-CZ 4.1Å; R163-F209 PolarHBondContact N-O 3Å; R163-F209 PolarHBondContact O-N 2.93Å; Q165-F209 HydrophobicContact CB-CE1 3.99Å; Q165-F209 HydrophobicContact CG-CD1 4Å; Q165-F209 HydrophobicContact CG-CE1 3.78Å; F209-K211 HydrophobicContact CD2-CG 4.19Å; F209-K211 HydrophobicContact CE2-CD 4.11Å; F209-K211 HydrophobicContact CE2-CG 4.07Å; F209-T222 HydrophobicContact CB-CG2 4.1Å; F209-T222 HydrophobicContact CD2-CG2 3.89Å; F209-T222 HydrophobicContact CG-CG2 4.23Å
210F92.8Very high89.2Confident12 Ų1259.7 Ų59.75%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-114.2149.3-178-66.4-100.9000110.9F146 V148 K161 L162 W183 V186 T222 S223 A225F146-F210 HydrophobicContact CB-CD1 4.25Å; F146-F210 HydrophobicContact CB-CE1 3.94Å; F146-F210 HydrophobicContact CD1-CE1 4.08Å; F146-F210 HydrophobicContact CD2-CE1 4.23Å; F146-F210 HydrophobicContact CG-CD1 4.49Å; F146-F210 AromaticContact CG-CE1 3.8Å; F146-F210 HydrophobicContact CG-CE1 3.8Å; V148-F210 HydrophobicContact CG1-CB 3.64Å; V148-F210 HydrophobicContact CG1-CD1 4.35Å; V148-F210 HydrophobicContact CG1-CG 4.31Å; K161-F210 WeakPolarHBondContact O-CA 3.22Å; L162-F210 HydrophobicContact CB-CD1 4.29Å; L162-F210 HydrophobicContact CB-CE1 4Å; L162-F210 HydrophobicContact CD1-CD1 4.3Å; L162-F210 HydrophobicContact CD1-CD2 4.38Å; L162-F210 HydrophobicContact CD1-CE1 3.81Å; L162-F210 HydrophobicContact CD1-CE2 3.9Å; L162-F210 HydrophobicContact CD1-CZ 3.6Å; L162-F210 HydrophobicContact CG-CE1 4.4Å; W183-F210 HydrophobicContact CE3-CZ 4.36Å; W183-F210 HydrophobicContact CH2-CE1 4.33Å; W183-F210 HydrophobicContact CH2-CZ 4.23Å; W183-F210 HydrophobicContact CZ3-CE1 4.05Å; W183-F210 HydrophobicContact CZ3-CE2 4.24Å; W183-F210 AromaticContact CZ3-CZ 3.51Å; W183-F210 HydrophobicContact CZ3-CZ 3.51Å; V186-F210 HydrophobicContact CG2-CE2 4.36Å; V186-F210 HydrophobicContact CG2-CZ 4.07Å; F210-T222 CarbonylContact O-C 3.58Å; F210-T222 WeakPolarHBondContact O-CA 3.2Å; F210-S223 PolarHBondContact O-N 3Å; F210-A225 HydrophobicContact CB-CB 4.5Å; F210-A225 HydrophobicContact CD1-CB 4.23Å; F210-A225 HydrophobicContact CD2-CB 3.59Å; F210-A225 HydrophobicContact CE1-CB 4.33Å; F210-A225 HydrophobicContact CE2-CB 3.7Å; F210-A225 HydrophobicContact CG-CB 3.86Å; F210-A225 HydrophobicContact CZ-CB 4.06Å
211K89.6Confident89Confident9 Ų955 Ų554%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-128.6159.3176.8-65.9-179.7155.1-171.40110.8G160 K161 R163 F209 G213 T217 S218 D219G160-K211 CarbonylContact C-O 3.46Å; G160-K211 WeakPolarHBondContact CA-O 3.43Å; K161-K211 HydrophobicContact CB-CB 4.44Å; K161-K211 PolarHBondContact N-O 2.96Å; K161-K211 PolarHBondContact O-N 2.93Å; R163-K211 HydrophobicContact CG-CD 4.3Å; F209-K211 HydrophobicContact CD2-CG 4.19Å; F209-K211 HydrophobicContact CE2-CD 4.11Å; F209-K211 HydrophobicContact CE2-CG 4.07Å; K211-G213 PolarHBondContact O-N 3.39Å; K211-T217 PolarHBondContact NZ-O 3.44Å; K211-S218 WeakPolarHBondContact CE-O 3.2Å; K211-S218 VanDerWaalsContact NZ-C 3.27Å; K211-S218 PolarHBondContact NZ-O 3.2Å; K211-D219 VanDerWaalsContact NZ-CA 3.27Å; K211-D219 IonicContact NZ-OD1 3.47Å; K211-D219 PolarHBondContact NZ-OD1 2.97Å
212C92.2Very high89.1Confident0 Ų057.3 Ų57.30%033%0.328CS..EExtended strand (participates in β ladder)trans-66.9130.1170.2-172.70000110.7C150 H215 T217C150-C212 HydrophobicContact CB-CB 4Å; C212-H215 WeakPolarHBondContact CB-NE2 3.47Å; C212-H215 VanDerWaalsContact SG-CD2 3.51Å; C212-H215 PolarHBondContact SG-NE2 2.78Å; C212-T217 HydrophobicContact CB-CG2 4.18Å
213G88.3Confident89.1Confident21 Ų2152.9 Ų52.922%0.21630%0.3CS..SBendtrans-83-21.2177.500000114.5P159 K161 K211 H215P159-G213 WeakPolarHBondContact O-CA 3.48Å; P159-G213 PolarHBondContact O-N 2.8Å; K161-G213 PolarHBondContact NZ-O 3.2Å; K161-G213 VanDerWaalsContact NZ-O 3.07Å; K211-G213 PolarHBondContact O-N 3.39Å; G213-H215 PolarHBondContact O-N 3.15Å
214A88.1Confident89.1Confident59 Ų5955.7 Ų55.749%0.48832%0.317SS..SBendtrans-77-18.2-169.700000114.8Q158Q158-A214 HydrophobicContact CB-CB 4.36Å; Q158-A214 HydrophobicContact CG-CB 4.04Å
215H85.8Confident89.1Confident39 Ų3952.2 Ų52.218%0.18130%0.297CS..SBendtrans-144.2161.5177.157.587.8000110.5C150 C154 C212 G213 T217C150-H215 PolarHBondContact SG-NE2 2.8Å; C154-H215 PolarHBondContact SG-CD2 3.42Å; C212-H215 WeakPolarHBondContact CB-NE2 3.47Å; C212-H215 VanDerWaalsContact SG-CD2 3.51Å; C212-H215 PolarHBondContact SG-NE2 2.78Å; G213-H215 PolarHBondContact O-N 3.15Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.45Å
216P85.9Confident89.1Confident127 Ų12750.9 Ų50.983%0.82529%0.288SS*.  trans-56.9138.4169.3-22.734.5000110.7
217T86.1Confident89.1Confident32 Ų3251.8 Ų51.820%0.19629%0.291CS..  trans-137136-177.940.50000110.6K211 C212 H215 E221K211-T217 PolarHBondContact NZ-O 3.44Å; C212-T217 HydrophobicContact CB-CG2 4.18Å; H215-T217 WeakPolarHBondContact CE1-CG2 3.45Å; T217-E221 WeakPolarHBondContact CA-OE2 3.5Å; T217-E221 HydrophobicContact CG2-CB 4.49Å
218S86.1Confident89.1Confident60 Ų6048.9 Ų48.942%0.4228%0.278SS..  trans-69.1162.7173.675.30000111.3K211 K220 E221K211-S218 WeakPolarHBondContact CE-O 3.2Å; K211-S218 VanDerWaalsContact NZ-C 3.27Å; K211-S218 PolarHBondContact NZ-O 3.2Å; S218-K220 PolarHBondContact O-N 3.24Å; S218-E221 PolarHBondContact N-OE2 2.98Å; S218-E221 PolarHBondContact O-N 3.33Å; S218-E221 VanDerWaalsContact O-N 3.11Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.27Å
219D76.4Confident89.1Confident121 Ų12147.6 Ų47.665%0.64727%0.272SS*.THydrogen-bonded Turntrans-63.8-20.4178.6-67.1-28.1000114.6K211K211-D219 VanDerWaalsContact NZ-CA 3.27Å; K211-D219 IonicContact NZ-OD1 3.47Å; K211-D219 PolarHBondContact NZ-OD1 2.97Å
220K81.6Confident89Confident196 Ų19646.8 Ų46.885%0.85227%0.27SS*.THydrogen-bonded Turntrans-86.5-17.1175.9-61.4-176.6-179.7-178.60113.3S218 T222S218-K220 PolarHBondContact O-N 3.24Å; K220-T222 PolarHBondContact O-N 2.77Å; K220-T222 VanDerWaalsContact O-N 3.13Å
221E85.8Confident88.8Confident97 Ų9747.4 Ų47.445%0.45328%0.275SS..  trans-85.185.8-177.8-77.2170.7164.400111.1T217 S218T217-E221 WeakPolarHBondContact CA-OE2 3.5Å; T217-E221 HydrophobicContact CG2-CB 4.49Å; S218-E221 PolarHBondContact N-OE2 2.98Å; S218-E221 PolarHBondContact O-N 3.33Å; S218-E221 VanDerWaalsContact O-N 3.11Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.27Å
222T90.6Very high88.8Confident73 Ų7347.3 Ų47.345%0.44828%0.275SS..  trans-89.1152.6174.7620000111.5F209 F210 K220F209-T222 HydrophobicContact CB-CG2 4.1Å; F209-T222 HydrophobicContact CD2-CG2 3.89Å; F209-T222 HydrophobicContact CG-CG2 4.23Å; F210-T222 CarbonylContact O-C 3.58Å; F210-T222 WeakPolarHBondContact O-CA 3.2Å; K220-T222 PolarHBondContact O-N 2.77Å; K220-T222 VanDerWaalsContact O-N 3.13Å
223S92.6Very high88.4Confident18 Ų1850.4 Ų50.413%0.12630%0.296CS..BIsolated β-bridgetrans-126.7147.1173-62.20000108.9F210F210-S223 PolarHBondContact O-N 3Å
224V92.4Very high88.1Confident62 Ų6253.6 Ų53.638%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-74.7131.3-178.3179.40000109.3V148 Y149 H302V148-V224 WeakPolarHBondContact CA-O 2.79Å; V148-V224 WeakPolarHBondContact CB-O 2.92Å; Y149-V224 PolarHBondContact N-O 3.45Å; Y149-V224 VanDerWaalsContact N-O 3.12Å; V224-H302 HydrophobicContact CG1-CB 3.91Å
225A92.9Very high88.1Confident15 Ų1555.8 Ų55.812%0.12431%0.305CS..EExtended strand (participates in β ladder)trans-73.3138.3173.300000111.7W183 F210W183-A225 HydrophobicContact CH2-CB 4.4Å; W183-A225 HydrophobicContact CZ3-CB 4.01Å; F210-A225 HydrophobicContact CB-CB 4.5Å; F210-A225 HydrophobicContact CD1-CB 4.23Å; F210-A225 HydrophobicContact CD2-CB 3.59Å; F210-A225 HydrophobicContact CE1-CB 4.33Å; F210-A225 HydrophobicContact CE2-CB 3.7Å; F210-A225 HydrophobicContact CG-CB 3.86Å; F210-A225 HydrophobicContact CZ-CB 4.06Å
226L93.5Very high88.2Confident0 Ų054.9 Ų54.90%030%0.301CS..  trans-10877.9178.4-59.7173.2000108.3Y147 M157 L228 I229 H303 I306Y147-L226 PolarHBondContact O-N 3.27Å; M157-L226 HydrophobicContact CB-CD1 4.46Å; M157-L226 HydrophobicContact CG-CD1 3.96Å; L226-L228 PolarHBondContact O-N 3.41Å; L226-I229 HydrophobicContact CB-CB 4.31Å; L226-I229 HydrophobicContact CB-CD1 3.77Å; L226-I229 HydrophobicContact CB-CG1 4Å; L226-I229 HydrophobicContact CD1-CD1 3.68Å; L226-I229 HydrophobicContact CG-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CB 3.4Å; L226-I229 PolarHBondContact O-N 3.06Å; L226-H303 WeakPolarHBondContact CA-NE2 3.48Å; L226-I306 HydrophobicContact CD1-CG2 3.56Å; L226-I306 HydrophobicContact CD2-CG2 4.48Å
227H91.9Very high88.5Confident24 Ų2450.1 Ų50.111%0.11127%0.27CS..THydrogen-bonded Turntrans-66.3-21.5-169.669.580000114.5W183 L187 I229 Q252 E300 H303W183-H227 HydrophobicContact CD2-CB 3.6Å; W183-H227 HydrophobicContact CE3-CB 3.77Å; W183-H227 HydrophobicContact CG-CB 4.09Å; W183-H227 HydrophobicContact CH2-CB 4.17Å; W183-H227 HydrophobicContact CZ2-CB 4.01Å; W183-H227 HydrophobicContact CZ3-CB 4.03Å; W183-H227 PolarHBondContact NE1-O 3.05Å; L187-H227 HydrophobicContact CD1-CB 4.01Å; H227-I229 PolarHBondContact O-N 3.46Å; H227-Q252 PolarHBondContact CE1-NE2 2.98Å; H227-E300 IonicContact CD2-OE2 3.59Å; H227-E300 IonicContact CE1-OE2 3.46Å; H227-E300 PolarHBondContact CE1-OE2 3.25Å; H227-E300 IonicContact NE2-OE2 2.71Å; H227-E300 PolarHBondContact NE2-OE2 3.29Å; H227-H303 AromaticContact CD2-CE1 3.8Å; H227-H303 PolarHBondContact N-NE2 3.27Å; H227-H303 AromaticContact NE2-CE1 3.8Å
228L93.4Very high88.9Confident9 Ų948.7 Ų48.75%0.04726%0.261CS..THydrogen-bonded Turntrans-75.7-14.4174.1-58179.8000112.3L226 L249 V250 Q252 I298 H303L226-L228 PolarHBondContact O-N 3.41Å; L228-L249 HydrophobicContact CB-CD1 4.49Å; L228-L249 HydrophobicContact CB-CG 4.11Å; L228-L249 CarbonylContact O-C 3.55Å; L228-L249 WeakPolarHBondContact O-CA 3.47Å; L228-V250 PolarHBondContact O-N 3.48Å; L228-Q252 HydrophobicContact CD2-CG 3.55Å; L228-I298 HydrophobicContact CD1-CB 4.48Å; L228-I298 HydrophobicContact CD1-CG1 4.19Å; L228-I298 HydrophobicContact CD1-CG2 3.85Å; L228-H303 WeakPolarHBondContact CB-NE2 3.32Å; L228-H303 WeakPolarHBondContact CG-NE2 3.35Å; L228-H303 PolarHBondContact N-NE2 3.26Å
229I93.2Very high89.2Confident1 Ų145.9 Ų45.91%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-93124.1-179.8-56.2-176.9000109.2Y147 M157 L226 H227 P247 V248 L261 I306Y147-I229 HydrophobicContact CD2-CB 4.32Å; Y147-I229 HydrophobicContact CD2-CG2 3.64Å; Y147-I229 HydrophobicContact CE2-CG2 4.28Å; Y147-I229 HydrophobicContact CG-CB 4.48Å; Y147-I229 HydrophobicContact CG-CG2 3.81Å; M157-I229 HydrophobicContact CG-CD1 4.45Å; M157-I229 HydrophobicContact SD-CD1 3.64Å; M157-I229 HydrophobicContact SD-CG2 3.91Å; L226-I229 HydrophobicContact CB-CB 4.31Å; L226-I229 HydrophobicContact CB-CD1 3.77Å; L226-I229 HydrophobicContact CB-CG1 4Å; L226-I229 HydrophobicContact CD1-CD1 3.68Å; L226-I229 HydrophobicContact CG-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CB 3.4Å; L226-I229 PolarHBondContact O-N 3.06Å; H227-I229 PolarHBondContact O-N 3.46Å; I229-P247 HydrophobicContact CG2-CB 3.78Å; I229-P247 HydrophobicContact CG2-CG 4.16Å; I229-V248 CarbonylContact C-O 3.59Å; I229-V248 WeakPolarHBondContact CA-O 3.05Å; I229-L261 HydrophobicContact CD1-CD2 4.13Å; I229-L261 HydrophobicContact CG1-CD2 4.43Å; I229-I306 HydrophobicContact CD1-CD1 4.17Å; I229-I306 HydrophobicContact CD1-CG2 4.25Å
230A89.9Confident89.8Confident7 Ų742.3 Ų42.36%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-127.5151.2-179.600000111.6N232 P247 V248 V250 W403A230-N232 PolarHBondContact O-N 3.35Å; A230-P247 WeakPolarHBondContact O-CA 3.49Å; A230-P247 WeakPolarHBondContact O-CB 3.18Å; A230-V248 PolarHBondContact N-O 3.27Å; A230-V248 PolarHBondContact O-N 3.49Å; A230-V250 HydrophobicContact CB-CG2 4.37Å; A230-W403 HydrophobicContact CB-CH2 3.91Å; A230-W403 HydrophobicContact CB-CZ2 3.95Å
231T89.6Confident90.2Very high26 Ų2634.9 Ų34.916%0.1620%0.196CC..  trans-69.9126.5168.7-65.30000108.7N144 Y147 S233N144-T231 PolarHBondContact O-OG1 3.5Å; Y147-T231 WeakPolarHBondContact CE2-OG1 3.2Å; Y147-T231 PolarHBondContact OH-OG1 2.89Å; T231-S233 PolarHBondContact O-N 2.95Å
232N89.4Confident90.3Very high7 Ų733.8 Ų33.84%0.03720%0.197CC..  trans-8064.2-177.4-167.28.5000112.1A230 R234 N235 I236 R245 S246 V248A230-N232 PolarHBondContact O-N 3.35Å; N232-R234 PolarHBondContact O-N 3.17Å; N232-N235 PolarHBondContact O-N 3.43Å; N232-N235 PolarHBondContact OD1-N 2.87Å; N232-I236 PolarHBondContact ND2-N 3.2Å; N232-I236 PolarHBondContact ND2-O 3.33Å; N232-I236 PolarHBondContact OD1-N 3.07Å; N232-R245 WeakPolarHBondContact CB-O 3.31Å; N232-R245 PolarHBondContact ND2-O 3.41Å; N232-S246 PolarHBondContact N-OG 3.31Å; N232-S246 VanDerWaalsContact N-OG 3.16Å; N232-V248 HydrophobicContact CB-CG1 4.03Å; N232-V248 HydrophobicContact CB-CG2 3.98Å
233S83.1Confident90.4Very high65 Ų6534.6 Ų34.646%0.45520%0.198SC..THydrogen-bonded Turntrans-68.1-16.9176.256.50000113.1T231T231-S233 PolarHBondContact O-N 2.95Å
234R82.8Confident90.2Very high88 Ų8836.5 Ų36.533%0.33221%0.209SC..THydrogen-bonded Turntrans-90.8-1.9-177.8-59.8177.5-162.4-166.44.1113.3N232 I236 W403 V465N232-R234 PolarHBondContact O-N 3.17Å; R234-I236 HydrophobicContact CB-CD1 3.98Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 2.87Å; R234-W403 VanDerWaalsContact CZ-CE2 3.44Å; R234-W403 VanDerWaalsContact CZ-NE1 3.33Å; R234-W403 PolarHBondContact NH1-O 2.94Å; R234-V465 PolarHBondContact NH2-O 3.35Å
235N86.5Confident90.1Very high104 Ų10436.1 Ų36.156%0.55620%0.201SC*.  trans51.938.8-176.7-61.3-45.5000113.6N232 V244N232-N235 PolarHBondContact O-N 3.43Å; N232-N235 PolarHBondContact OD1-N 2.87Å; N235-V244 HydrophobicContact CB-CG1 4.09Å
236I88.8Confident90Very high20 Ų2037 Ų3710%0.10321%0.206CC..PPolyproline II helixtrans-74.4137.5178.7-53.8-60.4000109.5N232 R234 V258 W403N232-I236 PolarHBondContact ND2-N 3.2Å; N232-I236 PolarHBondContact ND2-O 3.33Å; N232-I236 PolarHBondContact OD1-N 3.07Å; R234-I236 HydrophobicContact CB-CD1 3.98Å; R234-I236 HydrophobicContact CB-CG1 3.71Å; R234-I236 PolarHBondContact O-N 2.87Å; 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 3.75Å; I236-W403 HydrophobicContact CG1-CE3 4.22Å
237T92Very high89.9Confident27 Ų2738.2 Ų38.217%0.16621%0.214CC..BIsolated β-bridgetrans-74.8150177.752.40000111.4T242 V244 A401T237-T242 VanDerWaalsContact CB-O 3.26Å; T237-T242 WeakPolarHBondContact CB-O 3.37Å; T237-T242 WeakPolarHBondContact CG2-O 3.49Å; T237-V244 HydrophobicContact CG2-CG2 3.81Å; T237-A401 WeakPolarHBondContact O-CA 3.49Å; T237-A401 VanDerWaalsContact O-CB 3.31Å; T237-A401 WeakPolarHBondContact O-CB 3.32Å
238C93.8Very high90Very high2 Ų237.1 Ų37.11%0.01421%0.209CC..PPolyproline II helixtrans-69.5134.7173.2178.10000110.8T240 C241 T242 D243 C260C238-T240 PolarHBondContact O-N 3.06Å; C238-T240 VanDerWaalsContact O-N 3.16Å; C238-C241 VanDerWaalsContact CB-SG 3.52Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C238-T242 WeakPolarHBondContact O-CA 3.36Å; C238-T242 PolarHBondContact O-N 3Å; C238-D243 WeakPolarHBondContact CB-O 3.08Å; C238-D243 PolarHBondContact N-O 3.48Å; C238-C260 HydrophobicContact CB-CB 4.14Å; C238-C260 PolarHBondContact SG-N 3.42Å; C238-C260 VanDerWaalsContact SG-SG 3.61Å
239I93.3Very high90.1Very high2 Ų236.7 Ų36.71%0.0121%0.206CC..THydrogen-bonded Turntrans-58.7-28.2177.8-171.9160.2000114.5H257 V258 I259 V290 A291 V393 A398 A401I239-H257 HydrophobicContact CD1-CB 3.77Å; I239-V258 WeakPolarHBondContact CB-O 3.47Å; I239-V258 VanDerWaalsContact CG2-O 3.28Å; I239-V258 WeakPolarHBondContact CG2-O 3.21Å; I239-V258 PolarHBondContact N-O 3.32Å; I239-I259 HydrophobicContact CG2-CB 3.96Å; I239-I259 HydrophobicContact CG2-CD1 4.4Å; I239-I259 HydrophobicContact CG2-CG1 4.11Å; I239-V290 HydrophobicContact CD1-CG1 4.18Å; I239-V290 HydrophobicContact CG1-CG1 4.4Å; I239-V290 HydrophobicContact CG2-CG1 3.5Å; I239-V290 VanDerWaalsContact CG2-CG1 3.5Å; I239-A291 HydrophobicContact CD1-CB 3.97Å; I239-V393 HydrophobicContact CD1-CG1 3.91Å; I239-V393 HydrophobicContact CG1-CG1 3.41Å; I239-V393 VanDerWaalsContact CG1-CG1 3.41Å; I239-A398 HydrophobicContact CD1-CB 4.02Å; I239-A398 HydrophobicContact CG1-CB 4.35Å; I239-A401 HydrophobicContact CB-CB 3.63Å; I239-A401 HydrophobicContact CG1-CB 4.26Å
240T89.2Confident90.1Very high46 Ų4636.9 Ų36.928%0.28221%0.208SC..THydrogen-bonded Turntrans-98.6-49.1-175.1-55.80000112.8C238 C263 Y391C238-T240 PolarHBondContact O-N 3.06Å; C238-T240 VanDerWaalsContact O-N 3.16Å; T240-C263 HydrophobicContact CG2-CB 4.38Å; T240-Y391 VanDerWaalsContact CG2-OH 3.24Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.39Å; T240-Y391 PolarHBondContact OG1-OH 2.98Å; T240-Y391 VanDerWaalsContact OG1-OH 3.13Å
241C88.9Confident90.3Very high39 Ų3936.6 Ų36.626%0.26421%0.205SC..THydrogen-bonded Turntrans-101.4-5.2-176.570.20000114.1C238 D243C238-C241 VanDerWaalsContact CB-SG 3.52Å; C238-C241 VanDerWaalsContact SG-SG 3.67Å; C241-D243 PolarHBondContact O-N 3.3Å; C241-D243 PolarHBondContact SG-OD2 3.25Å
242T89.5Confident90.4Very high75 Ų7539.1 Ų39.146%0.4622%0.215SC..  trans61.7-3.8-176.4680000116T237 C238 A397T237-T242 VanDerWaalsContact CB-O 3.26Å; T237-T242 WeakPolarHBondContact CB-O 3.37Å; T237-T242 WeakPolarHBondContact CG2-O 3.49Å; C238-T242 WeakPolarHBondContact O-CA 3.36Å; C238-T242 PolarHBondContact O-N 3Å; T242-A397 HydrophobicContact CG2-CB 3.93Å
243D90.9Very high90.6Very high90 Ų9039.1 Ų39.148%0.48122%0.216SC..  trans-71148.2175.6-59.6-37.7000112.5C238 C241 R245C238-D243 WeakPolarHBondContact CB-O 3.08Å; C238-D243 PolarHBondContact N-O 3.48Å; C241-D243 PolarHBondContact O-N 3.3Å; C241-D243 PolarHBondContact SG-OD2 3.25Å; D243-R245 HydrophobicContact CB-CG 4.09Å
244V90.2Very high90.9Very high57 Ų5743.7 Ų43.735%0.34524%0.235SC..BIsolated β-bridgetrans-87.1111.4168.8-176.50000108.8N235 T237N235-V244 HydrophobicContact CB-CG1 4.09Å; T237-V244 HydrophobicContact CG2-CG2 3.81Å
245R89.9Confident91.1Very high55 Ų5541 Ų4121%0.20823%0.23CC..  trans-124.8161-179.5-58.9-71.8-74.4114.47110.3N232 D243 V248 C260 D262N232-R245 WeakPolarHBondContact CB-O 3.31Å; N232-R245 PolarHBondContact ND2-O 3.41Å; D243-R245 HydrophobicContact CB-CG 4.09Å; R245-V248 WeakPolarHBondContact O-CG1 3.34Å; R245-C260 HydrophobicContact CB-CB 3.77Å; R245-C260 HydrophobicContact CG-CB 3.92Å; R245-D262 IonicContact CZ-OD2 2.89Å; R245-D262 IonicContact NE-OD2 2.63Å; R245-D262 IonicContact NH2-OD2 2.97Å; R245-D262 PolarHBondContact NH2-OD2 3.28Å
246S89.6Confident91.3Very high34 Ų3439.9 Ų39.924%0.23822%0.218CC..SBendtrans-148.2132.1174.1-170.40000111Q78 N232Q78-S246 PolarHBondContact NE2-O 3.37Å; N232-S246 PolarHBondContact N-OG 3.31Å; N232-S246 VanDerWaalsContact N-OG 3.16Å
247P91.9Very high91.6Very high24 Ų2439.3 Ų39.316%0.15622%0.215CC..SBendcis-77.5170.9-1.130.6-33.9000114Y147 M157 I229 A230 L261Y147-P247 HydrophobicContact CD1-CG 4.27Å; Y147-P247 HydrophobicContact CD2-CB 4.29Å; Y147-P247 HydrophobicContact CE1-CB 4.04Å; Y147-P247 HydrophobicContact CE1-CG 3.73Å; Y147-P247 HydrophobicContact CE2-CB 3.64Å; Y147-P247 HydrophobicContact CE2-CG 4.25Å; Y147-P247 VanDerWaalsContact CZ-CB 3.48Å; M157-P247 HydrophobicContact CE-CG 3.39Å; M157-P247 HydrophobicContact SD-CG 4.13Å; I229-P247 HydrophobicContact CG2-CB 3.78Å; I229-P247 HydrophobicContact CG2-CG 4.16Å; A230-P247 WeakPolarHBondContact O-CA 3.49Å; A230-P247 WeakPolarHBondContact O-CB 3.18Å; P247-L261 HydrophobicContact CG-CD1 3.89Å
248V93.5Very high91.7Very high1 Ų138 Ų381%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-128.5154.6179.8-650000110.7I229 A230 N232 R245 V258 W403I229-V248 CarbonylContact C-O 3.59Å; I229-V248 WeakPolarHBondContact CA-O 3.05Å; A230-V248 PolarHBondContact N-O 3.27Å; A230-V248 PolarHBondContact O-N 3.49Å; N232-V248 HydrophobicContact CB-CG1 4.03Å; N232-V248 HydrophobicContact CB-CG2 3.98Å; R245-V248 WeakPolarHBondContact O-CG1 3.34Å; V248-V258 HydrophobicContact CB-CG1 3.53Å; V248-V258 HydrophobicContact CG1-CG1 3.86Å; V248-V258 HydrophobicContact CG2-CG1 3.54Å; V248-W403 HydrophobicContact CG2-CZ3 4.14Å
249L95.3Very high91.8Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-96.7132.9170.5-176.3150.2000109.2L228 F251 I259 L261 F264L228-L249 HydrophobicContact CB-CD1 4.49Å; L228-L249 HydrophobicContact CB-CG 4.11Å; L228-L249 CarbonylContact O-C 3.55Å; L228-L249 WeakPolarHBondContact O-CA 3.47Å; L249-F251 HydrophobicContact CD2-CD1 4.1Å; L249-F251 HydrophobicContact CD2-CD2 4.25Å; L249-F251 HydrophobicContact CD2-CE1 4.08Å; L249-F251 HydrophobicContact CD2-CE2 4.23Å; L249-F251 HydrophobicContact CD2-CG 4.2Å; L249-F251 HydrophobicContact CD2-CZ 4.14Å; L249-I259 HydrophobicContact CB-CG2 3.91Å; L249-I259 HydrophobicContact CD2-CG2 3.88Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 3.48Å; L249-I259 PolarHBondContact O-N 2.92Å; L249-L261 HydrophobicContact CB-CD2 4.21Å; L249-F264 HydrophobicContact CD1-CD1 4.27Å; L249-F264 HydrophobicContact CD1-CD2 3.97Å; L249-F264 HydrophobicContact CD1-CE1 4.12Å; L249-F264 HydrophobicContact CD1-CE2 3.83Å; L249-F264 HydrophobicContact CD1-CG 4.18Å; L249-F264 HydrophobicContact CD1-CZ 3.89Å; L249-F264 HydrophobicContact CD2-CD2 4.35Å; L249-F264 HydrophobicContact CD2-CE2 4.38Å
250V94.4Very high91.8Very high6 Ų638 Ų384%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-109.7115.6179.2-173.20000108.7L228 A230 R256 V258 W403L228-V250 PolarHBondContact O-N 3.48Å; A230-V250 HydrophobicContact CB-CG2 4.37Å; V250-R256 HydrophobicContact CG1-CB 3.88Å; V250-V258 HydrophobicContact CG2-CG2 4.38Å; V250-W403 HydrophobicContact CG1-CB 3.85Å; V250-W403 HydrophobicContact CG1-CG 3.99Å; V250-W403 HydrophobicContact CG2-CD2 3.94Å; V250-W403 HydrophobicContact CG2-CE3 3.99Å; V250-W403 HydrophobicContact CG2-CG 4.25Å; V250-W403 HydrophobicContact CG2-CZ3 4.46Å
251F94.6Very high92Very high1 Ų137.1 Ų37.10%0.00420%0.2CC..  trans-69.5150.2176.9-73.6-75.9000111.8L249 C253 R256 H257 I259 F264 P288 C289 V290 I298L249-F251 HydrophobicContact CD2-CD1 4.1Å; L249-F251 HydrophobicContact CD2-CD2 4.25Å; L249-F251 HydrophobicContact CD2-CE1 4.08Å; L249-F251 HydrophobicContact CD2-CE2 4.23Å; L249-F251 HydrophobicContact CD2-CG 4.2Å; L249-F251 HydrophobicContact CD2-CZ 4.14Å; F251-C253 PolarHBondContact O-N 3.09Å; F251-C253 VanDerWaalsContact O-N 3.13Å; F251-R256 WeakPolarHBondContact O-CA 3.49Å; F251-H257 HydrophobicContact CD2-CB 4.46Å; F251-H257 PolarHBondContact N-O 2.88Å; F251-I259 HydrophobicContact CD2-CG2 4.22Å; F251-I259 HydrophobicContact CE2-CB 4.04Å; F251-I259 HydrophobicContact CE2-CD1 4.42Å; F251-I259 HydrophobicContact CE2-CG2 3.51Å; F251-I259 HydrophobicContact CZ-CG2 4.08Å; F251-F264 HydrophobicContact CE1-CE2 4.48Å; F251-F264 HydrophobicContact CZ-CD2 4.29Å; F251-F264 HydrophobicContact CZ-CE2 4.35Å; F251-P288 WeakPolarHBondContact CE1-O 3.14Å; F251-C289 HydrophobicContact CB-CB 4.13Å; F251-C289 HydrophobicContact CD1-CB 4.19Å; F251-C289 HydrophobicContact CD2-CB 4.29Å; F251-C289 HydrophobicContact CG-CB 3.97Å; F251-V290 HydrophobicContact CE2-CB 4.44Å; F251-V290 HydrophobicContact CE2-CG1 4.27Å; F251-I298 HydrophobicContact CD1-CG1 4.44Å; F251-I298 HydrophobicContact CE1-CD1 4.08Å; F251-I298 HydrophobicContact CE1-CG1 4.32Å
252Q91.6Very high92Very high79 Ų7936.9 Ų36.937%0.36920%0.196SC..SBendtrans-84.736.7175.2-62.7-175.9-27.900112.5H227 L228H227-Q252 PolarHBondContact CE1-NE2 2.98Å; L228-Q252 HydrophobicContact CD2-CG 3.55Å
253C92.1Very high92.1Very high7 Ų733.9 Ų33.95%0.04718%0.178CC..SBendtrans-86.8165.5171.659.60000110.8F251 S255 R256 H257 C289 C293F251-C253 PolarHBondContact O-N 3.09Å; F251-C253 VanDerWaalsContact O-N 3.13Å; C253-S255 PolarHBondContact O-N 2.97Å; C253-S255 VanDerWaalsContact O-N 3.12Å; C253-R256 WeakPolarHBondContact O-CG 3.29Å; C253-R256 PolarHBondContact O-N 3.45Å; C253-R256 PolarHBondContact SG-N 3.23Å; C253-H257 PolarHBondContact SG-N 2.84Å; C253-H257 PolarHBondContact SG-ND1 2.8Å; C253-C289 HydrophobicContact CB-CB 4.26Å; C253-C293 HydrophobicContact CB-CB 3.59Å
254N90Very high92.3Very high160 Ų16029.6 Ų29.686%0.85616%0.155SC*.THydrogen-bonded Turntrans-53.9-34.2178.8-173.266.9000113.5
255S87.6Confident92.3Very high33 Ų3327.7 Ų27.723%0.23114%0.143CC..THydrogen-bonded Turntrans-89.7-4.5179.5-53.30000113.9C253 H257 R402C253-S255 PolarHBondContact O-N 2.97Å; C253-S255 VanDerWaalsContact O-N 3.12Å; S255-H257 PolarHBondContact O-N 2.93Å; S255-R402 WeakPolarHBondContact O-CB 3.26Å
256R91.4Very high92.3Very high79 Ų7925.8 Ų25.830%0.29814%0.136SC..  trans42.759.9-174.1-62.6-169.376.2-178.31.7112.9V250 F251 C253 W403 E404V250-R256 HydrophobicContact CG1-CB 3.88Å; F251-R256 WeakPolarHBondContact O-CA 3.49Å; C253-R256 WeakPolarHBondContact O-CG 3.29Å; C253-R256 PolarHBondContact O-N 3.45Å; C253-R256 PolarHBondContact SG-N 3.23Å; R256-W403 HydrophobicContact CB-CB 3.88Å; R256-W403 WeakPolarHBondContact O-CB 3.4Å; R256-W403 PolarHBondContact O-N 2.8Å; R256-E404 WeakPolarHBondContact CD-OE1 3.3Å; R256-E404 IonicContact CZ-OE1 2.91Å; R256-E404 IonicContact NE-OE1 3.93Å; R256-E404 IonicContact NH1-OE1 2.67Å; R256-E404 PolarHBondContact NH1-OE1 3.44Å
257H93.3Very high92.4Very high9 Ų925.1 Ų25.14%0.04213%0.129CC..BIsolated β-bridgetrans-62.1138.3-179-71.4123.5000111.8I239 F251 C253 S255 C289 C293 A398 A401I239-H257 HydrophobicContact CD1-CB 3.77Å; F251-H257 HydrophobicContact CD2-CB 4.46Å; F251-H257 PolarHBondContact N-O 2.88Å; C253-H257 PolarHBondContact SG-N 2.84Å; C253-H257 PolarHBondContact SG-ND1 2.8Å; S255-H257 PolarHBondContact O-N 2.93Å; H257-C289 PolarHBondContact ND1-SG 2.89Å; H257-C293 VanDerWaalsContact CE1-SG 3.59Å; H257-C293 PolarHBondContact ND1-SG 3.08Å; H257-A398 PolarHBondContact CD2-O 3.01Å; H257-A398 VanDerWaalsContact CD2-O 3.25Å; H257-A398 PolarHBondContact NE2-O 2.93Å; H257-A401 CarbonylContact C-O 3.53Å; H257-A401 WeakPolarHBondContact CA-O 3.3Å
258V94.4Very high92.4Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-102.4129.8-177.1-179.10000110I236 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 3.75Å; I239-V258 WeakPolarHBondContact CB-O 3.47Å; I239-V258 VanDerWaalsContact CG2-O 3.28Å; I239-V258 WeakPolarHBondContact CG2-O 3.21Å; I239-V258 PolarHBondContact N-O 3.32Å; V248-V258 HydrophobicContact CB-CG1 3.53Å; V248-V258 HydrophobicContact CG1-CG1 3.86Å; V248-V258 HydrophobicContact CG2-CG1 3.54Å; V250-V258 HydrophobicContact CG2-CG2 4.38Å; V258-A401 WeakPolarHBondContact CB-O 3.45Å; V258-A401 WeakPolarHBondContact CG2-O 3.2Å; V258-A401 PolarHBondContact N-O 3.32Å; V258-W403 HydrophobicContact CG2-CB 3.95Å; V258-W403 HydrophobicContact CG2-CE3 3.81Å
259I95.3Very high92.3Very high0 Ų023.9 Ų23.90%012%0.121CC..EExtended strand (participates in β ladder)trans-128.3136.9174.6-167.2170.4000109.8I239 L249 F251 C263 F264 V290I239-I259 HydrophobicContact CG2-CB 3.96Å; I239-I259 HydrophobicContact CG2-CD1 4.4Å; I239-I259 HydrophobicContact CG2-CG1 4.11Å; L249-I259 HydrophobicContact CB-CG2 3.91Å; L249-I259 HydrophobicContact CD2-CG2 3.88Å; L249-I259 HydrophobicContact CG-CG2 4.48Å; L249-I259 PolarHBondContact N-O 3.48Å; L249-I259 PolarHBondContact O-N 2.92Å; F251-I259 HydrophobicContact CD2-CG2 4.22Å; F251-I259 HydrophobicContact CE2-CB 4.04Å; F251-I259 HydrophobicContact CE2-CD1 4.42Å; F251-I259 HydrophobicContact CE2-CG2 3.51Å; F251-I259 HydrophobicContact CZ-CG2 4.08Å; I259-C263 HydrophobicContact CD1-CB 3.93Å; I259-C263 HydrophobicContact CG1-CB 3.68Å; I259-F264 HydrophobicContact CD1-CB 4.37Å; I259-F264 HydrophobicContact CG1-CB 4.5Å; I259-F264 HydrophobicContact CG2-CB 4.17Å; I259-F264 HydrophobicContact CG2-CD2 4.19Å; I259-V290 HydrophobicContact CD1-CB 4.37Å; I259-V290 HydrophobicContact CD1-CG1 4.2Å
260C94.3Very high91.9Very high3 Ų324.3 Ų24.32%0.0212%0.123CC..EExtended strand (participates in β ladder)trans-71.4155.4173.274.90000110.6C238 R245 D262 C263 F264C238-C260 HydrophobicContact CB-CB 4.14Å; C238-C260 PolarHBondContact SG-N 3.42Å; C238-C260 VanDerWaalsContact SG-SG 3.61Å; R245-C260 HydrophobicContact CB-CB 3.77Å; R245-C260 HydrophobicContact CG-CB 3.92Å; C260-D262 PolarHBondContact O-N 3.16Å; C260-C263 PolarHBondContact O-N 3.47Å; C260-C263 PolarHBondContact SG-N 2.9Å; C260-C263 VanDerWaalsContact SG-N 3.36Å; C260-C263 PolarHBondContact SG-SG 3.11Å; C260-F264 WeakPolarHBondContact O-CB 3.37Å; C260-F264 PolarHBondContact O-N 2.98Å
261L92.4Very high91.6Very high28 Ų2825.8 Ų25.815%0.14713%0.128CC..Hα-helixtrans-65.4-23.8-178.1-59.2-174.8000113.4R72 M157 I229 P247 L249 H265 I306R72-L261 PolarHBondContact NH1-O 3.28Å; R72-L261 PolarHBondContact NH2-O 3.22Å; M157-L261 HydrophobicContact CE-CD1 3.64Å; M157-L261 HydrophobicContact SD-CD1 3.55Å; M157-L261 VanDerWaalsContact SD-CD1 3.55Å; I229-L261 HydrophobicContact CD1-CD2 4.13Å; I229-L261 HydrophobicContact CG1-CD2 4.43Å; P247-L261 HydrophobicContact CG-CD1 3.89Å; L249-L261 HydrophobicContact CB-CD2 4.21Å; L261-H265 PolarHBondContact O-N 2.83Å; L261-I306 HydrophobicContact CD2-CD1 4.24Å
262D90.8Very high91.3Very high33 Ų3326 Ų2618%0.17613%0.13CC..Hα-helixtrans-66.3-54.8174.6-62.6-42.6000110.2R72 R245 C260 F264 H265 L266R72-D262 IonicContact CZ-OD1 3.96Å; R72-D262 IonicContact NE-OD1 3.42Å; R72-D262 PolarHBondContact NE-OD1 2.98Å; R72-D262 PolarHBondContact NH1-O 2.89Å; R72-D262 IonicContact NH1-OD1 3.92Å; R72-D262 IonicContact NH2-OD1 2.78Å; R72-D262 PolarHBondContact NH2-OD1 2.96Å; R245-D262 IonicContact CZ-OD2 2.89Å; R245-D262 IonicContact NE-OD2 2.63Å; R245-D262 IonicContact NH2-OD2 2.97Å; R245-D262 PolarHBondContact NH2-OD2 3.28Å; C260-D262 PolarHBondContact O-N 3.16Å; D262-F264 VanDerWaalsContact C-N 3.35Å; D262-F264 PolarHBondContact O-N 3.18Å; D262-H265 PolarHBondContact O-N 3.19Å; D262-L266 WeakPolarHBondContact O-CD1 3.46Å; D262-L266 WeakPolarHBondContact O-CG 3.48Å; D262-L266 PolarHBondContact O-N 3.36Å
263C91.1Very high91Very high12 Ų1222.3 Ų22.38%0.08111%0.112CC..Hα-helixtrans-63.2-36.7175-68.50000113.1T240 I259 C260 H265 L266 Y267T240-C263 HydrophobicContact CG2-CB 4.38Å; I259-C263 HydrophobicContact CD1-CB 3.93Å; I259-C263 HydrophobicContact CG1-CB 3.68Å; C260-C263 PolarHBondContact O-N 3.47Å; C260-C263 PolarHBondContact SG-N 2.9Å; C260-C263 VanDerWaalsContact SG-N 3.36Å; C260-C263 PolarHBondContact SG-SG 3.11Å; C263-H265 PolarHBondContact O-N 2.89Å; C263-L266 PolarHBondContact O-N 3.45Å; C263-Y267 WeakPolarHBondContact O-CB 3.47Å; C263-Y267 PolarHBondContact O-N 3.12Å
264F94.3Very high90.7Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-61.4-43.9178.4-179.1-102.5000112.5L249 F251 I259 C260 D262 Y267 C268 I298 F304 I306L249-F264 HydrophobicContact CD1-CD1 4.27Å; L249-F264 HydrophobicContact CD1-CD2 3.97Å; L249-F264 HydrophobicContact CD1-CE1 4.12Å; L249-F264 HydrophobicContact CD1-CE2 3.83Å; L249-F264 HydrophobicContact CD1-CG 4.18Å; L249-F264 HydrophobicContact CD1-CZ 3.89Å; L249-F264 HydrophobicContact CD2-CD2 4.35Å; L249-F264 HydrophobicContact CD2-CE2 4.38Å; F251-F264 HydrophobicContact CE1-CE2 4.48Å; F251-F264 HydrophobicContact CZ-CD2 4.29Å; F251-F264 HydrophobicContact CZ-CE2 4.35Å; I259-F264 HydrophobicContact CD1-CB 4.37Å; I259-F264 HydrophobicContact CG1-CB 4.5Å; I259-F264 HydrophobicContact CG2-CB 4.17Å; I259-F264 HydrophobicContact CG2-CD2 4.19Å; C260-F264 WeakPolarHBondContact O-CB 3.37Å; C260-F264 PolarHBondContact O-N 2.98Å; D262-F264 VanDerWaalsContact C-N 3.35Å; D262-F264 PolarHBondContact O-N 3.18Å; F264-Y267 WeakPolarHBondContact O-CB 3.48Å; F264-Y267 PolarHBondContact O-N 3.22Å; F264-C268 VanDerWaalsContact CE1-SG 3.57Å; F264-C268 WeakPolarHBondContact CZ-SG 3.35Å; F264-C268 PolarHBondContact O-N 3.37Å; F264-C268 PolarHBondContact O-SG 3.31Å; F264-I298 HydrophobicContact CE2-CD1 3.7Å; F264-I298 HydrophobicContact CZ-CD1 3.78Å; F264-F304 HydrophobicContact CZ-CD1 4.32Å; F264-F304 HydrophobicContact CZ-CE1 4.14Å; F264-I306 HydrophobicContact CD1-CD1 3.61Å; F264-I306 HydrophobicContact CD1-CG1 4.16Å; F264-I306 HydrophobicContact CE1-CD1 3.59Å; F264-I306 HydrophobicContact CE1-CG1 4.04Å
265H91.8Very high90.4Very high17 Ų1718.4 Ų18.48%0.0799%0.088CC..Hα-helixtrans-66.8-41.3176.5180-66.3000112.5R72 L261 D262 C263 Y267 C268 V269 L307R72-H265 VanDerWaalsContact NH1-CG 3.34Å; L261-H265 PolarHBondContact O-N 2.83Å; D262-H265 PolarHBondContact O-N 3.19Å; C263-H265 PolarHBondContact O-N 2.89Å; H265-Y267 VanDerWaalsContact C-N 3.27Å; H265-Y267 PolarHBondContact O-N 3.35Å; H265-C268 PolarHBondContact O-N 2.91Å; H265-V269 WeakPolarHBondContact O-CG2 3.38Å; H265-V269 PolarHBondContact O-N 3.49Å; H265-L307 HydrophobicContact CB-CD2 3.97Å
266L89.9Confident90.5Very high15 Ų1520.3 Ų20.38%0.0799%0.093CC..Hα-helixtrans-58.2-46.5175.6-67.2161.3000109.2R42 I44 V70 D262 C263 V269 T270R42-L266 HydrophobicContact CB-CD2 4.15Å; I44-L266 HydrophobicContact CD1-CB 3.96Å; I44-L266 HydrophobicContact CD1-CD2 3.43Å; I44-L266 VanDerWaalsContact CD1-CD2 3.43Å; I44-L266 HydrophobicContact CD1-CG 4.28Å; I44-L266 HydrophobicContact CG1-CD2 3.97Å; V70-L266 HydrophobicContact CB-CD2 4.37Å; D262-L266 WeakPolarHBondContact O-CD1 3.46Å; D262-L266 WeakPolarHBondContact O-CG 3.48Å; D262-L266 PolarHBondContact O-N 3.36Å; C263-L266 PolarHBondContact O-N 3.45Å; L266-V269 PolarHBondContact O-N 3.02Å; L266-T270 VanDerWaalsContact O-CG2 3.28Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 3.08Å; L266-T270 PolarHBondContact O-OG1 3.25Å
267Y91.6Very high90.4Very high20 Ų2017.2 Ų17.28%0.0788%0.082CC..Hα-helixtrans-58.9-48175174.5-115.9000112.8C263 F264 H265 T270 R271 L287 P288 V290C263-Y267 WeakPolarHBondContact O-CB 3.47Å; C263-Y267 PolarHBondContact O-N 3.12Å; F264-Y267 WeakPolarHBondContact O-CB 3.48Å; F264-Y267 PolarHBondContact O-N 3.22Å; H265-Y267 VanDerWaalsContact C-N 3.27Å; H265-Y267 PolarHBondContact O-N 3.35Å; Y267-T270 PolarHBondContact O-OG1 2.94Å; Y267-R271 HydrophobicContact CD2-CG 4.05Å; Y267-R271 HydrophobicContact CE2-CG 3.81Å; Y267-R271 WeakPolarHBondContact O-CB 3.34Å; Y267-R271 WeakPolarHBondContact O-CG 3.39Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 VanDerWaalsContact O-N 3.11Å; Y267-L287 HydrophobicContact CD1-CD1 4.14Å; Y267-L287 HydrophobicContact CE1-CB 3.91Å; Y267-L287 HydrophobicContact CE1-CD1 3.79Å; Y267-L287 HydrophobicContact CE1-CG 4.3Å; Y267-P288 PolarHBondContact OH-O 2.87Å; Y267-V290 HydrophobicContact CD2-CB 4.35Å; Y267-V290 HydrophobicContact CD2-CG2 3.56Å; Y267-V290 HydrophobicContact CE2-CB 4.23Å; Y267-V290 HydrophobicContact CE2-CG2 3.74Å; Y267-V290 HydrophobicContact CG-CG2 3.99Å
268C91.8Very high90.3Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-64.3-44.9178.9-65.80000112.5F264 H265 R271 L272 L287 L307F264-C268 VanDerWaalsContact CE1-SG 3.57Å; F264-C268 WeakPolarHBondContact CZ-SG 3.35Å; F264-C268 PolarHBondContact O-N 3.37Å; F264-C268 PolarHBondContact O-SG 3.31Å; H265-C268 PolarHBondContact O-N 2.91Å; C268-R271 PolarHBondContact O-N 3.49Å; C268-L272 WeakPolarHBondContact O-CG 3.35Å; C268-L272 PolarHBondContact O-N 2.89Å; C268-L287 HydrophobicContact CB-CD1 4.28Å; C268-L307 HydrophobicContact CB-CD1 3.63Å; C268-L307 HydrophobicContact CB-CD2 3.59Å; C268-L307 HydrophobicContact CB-CG 4.24Å
269V89.8Confident90.1Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-69.6-38.4-177.1178.20000111.5V70 H265 L266 L272 N273 Q311V70-V269 HydrophobicContact CB-CG1 4.35Å; V70-V269 HydrophobicContact CG1-CB 4.11Å; V70-V269 HydrophobicContact CG1-CG1 3.93Å; V70-V269 HydrophobicContact CG1-CG2 4.17Å; V70-V269 HydrophobicContact CG2-CB 4.01Å; V70-V269 HydrophobicContact CG2-CG1 3.57Å; H265-V269 WeakPolarHBondContact O-CG2 3.38Å; H265-V269 PolarHBondContact O-N 3.49Å; L266-V269 PolarHBondContact O-N 3.02Å; V269-L272 PolarHBondContact O-N 2.82Å; V269-N273 PolarHBondContact O-N 2.88Å; V269-N273 PolarHBondContact O-OD1 3.22Å; V269-Q311 HydrophobicContact CG2-CG 4.07Å
270T86.9Confident89.8Confident8 Ų827.2 Ų27.25%0.04913%0.134CC..Hα-helixtrans-62.7-45173.953.10000111.1I44 H68 L266 Y267 L272 N273 D274I44-T270 HydrophobicContact CB-CG2 4.2Å; I44-T270 HydrophobicContact CD1-CG2 3.38Å; I44-T270 HydrophobicContact CG1-CG2 4.42Å; I44-T270 HydrophobicContact CG2-CG2 4Å; H68-T270 HydrophobicContact CB-CG2 3.99Å; L266-T270 VanDerWaalsContact O-CG2 3.28Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 3.08Å; L266-T270 PolarHBondContact O-OG1 3.25Å; Y267-T270 PolarHBondContact O-OG1 2.94Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.47Å; T270-N273 PolarHBondContact O-N 3.06Å; T270-N273 VanDerWaalsContact O-N 3.15Å; T270-D274 WeakPolarHBondContact O-CB 3.42Å; T270-D274 PolarHBondContact O-N 3.41Å
271R89.4Confident89.5Confident37 Ų3732.4 Ų32.414%0.1417%0.168CC..Hα-helixtrans-67.4-29.1177.2-61.1-61.1173.6-166.1-2113.7Y267 C268 R275 Q276 F277 L287 Y391Y267-R271 HydrophobicContact CD2-CG 4.05Å; Y267-R271 HydrophobicContact CE2-CG 3.81Å; Y267-R271 WeakPolarHBondContact O-CB 3.34Å; Y267-R271 WeakPolarHBondContact O-CG 3.39Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 VanDerWaalsContact O-N 3.11Å; C268-R271 PolarHBondContact O-N 3.49Å; R271-R275 WeakPolarHBondContact O-CA 3.21Å; R271-R275 PolarHBondContact O-N 3.46Å; R271-Q276 PolarHBondContact O-N 3.49Å; R271-F277 HydrophobicContact CB-CD2 4.13Å; R271-F277 HydrophobicContact CB-CE2 3.92Å; R271-L287 HydrophobicContact CB-CD1 4.09Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.32Å; R271-L287 HydrophobicContact CG-CD2 3.89Å; R271-Y391 VanDerWaalsContact NH2-CB 3.34Å
272L87.4Confident89.3Confident6 Ų640.3 Ų40.33%0.03120%0.204CC..Hα-helixtrans-66-45.9170.5-79173.9000110.5C268 V269 T270 R275 F277 Y315 Y318C268-L272 WeakPolarHBondContact O-CG 3.35Å; C268-L272 PolarHBondContact O-N 2.89Å; V269-L272 PolarHBondContact O-N 2.82Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.47Å; L272-R275 PolarHBondContact O-N 3.24Å; L272-F277 HydrophobicContact CB-CE2 4.24Å; L272-F277 HydrophobicContact CD2-CD2 3.98Å; L272-F277 HydrophobicContact CD2-CE2 3.43Å; L272-F277 VanDerWaalsContact CD2-CE2 3.43Å; L272-F277 HydrophobicContact CD2-CZ 3.73Å; L272-F277 HydrophobicContact CG-CD2 4.38Å; L272-F277 HydrophobicContact CG-CE2 3.48Å; L272-F277 VanDerWaalsContact CG-CE2 3.48Å; L272-F277 HydrophobicContact CG-CZ 3.85Å; L272-Y315 HydrophobicContact CD2-CD2 4.49Å; L272-Y318 HydrophobicContact CD2-CD2 3.84Å; L272-Y318 HydrophobicContact CD2-CE2 4.38Å
273N85.3Confident89.1Confident1 Ų141.4 Ų41.41%0.00521%0.21CC..Hα-helixtrans-66.9-39.3178.5-63.7-3.4000111.4R6 S10 V269 T270 R275 R314R6-N273 HydrophobicContact CB-CB 4.37Å; S10-N273 VanDerWaalsContact CA-O 3.29Å; S10-N273 WeakPolarHBondContact CA-O 3.48Å; V269-N273 PolarHBondContact O-N 2.88Å; V269-N273 PolarHBondContact O-OD1 3.22Å; T270-N273 PolarHBondContact O-N 3.06Å; T270-N273 VanDerWaalsContact O-N 3.15Å; N273-R275 PolarHBondContact O-N 3.04Å; N273-R314 PolarHBondContact OD1-NH1 3.18Å; N273-R314 PolarHBondContact OD1-NH2 3.47Å
274D85.1Confident89.1Confident40 Ų4041.9 Ų41.921%0.21422%0.216CC..THydrogen-bonded Turntrans-77.4-8.8177.8-71.7-30.3000114R6 H68 T270 Q276R6-D274 IonicContact CZ-OD1 2.66Å; R6-D274 IonicContact NH1-OD1 3.12Å; R6-D274 PolarHBondContact NH1-OD1 3.49Å; H68-D274 VanDerWaalsContact CE1-CG 3.42Å; H68-D274 IonicContact CE1-OD1 2.74Å; H68-D274 PolarHBondContact CE1-OD1 2.74Å; H68-D274 IonicContact CE1-OD2 3.49Å; H68-D274 IonicContact NE2-OD1 3.57Å; H68-D274 PolarHBondContact NE2-OD1 3.13Å; H68-D274 IonicContact NE2-OD2 2.82Å; T270-D274 WeakPolarHBondContact O-CB 3.42Å; T270-D274 PolarHBondContact O-N 3.41Å; D274-Q276 VanDerWaalsContact C-N 3.31Å; D274-Q276 HydrophobicContact CB-CB 4.35Å; D274-Q276 HydrophobicContact CB-CG 3.93Å; D274-Q276 PolarHBondContact O-N 3.05Å
275R85.6Confident89Confident46 Ų4643.7 Ų43.717%0.17422%0.224CC..THydrogen-bonded Turntrans53.647.3-172.8-50.3-171.970.680.51.5112.8R271 L272 N273 Y318 E321 E322 L331R271-R275 WeakPolarHBondContact O-CA 3.21Å; R271-R275 PolarHBondContact O-N 3.46Å; L272-R275 PolarHBondContact O-N 3.24Å; N273-R275 PolarHBondContact O-N 3.04Å; R275-Y318 WeakPolarHBondContact CA-OH 3.34Å; R275-Y318 HydrophobicContact CB-CE2 4.34Å; R275-Y318 WeakPolarHBondContact CB-OH 3.4Å; R275-Y318 PolarHBondContact O-OH 3.43Å; R275-E321 IonicContact CZ-OE2 2.75Å; R275-E321 IonicContact NH1-OE2 3.68Å; R275-E321 PolarHBondContact NH1-OE2 2.9Å; R275-E321 VanDerWaalsContact NH2-CB 3.28Å; R275-E321 IonicContact NH2-OE2 3.62Å; R275-E321 PolarHBondContact NH2-OE2 3.34Å; R275-E322 IonicContact CZ-OE1 3.83Å; R275-E322 IonicContact NE-OE1 2.98Å; R275-E322 PolarHBondContact NE-OE1 3.09Å; R275-E322 IonicContact NH2-OE1 2.68Å; R275-E322 PolarHBondContact NH2-OE1 3.26Å; R275-L331 VanDerWaalsContact CZ-CD1 3.47Å
276Q87.8Confident89.1Confident73 Ų7342.9 Ų42.934%0.34122%0.22SC..  trans-112.730.7-178.2-72.4-177.3-1400112.8R271 D274 Y318R271-Q276 PolarHBondContact O-N 3.49Å; D274-Q276 VanDerWaalsContact C-N 3.31Å; D274-Q276 HydrophobicContact CB-CB 4.35Å; D274-Q276 HydrophobicContact CB-CG 3.93Å; D274-Q276 PolarHBondContact O-N 3.05Å; Q276-Y318 PolarHBondContact N-OH 3.31Å
277F90.6Very high89.3Confident14 Ų1442.2 Ų42.26%0.06122%0.216CC..PPolyproline II helixtrans-73.1139.1167.2-86.7-114.1000110R271 L272 Y285 L287 F304 Y315 Y318R271-F277 HydrophobicContact CB-CD2 4.13Å; R271-F277 HydrophobicContact CB-CE2 3.92Å; L272-F277 HydrophobicContact CB-CE2 4.24Å; L272-F277 HydrophobicContact CD2-CD2 3.98Å; L272-F277 HydrophobicContact CD2-CE2 3.43Å; L272-F277 VanDerWaalsContact CD2-CE2 3.43Å; L272-F277 HydrophobicContact CD2-CZ 3.73Å; L272-F277 HydrophobicContact CG-CD2 4.38Å; L272-F277 HydrophobicContact CG-CE2 3.48Å; L272-F277 VanDerWaalsContact CG-CE2 3.48Å; L272-F277 HydrophobicContact CG-CZ 3.85Å; F277-Y285 HydrophobicContact CB-CD1 4.16Å; F277-L287 HydrophobicContact CD1-CD2 4.34Å; F277-L287 HydrophobicContact CD1-CG 3.94Å; F277-L287 HydrophobicContact CD2-CD1 4.47Å; F277-L287 HydrophobicContact CD2-CD2 4.06Å; F277-L287 HydrophobicContact CD2-CG 4.27Å; F277-L287 HydrophobicContact CE1-CD1 3.92Å; F277-L287 HydrophobicContact CE1-CD2 4.48Å; F277-L287 HydrophobicContact CE1-CG 3.71Å; F277-L287 HydrophobicContact CE2-CD1 3.77Å; F277-L287 HydrophobicContact CE2-CD2 4.16Å; F277-L287 HydrophobicContact CE2-CG 4.02Å; F277-L287 HydrophobicContact CG-CD2 4.13Å; F277-L287 HydrophobicContact CG-CG 4.22Å; F277-L287 HydrophobicContact CZ-CD1 3.48Å; F277-L287 VanDerWaalsContact CZ-CD1 3.48Å; F277-L287 HydrophobicContact CZ-CD2 4.4Å; F277-L287 HydrophobicContact CZ-CG 3.76Å; F277-F304 HydrophobicContact CE1-CE1 4.17Å; F277-F304 HydrophobicContact CE1-CZ 4.18Å; F277-Y315 AromaticContact CD1-CD2 3.98Å; F277-Y315 HydrophobicContact CD1-CD2 3.98Å; F277-Y315 AromaticContact CD1-CE2 3.82Å; F277-Y315 HydrophobicContact CD1-CE2 3.82Å; F277-Y315 AromaticContact CE1-CD2 3.45Å; F277-Y315 HydrophobicContact CE1-CD2 3.45Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.45Å; 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 4.32Å; F277-Y318 HydrophobicContact CB-CE1 3.74Å; F277-Y318 HydrophobicContact CB-CE2 4.31Å; F277-Y318 HydrophobicContact CD2-CE2 4.22Å; F277-Y318 HydrophobicContact CG-CE2 4.48Å; F277-Y318 PolarHBondContact N-OH 2.87Å
278V90.4Very high89.5Confident63 Ų6342.5 Ų42.538%0.38222%0.221SC..EExtended strand (participates in β ladder)trans-90.4125.3-179.7-178.30000108.3Y285 S286 P288 L297V278-Y285 WeakPolarHBondContact O-CA 3.47Å; V278-S286 PolarHBondContact N-O 3.36Å; V278-S286 PolarHBondContact O-N 3.41Å; V278-P288 HydrophobicContact CG2-CG 4.46Å; V278-L297 HydrophobicContact CB-CD2 3.94Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å
279H90.4Very high89.6Confident104 Ų10442.6 Ų42.648%0.48122%0.221SC..EExtended strand (participates in β ladder)trans-83.5123.3173.5-179.1-104.9000110.5Y285H279-Y285 HydrophobicContact CB-CD1 3.95Å; H279-Y285 HydrophobicContact CB-CE1 3.64Å; H279-Y285 AromaticContact CD2-CE2 3.71Å; H279-Y285 AromaticContact CD2-CZ 3.72Å
280D89.9Confident89.6Confident52 Ų5242.9 Ų42.928%0.27822%0.223SC..EExtended strand (participates in β ladder)trans-107.2129.1166.4178-76.1000108.9Q282 L283 G284 L297D280-Q282 PolarHBondContact O-N 2.88Å; D280-Q282 VanDerWaalsContact O-N 3.16Å; D280-Q282 PolarHBondContact OD1-N 3.42Å; D280-L283 HydrophobicContact CB-CB 3.95Å; D280-L283 PolarHBondContact O-N 3.08Å; D280-L283 WeakPolarHBondContact OD1-CB 3.48Å; D280-L283 PolarHBondContact OD1-N 3.23Å; D280-G284 PolarHBondContact N-O 3.18Å; D280-G284 WeakPolarHBondContact O-CA 3.35Å; D280-G284 PolarHBondContact O-N 2.92Å; D280-L297 HydrophobicContact CB-CD1 4.07Å
281P87.3Confident89.8Confident112 Ų11244.4 Ų44.473%0.72724%0.236SC*.THydrogen-bonded Turntrans-61-25.3-174.9-25.834.7000115.8
282Q87.8Confident89.7Confident194 Ų19445.5 Ų45.591%0.90726%0.259SS*.THydrogen-bonded Turntrans-97.7-30.4-178.4-64.9-175.9-6.500111.8D280D280-Q282 PolarHBondContact O-N 2.88Å; D280-Q282 VanDerWaalsContact O-N 3.16Å; D280-Q282 PolarHBondContact OD1-N 3.42Å
283L87.6Confident89.9Confident56 Ų5646.4 Ų46.429%0.29327%0.266SS..THydrogen-bonded Turntrans-97.6-33.3-175.2-168.674.2000113.6D280 I298 K299 L301D280-L283 HydrophobicContact CB-CB 3.95Å; D280-L283 PolarHBondContact O-N 3.08Å; D280-L283 WeakPolarHBondContact OD1-CB 3.48Å; D280-L283 PolarHBondContact OD1-N 3.23Å; L283-I298 WeakPolarHBondContact CD2-O 3.24Å; L283-K299 HydrophobicContact CD1-CB 4.5Å; L283-K299 WeakPolarHBondContact CD1-O 3.36Å; L283-L301 HydrophobicContact CD2-CD2 4.03Å; L283-L301 HydrophobicContact CG-CD2 4.09Å; L283-L301 HydrophobicContact CG-CG 4.47Å
284G89.5Confident90.1Very high22 Ų2251.6 Ų51.623%0.22730%0.3CS..EExtended strand (participates in β ladder)trans96.3-152-167.900000112.5D280D280-G284 PolarHBondContact N-O 3.18Å; D280-G284 WeakPolarHBondContact O-CA 3.35Å; D280-G284 PolarHBondContact O-N 2.92Å
285Y92.3Very high90.4Very high38 Ų3857.5 Ų57.515%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-83.2125.9-177.4-69.4-85.7000112F277 V278 H279 Y315 Y318 G319 E322F277-Y285 HydrophobicContact CB-CD1 4.16Å; V278-Y285 WeakPolarHBondContact O-CA 3.47Å; H279-Y285 HydrophobicContact CB-CD1 3.95Å; H279-Y285 HydrophobicContact CB-CE1 3.64Å; H279-Y285 AromaticContact CD2-CE2 3.71Å; H279-Y285 AromaticContact CD2-CZ 3.72Å; Y285-Y315 WeakPolarHBondContact O-CE2 3.37Å; Y285-Y315 PolarHBondContact O-OH 2.9Å; Y285-Y318 AromaticContact CD1-CD1 3.66Å; Y285-Y318 HydrophobicContact CD1-CD1 3.66Å; Y285-Y318 AromaticContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD2-CD1 4.18Å; Y285-Y318 AromaticContact CE1-CD1 3.97Å; Y285-Y318 HydrophobicContact CE1-CD1 3.97Å; Y285-Y318 AromaticContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE2-CD1 4.48Å; Y285-Y318 AromaticContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CE1 4.13Å; Y285-G319 VanDerWaalsContact CE2-CA 3.5Å; Y285-E322 HydrophobicContact CE1-CB 4.5Å; Y285-E322 HydrophobicContact CE1-CG 4.01Å; Y285-E322 VanDerWaalsContact OH-CB 3.29Å; Y285-E322 WeakPolarHBondContact OH-CB 3.48Å
286S94.7Very high90.8Very high0 Ų055.4 Ų55.40%032%0.323CS..EExtended strand (participates in β ladder)trans-145.2179.5178.2-167.20000111.6V278 I298V278-S286 PolarHBondContact N-O 3.36Å; V278-S286 PolarHBondContact O-N 3.41Å; S286-I298 PolarHBondContact OG-N 3.16Å; S286-I298 PolarHBondContact OG-O 2.78Å
287L94.5Very high91.1Very high1 Ų153.7 Ų53.71%0.00532%0.316CS..  trans-121.7139.2176.3-73.8173.5000111Y267 C268 R271 F277 I298 F304Y267-L287 HydrophobicContact CD1-CD1 4.14Å; Y267-L287 HydrophobicContact CE1-CB 3.91Å; Y267-L287 HydrophobicContact CE1-CD1 3.79Å; Y267-L287 HydrophobicContact CE1-CG 4.3Å; C268-L287 HydrophobicContact CB-CD1 4.28Å; R271-L287 HydrophobicContact CB-CD1 4.09Å; R271-L287 HydrophobicContact CB-CD2 3.78Å; R271-L287 HydrophobicContact CG-CD1 4.32Å; R271-L287 HydrophobicContact CG-CD2 3.89Å; F277-L287 HydrophobicContact CD1-CD2 4.34Å; F277-L287 HydrophobicContact CD1-CG 3.94Å; F277-L287 HydrophobicContact CD2-CD1 4.47Å; F277-L287 HydrophobicContact CD2-CD2 4.06Å; F277-L287 HydrophobicContact CD2-CG 4.27Å; F277-L287 HydrophobicContact CE1-CD1 3.92Å; F277-L287 HydrophobicContact CE1-CD2 4.48Å; F277-L287 HydrophobicContact CE1-CG 3.71Å; F277-L287 HydrophobicContact CE2-CD1 3.77Å; F277-L287 HydrophobicContact CE2-CD2 4.16Å; F277-L287 HydrophobicContact CE2-CG 4.02Å; F277-L287 HydrophobicContact CG-CD2 4.13Å; F277-L287 HydrophobicContact CG-CG 4.22Å; F277-L287 HydrophobicContact CZ-CD1 3.48Å; F277-L287 VanDerWaalsContact CZ-CD1 3.48Å; F277-L287 HydrophobicContact CZ-CD2 4.4Å; F277-L287 HydrophobicContact CZ-CG 3.76Å; L287-I298 PolarHBondContact O-N 2.92Å; L287-F304 HydrophobicContact CB-CE1 4.43Å; L287-F304 HydrophobicContact CB-CZ 4.28Å; L287-F304 HydrophobicContact CD1-CE1 4.23Å
288P94.6Very high91.3Very high26 Ų2653.1 Ų53.117%0.16931%0.314CS..  trans-79.2-178.5173.734.3-35.3000111.1F251 Y267 V278 V290 L297F251-P288 WeakPolarHBondContact CE1-O 3.14Å; Y267-P288 PolarHBondContact OH-O 2.87Å; V278-P288 HydrophobicContact CG2-CG 4.46Å; P288-V290 PolarHBondContact O-N 3.17Å; P288-L297 HydrophobicContact CB-CD2 4.14Å
289C94.1Very high91.4Very high1 Ų156.1 Ų56.11%0.00732%0.322CS..  trans-51.5137.1164.1178.50000110.3F251 C253 H257 A291 G292 C293 S296F251-C289 HydrophobicContact CB-CB 4.13Å; F251-C289 HydrophobicContact CD1-CB 4.19Å; F251-C289 HydrophobicContact CD2-CB 4.29Å; F251-C289 HydrophobicContact CG-CB 3.97Å; C253-C289 HydrophobicContact CB-CB 4.26Å; H257-C289 PolarHBondContact ND1-SG 2.89Å; C289-A291 PolarHBondContact O-N 3.15Å; C289-G292 PolarHBondContact O-N 3.38Å; C289-C293 HydrophobicContact CB-CB 3.96Å; C289-C293 VanDerWaalsContact SG-SG 3.68Å; C289-S296 WeakPolarHBondContact CB-OG 3.29Å; C289-S296 PolarHBondContact N-O 2.84Å; C289-S296 PolarHBondContact N-OG 3.19Å
290V91.3Very high91.4Very high7 Ų755.5 Ų55.54%0.04232%0.319CS..THydrogen-bonded Turntrans-58.2-24.5-178.270.60000113.4I239 F251 I259 Y267 P288 G292 Y391 V393I239-V290 HydrophobicContact CD1-CG1 4.18Å; I239-V290 HydrophobicContact CG1-CG1 4.4Å; I239-V290 HydrophobicContact CG2-CG1 3.5Å; I239-V290 VanDerWaalsContact CG2-CG1 3.5Å; F251-V290 HydrophobicContact CE2-CB 4.44Å; F251-V290 HydrophobicContact CE2-CG1 4.27Å; I259-V290 HydrophobicContact CD1-CB 4.37Å; I259-V290 HydrophobicContact CD1-CG1 4.2Å; Y267-V290 HydrophobicContact CD2-CB 4.35Å; Y267-V290 HydrophobicContact CD2-CG2 3.56Å; Y267-V290 HydrophobicContact CE2-CB 4.23Å; Y267-V290 HydrophobicContact CE2-CG2 3.74Å; Y267-V290 HydrophobicContact CG-CG2 3.99Å; P288-V290 PolarHBondContact O-N 3.17Å; V290-G292 VanDerWaalsContact C-N 3.29Å; V290-G292 PolarHBondContact O-N 3.06Å; V290-Y391 HydrophobicContact CB-CE1 4.5Å; V290-Y391 HydrophobicContact CG2-CD1 4.24Å; V290-Y391 HydrophobicContact CG2-CE1 3.3Å; V290-V393 HydrophobicContact CG1-CG2 4.31Å
291A89.3Confident91.4Very high40 Ų4055 Ų5533%0.33132%0.316SS..THydrogen-bonded Turntrans-81.31.9173.700000114.5I239 C289 V393I239-A291 HydrophobicContact CD1-CB 3.97Å; C289-A291 PolarHBondContact O-N 3.15Å; A291-V393 HydrophobicContact CB-CB 4.46Å; A291-V393 HydrophobicContact CB-CG2 4.19Å
292G88.5Confident91.6Very high60 Ų6053.8 Ų53.862%0.61930%0.301SS*.  trans73.924.718000000114.6C289 V290C289-G292 PolarHBondContact O-N 3.38Å; V290-G292 VanDerWaalsContact C-N 3.29Å; V290-G292 PolarHBondContact O-N 3.06Å
293C90.6Very high91.9Very high25 Ų2544.5 Ų44.517%0.16926%0.257CS..  trans-63.6142.4179.9-56.30000111.7C253 H257 C289 S296C253-C293 HydrophobicContact CB-CB 3.59Å; H257-C293 VanDerWaalsContact CE1-SG 3.59Å; H257-C293 PolarHBondContact ND1-SG 3.08Å; C289-C293 HydrophobicContact CB-CB 3.96Å; C289-C293 VanDerWaalsContact SG-SG 3.68Å; C293-S296 PolarHBondContact O-OG 3.14Å
294P90.5Very high92.2Very high110 Ų11041.9 Ų41.971%0.71424%0.243SC*.THydrogen-bonded Turntrans-65.6152.9176.229.1-35.2000111.4S296P294-S296 PolarHBondContact O-N 2.74Å; P294-S296 VanDerWaalsContact O-N 3.13Å
295N90.3Very high92.3Very high164 Ų16444.5 Ų44.588%0.87725%0.246SC*.THydrogen-bonded Turntrans51.535.4175.3-61.1-26.7000114.8
296S94.1Very high92.2Very high2 Ų244.2 Ų44.21%0.01425%0.247CC..  trans-115.317.8-173.968.20000114.1C289 C293 P294C289-S296 WeakPolarHBondContact CB-OG 3.29Å; C289-S296 PolarHBondContact N-O 2.84Å; C289-S296 PolarHBondContact N-OG 3.19Å; C293-S296 PolarHBondContact O-OG 3.14Å; P294-S296 PolarHBondContact O-N 2.74Å; P294-S296 VanDerWaalsContact O-N 3.13Å
297L94.6Very high92Very high36 Ų3644.7 Ų44.719%0.18825%0.25CC..  trans-60.4136.8175.7-69.2171.8000110.5V278 D280 P288 K299V278-L297 HydrophobicContact CB-CD2 3.94Å; V278-L297 HydrophobicContact CG1-CD2 4.18Å; D280-L297 HydrophobicContact CB-CD1 4.07Å; P288-L297 HydrophobicContact CB-CD2 4.14Å; L297-K299 PolarHBondContact O-N 3Å; L297-K299 VanDerWaalsContact O-N 3.14Å
298I94.9Very high91.7Very high3 Ų345.7 Ų45.72%0.01526%0.261CS..  trans-69110.6174.1-64.4169.2000108.4L228 F251 F264 L283 S286 L287 H303 F304L228-I298 HydrophobicContact CD1-CB 4.48Å; L228-I298 HydrophobicContact CD1-CG1 4.19Å; L228-I298 HydrophobicContact CD1-CG2 3.85Å; F251-I298 HydrophobicContact CD1-CG1 4.44Å; F251-I298 HydrophobicContact CE1-CD1 4.08Å; F251-I298 HydrophobicContact CE1-CG1 4.32Å; F264-I298 HydrophobicContact CE2-CD1 3.7Å; F264-I298 HydrophobicContact CZ-CD1 3.78Å; L283-I298 WeakPolarHBondContact CD2-O 3.24Å; S286-I298 PolarHBondContact OG-N 3.16Å; S286-I298 PolarHBondContact OG-O 2.78Å; L287-I298 PolarHBondContact O-N 2.92Å; I298-H303 HydrophobicContact CG2-CB 4.17Å; I298-F304 HydrophobicContact CB-CZ 4.4Å; I298-F304 HydrophobicContact CD1-CE1 4.25Å; I298-F304 HydrophobicContact CD1-CZ 4.08Å
299K91.9Very high91.3Very high126 Ų12649 Ų4955%0.54827%0.274SS..SBendtrans-72.8-50.7-179.5-62.3-179.8-178.3178.60111.8L283 L297 L301L283-K299 HydrophobicContact CD1-CB 4.5Å; L283-K299 WeakPolarHBondContact CD1-O 3.36Å; L297-K299 PolarHBondContact O-N 3Å; L297-K299 VanDerWaalsContact O-N 3.14Å; K299-L301 PolarHBondContact O-N 2.8Å
300E90.1Very high90.9Very high91 Ų9153.7 Ų53.743%0.42530%0.296SS..  trans-76.693.7175.9-8461.2-127.200111.7H227 H302 H303H227-E300 IonicContact CD2-OE2 3.59Å; H227-E300 IonicContact CE1-OE2 3.46Å; H227-E300 PolarHBondContact CE1-OE2 3.25Å; H227-E300 IonicContact NE2-OE2 2.71Å; H227-E300 PolarHBondContact NE2-OE2 3.29Å; E300-H302 PolarHBondContact O-N 3.3Å; E300-H303 WeakPolarHBondContact CB-ND1 3.44Å; E300-H303 PolarHBondContact O-N 2.93Å; E300-H303 VanDerWaalsContact O-N 3.12Å; E300-H303 PolarHBondContact O-ND1 3.48Å
301L91.5Very high90.8Very high41 Ų4153.7 Ų53.722%0.21530%0.295CS..G310 helixtrans-59.6-16.5-178.9-54.4-177.7000114.1L283 K299 H303 F304 Y315L283-L301 HydrophobicContact CD2-CD2 4.03Å; L283-L301 HydrophobicContact CG-CD2 4.09Å; L283-L301 HydrophobicContact CG-CG 4.47Å; K299-L301 PolarHBondContact O-N 2.8Å; L301-H303 PolarHBondContact O-N 3.33Å; L301-H303 VanDerWaalsContact O-N 3.15Å; L301-F304 HydrophobicContact CB-CD2 4.42Å; L301-F304 HydrophobicContact CD2-CE2 4.05Å; L301-F304 WeakPolarHBondContact O-CD2 3.49Å; L301-F304 PolarHBondContact O-N 2.8Å; L301-F304 VanDerWaalsContact O-N 3.08Å; L301-Y315 WeakPolarHBondContact CD2-OH 3.48Å
302H90.8Very high90.9Very high86 Ų8652.6 Ų52.640%0.39828%0.283SS..G310 helixtrans-65-16.4177.4-62.915.6000112.4V224 E300 F304 R305V224-H302 HydrophobicContact CG1-CB 3.91Å; E300-H302 PolarHBondContact O-N 3.3Å; H302-F304 PolarHBondContact O-N 3.06Å; H302-R305 VanDerWaalsContact O-CB 3.3Å; H302-R305 WeakPolarHBondContact O-CB 3.39Å; H302-R305 WeakPolarHBondContact O-CG 3.19Å; H302-R305 PolarHBondContact O-N 3.2Å; H302-R305 VanDerWaalsContact O-N 3.11Å
303H93.5Very high90.9Very high0 Ų053.5 Ų53.50%027%0.273CS..G310 helixtrans-60-30.6170.7-70.487.6000112.6L226 H227 L228 I298 E300 L301 R305 I306L226-H303 WeakPolarHBondContact CA-NE2 3.48Å; H227-H303 AromaticContact CD2-CE1 3.8Å; H227-H303 PolarHBondContact N-NE2 3.27Å; H227-H303 AromaticContact NE2-CE1 3.8Å; L228-H303 WeakPolarHBondContact CB-NE2 3.32Å; L228-H303 WeakPolarHBondContact CG-NE2 3.35Å; L228-H303 PolarHBondContact N-NE2 3.26Å; I298-H303 HydrophobicContact CG2-CB 4.17Å; E300-H303 WeakPolarHBondContact CB-ND1 3.44Å; E300-H303 PolarHBondContact O-N 2.93Å; E300-H303 VanDerWaalsContact O-N 3.12Å; E300-H303 PolarHBondContact O-ND1 3.48Å; L301-H303 PolarHBondContact O-N 3.33Å; L301-H303 VanDerWaalsContact O-N 3.15Å; H303-R305 PolarHBondContact O-N 3.47Å; H303-R305 VanDerWaalsContact O-N 3.14Å; H303-I306 WeakPolarHBondContact O-CD1 3.43Å; H303-I306 WeakPolarHBondContact O-CG1 3.42Å; H303-I306 WeakPolarHBondContact O-CG2 3.3Å; H303-I306 PolarHBondContact O-N 3.46Å
304F94Very high90.8Very high0 Ų054.2 Ų54.20%027%0.272CS..G310 helixtrans-67.7-12.3177.1-62.1-63.3000113.4F264 F277 L287 I298 L301 H302 I306 L307 Y312 Y315F264-F304 HydrophobicContact CZ-CD1 4.32Å; F264-F304 HydrophobicContact CZ-CE1 4.14Å; F277-F304 HydrophobicContact CE1-CE1 4.17Å; F277-F304 HydrophobicContact CE1-CZ 4.18Å; L287-F304 HydrophobicContact CB-CE1 4.43Å; L287-F304 HydrophobicContact CB-CZ 4.28Å; L287-F304 HydrophobicContact CD1-CE1 4.23Å; I298-F304 HydrophobicContact CB-CZ 4.4Å; I298-F304 HydrophobicContact CD1-CE1 4.25Å; I298-F304 HydrophobicContact CD1-CZ 4.08Å; L301-F304 HydrophobicContact CB-CD2 4.42Å; L301-F304 HydrophobicContact CD2-CE2 4.05Å; L301-F304 WeakPolarHBondContact O-CD2 3.49Å; L301-F304 PolarHBondContact O-N 2.8Å; L301-F304 VanDerWaalsContact O-N 3.08Å; H302-F304 PolarHBondContact O-N 3.06Å; F304-I306 PolarHBondContact O-N 2.71Å; F304-L307 HydrophobicContact CB-CD1 4.33Å; F304-L307 HydrophobicContact CD1-CD1 4.35Å; F304-L307 WeakPolarHBondContact O-CB 3.14Å; F304-L307 WeakPolarHBondContact O-CG 3.4Å; F304-L307 PolarHBondContact O-N 2.81Å; F304-Y312 VanDerWaalsContact C-CD2 3.43Å; F304-Y312 HydrophobicContact CB-CD2 3.97Å; F304-Y312 HydrophobicContact CB-CE2 4.1Å; F304-Y312 WeakPolarHBondContact O-CD2 3.37Å; F304-Y315 HydrophobicContact CB-CD1 4.02Å; F304-Y315 HydrophobicContact CB-CE1 4.11Å; F304-Y315 HydrophobicContact CB-CG 4.45Å; F304-Y315 HydrophobicContact CD2-CD1 4.43Å; F304-Y315 AromaticContact CD2-CE1 3.81Å; F304-Y315 HydrophobicContact CD2-CE1 3.81Å; F304-Y315 HydrophobicContact CD2-CE2 4.03Å; F304-Y315 AromaticContact CD2-CZ 3.58Å; F304-Y315 HydrophobicContact CE2-CE2 4.26Å; F304-Y315 HydrophobicContact CG-CD1 4.44Å; F304-Y315 HydrophobicContact CG-CE1 4.25Å
305R91.8Very high90.8Very high77 Ų7749.9 Ų49.929%0.29124%0.242SC..G310 helixtrans-64.1-22.9173.2-65.7-176.1179.6-83.42.1112.8Y149 H302 H303 L307 G308 Y312Y149-R305 HydrophobicContact CD1-CB 3.99Å; Y149-R305 HydrophobicContact CD2-CB 3.94Å; Y149-R305 HydrophobicContact CE1-CB 4.13Å; Y149-R305 HydrophobicContact CE2-CB 4.08Å; Y149-R305 WeakPolarHBondContact CE2-O 3.35Å; Y149-R305 HydrophobicContact CG-CB 3.89Å; H302-R305 VanDerWaalsContact O-CB 3.3Å; H302-R305 WeakPolarHBondContact O-CB 3.39Å; H302-R305 WeakPolarHBondContact O-CG 3.19Å; H302-R305 PolarHBondContact O-N 3.2Å; H302-R305 VanDerWaalsContact O-N 3.11Å; H303-R305 PolarHBondContact O-N 3.47Å; H303-R305 VanDerWaalsContact O-N 3.14Å; R305-L307 PolarHBondContact O-N 3.45Å; R305-L307 VanDerWaalsContact O-N 3.12Å; R305-G308 PolarHBondContact O-N 3.44Å; R305-Y312 HydrophobicContact CB-CD2 4.34Å; R305-Y312 HydrophobicContact CB-CE2 4.45Å; R305-Y312 HydrophobicContact CG-CD1 4.18Å; R305-Y312 HydrophobicContact CG-CD2 3.79Å; R305-Y312 HydrophobicContact CG-CE1 3.94Å; R305-Y312 HydrophobicContact CG-CE2 3.49Å; R305-Y312 VanDerWaalsContact CG-CE2 3.49Å; R305-Y312 HydrophobicContact CG-CG 4.1Å; R305-Y312 PolarHBondContact NH2-OH 3.37Å
306I90.9Very high90.7Very high33 Ų3347.3 Ų47.317%0.16923%0.225CC..G310 helixtrans-66.7-12.4178.375.6-167.7000113.3M157 L226 I229 L261 F264 H303 F304 G308M157-I306 HydrophobicContact CB-CG2 4.49Å; L226-I306 HydrophobicContact CD1-CG2 3.56Å; L226-I306 HydrophobicContact CD2-CG2 4.48Å; I229-I306 HydrophobicContact CD1-CD1 4.17Å; I229-I306 HydrophobicContact CD1-CG2 4.25Å; L261-I306 HydrophobicContact CD2-CD1 4.24Å; F264-I306 HydrophobicContact CD1-CD1 3.61Å; F264-I306 HydrophobicContact CD1-CG1 4.16Å; F264-I306 HydrophobicContact CE1-CD1 3.59Å; F264-I306 HydrophobicContact CE1-CG1 4.04Å; H303-I306 WeakPolarHBondContact O-CD1 3.43Å; H303-I306 WeakPolarHBondContact O-CG1 3.42Å; H303-I306 WeakPolarHBondContact O-CG2 3.3Å; H303-I306 PolarHBondContact O-N 3.46Å; F304-I306 PolarHBondContact O-N 2.71Å; I306-G308 PolarHBondContact O-N 2.88Å
307L89.3Confident90.4Very high9 Ų952 Ų525%0.04725%0.246CC..G310 helixtrans-70.1-12.5173-54.4175.8000112.6H265 C268 F304 R305 Q311H265-L307 HydrophobicContact CB-CD2 3.97Å; C268-L307 HydrophobicContact CB-CD1 3.63Å; C268-L307 HydrophobicContact CB-CD2 3.59Å; C268-L307 HydrophobicContact CB-CG 4.24Å; F304-L307 HydrophobicContact CB-CD1 4.33Å; F304-L307 HydrophobicContact CD1-CD1 4.35Å; F304-L307 WeakPolarHBondContact O-CB 3.14Å; F304-L307 WeakPolarHBondContact O-CG 3.4Å; F304-L307 PolarHBondContact O-N 2.81Å; R305-L307 PolarHBondContact O-N 3.45Å; R305-L307 VanDerWaalsContact O-N 3.12Å; L307-Q311 HydrophobicContact CB-CB 3.69Å
308G88.2Confident90Very high23 Ų2350.4 Ų50.424%0.23724%0.238CC..  trans89166.9-172.600000112.1R305 I306 E310 Y312R305-G308 PolarHBondContact O-N 3.44Å; I306-G308 PolarHBondContact O-N 2.88Å; G308-E310 PolarHBondContact O-N 3.19Å; G308-Y312 WeakPolarHBondContact O-CB 3.43Å; G308-Y312 PolarHBondContact O-N 3.45Å
309E87.3Confident89.4Confident95 Ų9551.6 Ų51.644%0.44425%0.251SS..Hα-helixtrans-62.5-44.2-171-65.9-177.8176.100112.7Q155 Q311 Y312 N313Q155-E309 PolarHBondContact NE2-OE1 3.4Å; E309-Q311 PolarHBondContact O-N 2.87Å; E309-Y312 PolarHBondContact O-N 3Å; E309-N313 VanDerWaalsContact O-CB 3.3Å; E309-N313 WeakPolarHBondContact O-CB 3.4Å; E309-N313 PolarHBondContact O-N 3.02Å; E309-N313 PolarHBondContact O-ND2 2.87Å; E309-N313 PolarHBondContact O-OD1 3.14Å
310E86.4Confident88.9Confident100 Ų10048.8 Ų48.847%0.46725%0.251SS..Hα-helixtrans-58.2-53.1-179.6-172.8-167.6173.800112N8 G308 N313 R314N8-E310 PolarHBondContact ND2-OE1 3.06Å; G308-E310 PolarHBondContact O-N 3.19Å; E310-N313 PolarHBondContact O-N 3.42Å; E310-R314 WeakPolarHBondContact O-CG 3.47Å; E310-R314 PolarHBondContact O-N 3.2Å
311Q89Confident88.7Confident6 Ų645.5 Ų45.53%0.02824%0.235CC..Hα-helixtrans-73.2-34.2-176.8-58.3-57.8-3500111.9N8 V269 L307 E309 R314 Y315N8-Q311 PolarHBondContact ND2-NE2 3.3Å; N8-Q311 PolarHBondContact OD1-NE2 2.8Å; V269-Q311 HydrophobicContact CG2-CG 4.07Å; L307-Q311 HydrophobicContact CB-CB 3.69Å; E309-Q311 PolarHBondContact O-N 2.87Å; Q311-R314 PolarHBondContact O-N 2.67Å; Q311-Y315 PolarHBondContact O-N 2.82Å
312Y91.2Very high88.4Confident18 Ų1845.2 Ų45.27%0.07123%0.233CC..Hα-helixtrans-67.1-38.2174.9-175.8-104.5000111.8F304 R305 G308 E309 R314 Y315 Q316F304-Y312 VanDerWaalsContact C-CD2 3.43Å; F304-Y312 HydrophobicContact CB-CD2 3.97Å; F304-Y312 HydrophobicContact CB-CE2 4.1Å; F304-Y312 WeakPolarHBondContact O-CD2 3.37Å; R305-Y312 HydrophobicContact CB-CD2 4.34Å; R305-Y312 HydrophobicContact CB-CE2 4.45Å; R305-Y312 HydrophobicContact CG-CD1 4.18Å; R305-Y312 HydrophobicContact CG-CD2 3.79Å; R305-Y312 HydrophobicContact CG-CE1 3.94Å; R305-Y312 HydrophobicContact CG-CE2 3.49Å; R305-Y312 VanDerWaalsContact CG-CE2 3.49Å; R305-Y312 HydrophobicContact CG-CG 4.1Å; R305-Y312 PolarHBondContact NH2-OH 3.37Å; G308-Y312 WeakPolarHBondContact O-CB 3.43Å; G308-Y312 PolarHBondContact O-N 3.45Å; E309-Y312 PolarHBondContact O-N 3Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 2.89Å; Y312-Y315 AromaticContact CD2-CD1 3.92Å; Y312-Y315 HydrophobicContact CD2-CD1 3.92Å; Y312-Y315 AromaticContact CE2-CD1 3.81Å; Y312-Y315 HydrophobicContact CE2-CD1 3.81Å; Y312-Y315 HydrophobicContact CE2-CE1 4.09Å; Y312-Y315 WeakPolarHBondContact O-CB 3.45Å; Y312-Y315 PolarHBondContact O-N 3.47Å; Y312-Q316 HydrophobicContact CD1-CG 4.1Å; Y312-Q316 HydrophobicContact CE1-CG 3.69Å; Y312-Q316 WeakPolarHBondContact O-CG 3.39Å; Y312-Q316 PolarHBondContact O-N 3.18Å
313N88.8Confident88Confident79 Ų7943.8 Ų43.842%0.42223%0.232SC..Hα-helixtrans-62.7-41.6175.3-70.6-17.5000111.4E309 E310 Y315 Q316 Q317E309-N313 VanDerWaalsContact O-CB 3.3Å; E309-N313 WeakPolarHBondContact O-CB 3.4Å; E309-N313 PolarHBondContact O-N 3.02Å; E309-N313 PolarHBondContact O-ND2 2.87Å; E309-N313 PolarHBondContact O-OD1 3.14Å; E310-N313 PolarHBondContact O-N 3.42Å; N313-Y315 VanDerWaalsContact C-N 3.34Å; N313-Y315 PolarHBondContact O-N 3.31Å; N313-Q316 PolarHBondContact O-N 3.42Å; N313-Q317 WeakPolarHBondContact O-CG 3.48Å; N313-Q317 PolarHBondContact O-N 2.8Å; N313-Q317 VanDerWaalsContact O-N 3.08Å
314R87.7Confident87.6Confident40 Ų4044.9 Ų44.915%0.15124%0.239CC..Hα-helixtrans-59-44.7172.2-67.9175.664.7-148.6-0.4111.7N8 N273 E310 Q311 Y312 Q316 Q317 Y318N8-R314 VanDerWaalsContact C-CZ 3.49Å; N8-R314 PolarHBondContact O-NE 3.07Å; N8-R314 PolarHBondContact O-NH2 3.47Å; N273-R314 PolarHBondContact OD1-NH1 3.18Å; N273-R314 PolarHBondContact OD1-NH2 3.47Å; E310-R314 WeakPolarHBondContact O-CG 3.47Å; E310-R314 PolarHBondContact O-N 3.2Å; Q311-R314 PolarHBondContact O-N 2.67Å; Y312-R314 VanDerWaalsContact C-N 3.34Å; Y312-R314 PolarHBondContact O-N 2.89Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.08Å; R314-Q317 PolarHBondContact O-N 3.33Å; R314-Y318 PolarHBondContact O-N 2.66Å; R314-Y318 VanDerWaalsContact O-N 3.13Å
315Y90.3Very high87.2Confident18 Ų1847.9 Ų47.97%0.07126%0.255CS..Hα-helixtrans-60.1-40.5174.5164.7-105.3000112.6L272 F277 Y285 L301 F304 Q311 Y312 N313 Q317 Y318L272-Y315 HydrophobicContact CD2-CD2 4.49Å; F277-Y315 AromaticContact CD1-CD2 3.98Å; F277-Y315 HydrophobicContact CD1-CD2 3.98Å; F277-Y315 AromaticContact CD1-CE2 3.82Å; F277-Y315 HydrophobicContact CD1-CE2 3.82Å; F277-Y315 AromaticContact CE1-CD2 3.45Å; F277-Y315 HydrophobicContact CE1-CD2 3.45Å; F277-Y315 VanDerWaalsContact CE1-CD2 3.45Å; 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 3.37Å; Y285-Y315 PolarHBondContact O-OH 2.9Å; L301-Y315 WeakPolarHBondContact CD2-OH 3.48Å; F304-Y315 HydrophobicContact CB-CD1 4.02Å; F304-Y315 HydrophobicContact CB-CE1 4.11Å; F304-Y315 HydrophobicContact CB-CG 4.45Å; F304-Y315 HydrophobicContact CD2-CD1 4.43Å; F304-Y315 AromaticContact CD2-CE1 3.81Å; F304-Y315 HydrophobicContact CD2-CE1 3.81Å; F304-Y315 HydrophobicContact CD2-CE2 4.03Å; F304-Y315 AromaticContact CD2-CZ 3.58Å; F304-Y315 HydrophobicContact CE2-CE2 4.26Å; F304-Y315 HydrophobicContact CG-CD1 4.44Å; F304-Y315 HydrophobicContact CG-CE1 4.25Å; Q311-Y315 PolarHBondContact O-N 2.82Å; Y312-Y315 AromaticContact CD2-CD1 3.92Å; Y312-Y315 HydrophobicContact CD2-CD1 3.92Å; Y312-Y315 AromaticContact CE2-CD1 3.81Å; Y312-Y315 HydrophobicContact CE2-CD1 3.81Å; Y312-Y315 HydrophobicContact CE2-CE1 4.09Å; Y312-Y315 WeakPolarHBondContact O-CB 3.45Å; Y312-Y315 PolarHBondContact O-N 3.47Å; N313-Y315 VanDerWaalsContact C-N 3.34Å; N313-Y315 PolarHBondContact O-N 3.31Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 3.12Å; Y315-Y318 WeakPolarHBondContact O-CB 3.37Å; Y315-Y318 PolarHBondContact O-N 3.11Å
316Q88.8Confident86.9Confident110 Ų11051.2 Ų51.251%0.51427%0.273SS..Hα-helixtrans-65.6-32.9177.3-69.5-172-7500113Y312 N313 R314 Y318Y312-Q316 HydrophobicContact CD1-CG 4.1Å; Y312-Q316 HydrophobicContact CE1-CG 3.69Å; Y312-Q316 WeakPolarHBondContact O-CG 3.39Å; Y312-Q316 PolarHBondContact O-N 3.18Å; N313-Q316 PolarHBondContact O-N 3.42Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.08Å; Q316-Y318 VanDerWaalsContact C-N 3.33Å
317Q86.3Confident86.6Confident100 Ų10055.7 Ų55.747%0.46730%0.295SS..Hα-helixtrans-77.4-19.8177.5-69.9175.3-13.900113N313 R314 Y315 G319 A320 E321N313-Q317 WeakPolarHBondContact O-CG 3.48Å; N313-Q317 PolarHBondContact O-N 2.8Å; N313-Q317 VanDerWaalsContact O-N 3.08Å; R314-Q317 PolarHBondContact O-N 3.33Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 3.12Å; Q317-G319 VanDerWaalsContact C-N 3.29Å; Q317-G319 PolarHBondContact O-N 3.28Å; Q317-G319 VanDerWaalsContact O-N 3.14Å; Q317-A320 WeakPolarHBondContact O-CB 3.38Å; Q317-A320 PolarHBondContact O-N 2.91Å; Q317-E321 WeakPolarHBondContact O-CG 3.41Å; Q317-E321 PolarHBondContact O-N 3.25Å
318Y87.3Confident86.4Confident4 Ų457.4 Ų57.42%0.01632%0.315CS..Hα-helixtrans-49.9-44.5-175.6-165.9-84.1000113.9L272 R275 Q276 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 3.34Å; R275-Y318 HydrophobicContact CB-CE2 4.34Å; R275-Y318 WeakPolarHBondContact CB-OH 3.4Å; R275-Y318 PolarHBondContact O-OH 3.43Å; Q276-Y318 PolarHBondContact N-OH 3.31Å; F277-Y318 HydrophobicContact CB-CD1 4.32Å; F277-Y318 HydrophobicContact CB-CE1 3.74Å; F277-Y318 HydrophobicContact CB-CE2 4.31Å; F277-Y318 HydrophobicContact CD2-CE2 4.22Å; F277-Y318 HydrophobicContact CG-CE2 4.48Å; F277-Y318 PolarHBondContact N-OH 2.87Å; Y285-Y318 AromaticContact CD1-CD1 3.66Å; Y285-Y318 HydrophobicContact CD1-CD1 3.66Å; Y285-Y318 AromaticContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD1-CE1 3.52Å; Y285-Y318 HydrophobicContact CD2-CD1 4.18Å; Y285-Y318 AromaticContact CE1-CD1 3.97Å; Y285-Y318 HydrophobicContact CE1-CD1 3.97Å; Y285-Y318 AromaticContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE1-CE1 3.67Å; Y285-Y318 HydrophobicContact CE2-CD1 4.48Å; Y285-Y318 AromaticContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CD1 3.77Å; Y285-Y318 HydrophobicContact CG-CE1 4.13Å; R314-Y318 PolarHBondContact O-N 2.66Å; R314-Y318 VanDerWaalsContact O-N 3.13Å; Y315-Y318 WeakPolarHBondContact O-CB 3.37Å; Y315-Y318 PolarHBondContact O-N 3.11Å; Q316-Y318 VanDerWaalsContact C-N 3.33Å; Y318-A320 VanDerWaalsContact C-N 3.35Å; Y318-A320 PolarHBondContact O-N 3.48Å; Y318-E321 PolarHBondContact O-N 3.14Å; Y318-E322 HydrophobicContact CD1-CG 3.79Å; Y318-E322 HydrophobicContact CE1-CG 3.39Å; Y318-E322 WeakPolarHBondContact O-CG 3.42Å; Y318-E322 PolarHBondContact O-N 3.44Å
319G82.4Confident86.4Confident28 Ų2856.8 Ų56.829%0.28931%0.309SS..Hα-helixtrans-65.8-35.6-179.800000113.6Y285 Q317 C323Y285-G319 VanDerWaalsContact CE2-CA 3.5Å; Q317-G319 VanDerWaalsContact C-N 3.29Å; Q317-G319 PolarHBondContact O-N 3.28Å; Q317-G319 VanDerWaalsContact O-N 3.14Å; G319-C323 WeakPolarHBondContact O-CB 3.4Å; G319-C323 PolarHBondContact O-N 3.49Å
320A81.6Confident86.4Confident66 Ų6652.8 Ų52.855%0.54529%0.291SS..Hα-helixtrans-70.9-40.6174.600000111.1Q317 Y318 C323 V324Q317-A320 WeakPolarHBondContact O-CB 3.38Å; Q317-A320 PolarHBondContact O-N 2.91Å; Y318-A320 VanDerWaalsContact C-N 3.35Å; Y318-A320 PolarHBondContact O-N 3.48Å; A320-C323 WeakPolarHBondContact O-CB 3.21Å; A320-C323 PolarHBondContact O-N 3.23Å; A320-V324 WeakPolarHBondContact O-CG2 3.26Å; A320-V324 PolarHBondContact O-N 3.46Å; A320-V324 VanDerWaalsContact O-N 3.12Å
321E85.5Confident86.5Confident22 Ų2248.7 Ų48.710%0.10327%0.272CS..Hα-helixtrans-62-44.6176.2-65.9172.9-168.800112.2R275 Q317 Y318 C323 V324 L325 L331R275-E321 IonicContact CZ-OE2 2.75Å; R275-E321 IonicContact NH1-OE2 3.68Å; R275-E321 PolarHBondContact NH1-OE2 2.9Å; R275-E321 VanDerWaalsContact NH2-CB 3.28Å; R275-E321 IonicContact NH2-OE2 3.62Å; R275-E321 PolarHBondContact NH2-OE2 3.34Å; Q317-E321 WeakPolarHBondContact O-CG 3.41Å; Q317-E321 PolarHBondContact O-N 3.25Å; Y318-E321 PolarHBondContact O-N 3.14Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.47Å; E321-V324 PolarHBondContact O-N 3.02Å; E321-L325 WeakPolarHBondContact O-CG 2.9Å; E321-L325 PolarHBondContact O-N 3.25Å; E321-L331 HydrophobicContact CB-CD1 4.07Å; E321-L331 HydrophobicContact CB-CD2 3.89Å; E321-L331 HydrophobicContact CG-CD1 4.34Å; E321-L331 HydrophobicContact CG-CD2 4.05Å
322E85.3Confident86.3Confident36 Ų3648.6 Ų48.617%0.16827%0.272CS..Hα-helixtrans-63.3-38.6176.5-77-60.9123.900112.3R275 Y285 Y318 V324 L325 Q326R275-E322 IonicContact CZ-OE1 3.83Å; R275-E322 IonicContact NE-OE1 2.98Å; R275-E322 PolarHBondContact NE-OE1 3.09Å; R275-E322 IonicContact NH2-OE1 2.68Å; R275-E322 PolarHBondContact NH2-OE1 3.26Å; Y285-E322 HydrophobicContact CE1-CB 4.5Å; Y285-E322 HydrophobicContact CE1-CG 4.01Å; Y285-E322 VanDerWaalsContact OH-CB 3.29Å; Y285-E322 WeakPolarHBondContact OH-CB 3.48Å; Y318-E322 HydrophobicContact CD1-CG 3.79Å; Y318-E322 HydrophobicContact CE1-CG 3.39Å; Y318-E322 WeakPolarHBondContact O-CG 3.42Å; Y318-E322 PolarHBondContact O-N 3.44Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.45Å; E322-L325 PolarHBondContact O-N 3.33Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.03Å; E322-Q326 PolarHBondContact O-N 2.97Å
323C82.3Confident86Confident56 Ų5648.3 Ų48.338%0.37827%0.272SS..Hα-helixtrans-59.6-44.2174.7-172.80000111.4G319 A320 E321 L325 Q326 M327G319-C323 WeakPolarHBondContact O-CB 3.4Å; G319-C323 PolarHBondContact O-N 3.49Å; A320-C323 WeakPolarHBondContact O-CB 3.21Å; A320-C323 PolarHBondContact O-N 3.23Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.47Å; C323-L325 PolarHBondContact O-N 3.34Å; C323-Q326 PolarHBondContact O-N 3Å; C323-M327 WeakPolarHBondContact O-CG 3.49Å; C323-M327 PolarHBondContact O-N 2.92Å; C323-M327 VanDerWaalsContact O-N 3.15Å; C323-M327 VanDerWaalsContact SG-CE 3.57Å
324V85.6Confident85.6Confident23 Ų2349.6 Ų49.614%0.13927%0.271CS..Hα-helixtrans-62.9-42.6176.5170.20000111.6A320 E321 E322 M327 G328 G329 L342A320-V324 WeakPolarHBondContact O-CG2 3.26Å; A320-V324 PolarHBondContact O-N 3.46Å; A320-V324 VanDerWaalsContact O-N 3.12Å; E321-V324 PolarHBondContact O-N 3.02Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.45Å; V324-M327 PolarHBondContact O-N 3.12Å; V324-G328 PolarHBondContact O-N 2.97Å; V324-G329 WeakPolarHBondContact O-CA 3.45Å; V324-G329 PolarHBondContact O-N 3.42Å; V324-L342 HydrophobicContact CG1-CD2 3.98Å; V324-L342 HydrophobicContact CG1-CG 4.28Å
325L86.1Confident84.9Confident63 Ų6350.4 Ų50.433%0.3328%0.282SS..Hα-helixtrans-65.2-39.6177.4-70176000112.3E321 E322 C323 M327 G328 L331E321-L325 WeakPolarHBondContact O-CG 2.9Å; E321-L325 PolarHBondContact O-N 3.25Å; E322-L325 PolarHBondContact O-N 3.33Å; C323-L325 PolarHBondContact O-N 3.34Å; L325-M327 PolarHBondContact O-N 3.38Å; L325-G328 PolarHBondContact O-N 2.9Å; L325-L331 HydrophobicContact CD1-CD1 4.15Å; L325-L331 HydrophobicContact CD2-CG 4.16Å; L325-L331 HydrophobicContact CG-CD1 4.49Å; L325-L331 HydrophobicContact CG-CG 4.34Å
326Q85.3Confident84Confident146 Ų14653 Ų5368%0.68231%0.314SS*.Hα-helixtrans-63.4-29175.3-73.6175.510.100112.6E322 C323 G328E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.03Å; E322-Q326 PolarHBondContact O-N 2.97Å; C323-Q326 PolarHBondContact O-N 3Å; Q326-G328 PolarHBondContact O-N 3.21Å
327M84.6Confident83.5Confident127 Ų12749.2 Ų49.263%0.62630%0.3SS*.THydrogen-bonded Turntrans-79.72173-66.1176-176.600113.6C323 V324 L325 L342C323-M327 WeakPolarHBondContact O-CG 3.49Å; C323-M327 PolarHBondContact O-N 2.92Å; C323-M327 VanDerWaalsContact O-N 3.15Å; C323-M327 VanDerWaalsContact SG-CE 3.57Å; V324-M327 PolarHBondContact O-N 3.12Å; L325-M327 PolarHBondContact O-N 3.38Å; M327-L342 HydrophobicContact CB-CD2 3.83Å; M327-L342 HydrophobicContact SD-CD1 4.39Å
328G84.8Confident83.1Confident45 Ų4545.5 Ų45.546%0.46429%0.288SS..THydrogen-bonded Turntrans82.614-177.700000114.4V324 L325 Q326 R366V324-G328 PolarHBondContact O-N 2.97Å; L325-G328 PolarHBondContact O-N 2.9Å; Q326-G328 PolarHBondContact O-N 3.21Å; G328-R366 PolarHBondContact O-NH2 3.24Å; G328-R366 VanDerWaalsContact O-NH2 3.09Å
329G86.9Confident82.9Confident11 Ų1146.9 Ų46.911%0.11330%0.3CS..  trans-74.7-177.7174.500000114V324 L341V324-G329 WeakPolarHBondContact O-CA 3.45Å; V324-G329 PolarHBondContact O-N 3.42Å; G329-L341 CarbonylContact C-O 3.53Å; G329-L341 WeakPolarHBondContact CA-O 3.46Å
330V88.1Confident83Confident11 Ų1147.4 Ų47.47%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-135150179.467.40000110.3L341 P343 V350 F364V330-L341 HydrophobicContact CG1-CB 4.22Å; V330-L341 PolarHBondContact N-O 3.13Å; V330-L341 WeakPolarHBondContact O-CA 3.47Å; V330-L341 WeakPolarHBondContact O-CB 3.25Å; V330-L341 PolarHBondContact O-N 3.46Å; V330-P343 HydrophobicContact CG1-CG 3.98Å; V330-V350 HydrophobicContact CG1-CG1 3.95Å; V330-V350 HydrophobicContact CG1-CG2 4.24Å; V330-F364 HydrophobicContact CG1-CE2 4.29Å; V330-F364 HydrophobicContact CG1-CZ 4.09Å; V330-F364 HydrophobicContact CG2-CE2 4.11Å
331L87.7Confident83.3Confident14 Ų1445.2 Ų45.27%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-96147.1176.3-55179.9000110.9R275 E321 L325 P333R275-L331 VanDerWaalsContact CZ-CD1 3.47Å; E321-L331 HydrophobicContact CB-CD1 4.07Å; E321-L331 HydrophobicContact CB-CD2 3.89Å; E321-L331 HydrophobicContact CG-CD1 4.34Å; E321-L331 HydrophobicContact CG-CD2 4.05Å; L325-L331 HydrophobicContact CD1-CD1 4.15Å; L325-L331 HydrophobicContact CD2-CG 4.16Å; L325-L331 HydrophobicContact CG-CD1 4.49Å; L325-L331 HydrophobicContact CG-CG 4.34Å; L331-P333 WeakPolarHBondContact O-CD 3.25Å
332C86.3Confident83.3Confident3 Ų349.4 Ų49.42%0.0231%0.307CS..  trans-62.1124.5173.6-173.60000110.8R334 C337 A339 L341 C360C332-R334 VanDerWaalsContact C-N 3.25Å; C332-R334 PolarHBondContact O-N 2.94Å; C332-C337 HydrophobicContact CB-CB 4.36Å; C332-A339 HydrophobicContact CB-CB 4.42Å; C332-A339 PolarHBondContact N-O 3.16Å; C332-L341 HydrophobicContact CB-CD1 4.2Å; C332-C360 PolarHBondContact SG-SG 3.21Å
333P84.1Confident83.3Confident12 Ų1249 Ų498%0.07831%0.307CS..  trans-75.2-14-178.128.8-34.5000113.4S9 H11 L331 F362 F364 K369S9-P333 PolarHBondContact OG-O 3.2Å; H11-P333 HydrophobicContact CB-CB 4.32Å; L331-P333 WeakPolarHBondContact O-CD 3.25Å; P333-F362 HydrophobicContact CG-CD1 4.43Å; P333-F362 HydrophobicContact CG-CE1 4.21Å; P333-F364 HydrophobicContact CG-CB 4.14Å; P333-F364 HydrophobicContact CG-CD1 4.18Å; P333-F364 HydrophobicContact CG-CD2 3.81Å; P333-F364 HydrophobicContact CG-CE2 4.21Å; P333-F364 HydrophobicContact CG-CG 3.79Å; P333-K369 HydrophobicContact CB-CB 4.11Å; P333-K369 WeakPolarHBondContact CB-O 3.48Å; P333-K369 HydrophobicContact CG-CB 4.42Å; P333-K369 WeakPolarHBondContact CG-O 3.48Å
334R81.4Confident83.4Confident106 Ų10653 Ų5340%0.432%0.32SS..SBendtrans-64.5127.6-177.4-175.1172.2-77.8-169.2-4.6110.4C332 G336 C337 C360C332-R334 VanDerWaalsContact C-N 3.25Å; C332-R334 PolarHBondContact O-N 2.94Å; R334-G336 PolarHBondContact O-N 2.7Å; R334-C337 HydrophobicContact CB-CB 4.32Å; R334-C337 PolarHBondContact O-N 3.45Å; R334-C360 PolarHBondContact NH1-O 3.38Å
335P72.3Confident83.2Confident57 Ų5756.3 Ų56.337%0.3734%0.342SS..THydrogen-bonded Turntrans-53.1131.1176.7-25.733.8000111.6C337P335-C337 VanDerWaalsContact C-N 3.32Å; P335-C337 PolarHBondContact O-N 3.12Å
336G71.6Confident83.1Confident73 Ų7361.1 Ų61.175%0.75337%0.368SS*.THydrogen-bonded Turntrans80.8-7.7178.100000116.6R334R334-G336 PolarHBondContact O-N 2.7Å
337C79Confident83.2Confident31 Ų3158.5 Ų58.521%0.20936%0.356CS..THydrogen-bonded Turntrans-90.1-59.3175.8-1770000112.3C332 R334 P335 A339 C360C332-C337 HydrophobicContact CB-CB 4.36Å; R334-C337 HydrophobicContact CB-CB 4.32Å; R334-C337 PolarHBondContact O-N 3.45Å; P335-C337 VanDerWaalsContact C-N 3.32Å; P335-C337 PolarHBondContact O-N 3.12Å; C337-A339 PolarHBondContact O-N 2.75Å; C337-C360 HydrophobicContact CB-CB 4.2Å
338G76.2Confident83.3Confident21 Ų2156.4 Ų56.422%0.21634%0.342CS..  trans59.67.8175.600000116.4G340G338-G340 PolarHBondContact O-N 2.91Å
339A83.6Confident83.6Confident33 Ų3358.8 Ų58.827%0.27334%0.339SS..  trans-59.5131.8-173.800000111.9C332 C337C332-A339 HydrophobicContact CB-CB 4.42Å; C332-A339 PolarHBondContact N-O 3.16Å; C337-A339 PolarHBondContact O-N 2.75Å
340G85.5Confident83.8Confident39 Ų3958.4 Ų58.440%0.40234%0.335SS..EExtended strand (participates in β ladder)trans-77.1121.8173.800000111.6G338G338-G340 PolarHBondContact O-N 2.91Å
341L86.4Confident83.8Confident21 Ų2160 Ų6011%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-116.7137.4-175.3-61.1149.5000109.3G329 V330 C332 P343 V350 C352 F364G329-L341 CarbonylContact C-O 3.53Å; G329-L341 WeakPolarHBondContact CA-O 3.46Å; V330-L341 HydrophobicContact CG1-CB 4.22Å; V330-L341 PolarHBondContact N-O 3.13Å; V330-L341 WeakPolarHBondContact O-CA 3.47Å; V330-L341 WeakPolarHBondContact O-CB 3.25Å; V330-L341 PolarHBondContact O-N 3.46Å; C332-L341 HydrophobicContact CB-CD1 4.2Å; L341-P343 WeakPolarHBondContact O-CD 3.4Å; L341-V350 HydrophobicContact CB-CG1 4.36Å; L341-V350 HydrophobicContact CD1-CG1 4.03Å; L341-C352 HydrophobicContact CD1-CB 4.34Å; L341-F364 HydrophobicContact CD1-CE1 3.78Å; L341-F364 HydrophobicContact CD1-CZ 3.78Å
342L86.1Confident83.8Confident110 Ų11059.4 Ų59.458%0.57634%0.341SS*.  trans-114.674.7174.9-67.6169.4000109.1V324 M327V324-L342 HydrophobicContact CG1-CD2 3.98Å; V324-L342 HydrophobicContact CG1-CG 4.28Å; M327-L342 HydrophobicContact CB-CD2 3.83Å; M327-L342 HydrophobicContact SD-CD1 4.39Å
343P85.5Confident83.2Confident27 Ų2766.4 Ų66.418%0.17537%0.374CS..  trans-72.8163.817433.1-35.6000110.9V330 L341 V350V330-P343 HydrophobicContact CG1-CG 3.98Å; L341-P343 WeakPolarHBondContact O-CD 3.4Å; P343-V350 HydrophobicContact CB-CG1 4.35Å; P343-V350 HydrophobicContact CB-CG2 4.11Å; P343-V350 HydrophobicContact CG-CG1 4.3Å; P343-V350 HydrophobicContact CG-CG2 3.97Å
344E84.8Confident82.1Confident139 Ų13967.2 Ų67.265%0.6538%0.384SS*.  trans-58.2145171.8-66.4-64.3157.400110.8D346 Q347 R366E344-D346 VanDerWaalsContact C-N 3.27Å; E344-D346 PolarHBondContact O-N 2.63Å; E344-D346 VanDerWaalsContact O-N 3.15Å; E344-Q347 HydrophobicContact CB-CB 4.13Å; E344-Q347 WeakPolarHBondContact O-CB 3.5Å; E344-Q347 PolarHBondContact O-N 2.88Å; E344-R366 PolarHBondContact O-NH1 2.91Å; E344-R366 VanDerWaalsContact O-NH1 3.17Å
345P81.3Confident80.9Confident93 Ų9366 Ų6660%0.60441%0.405SS*.THydrogen-bonded Turntrans-53.5-38.4-173.1-2835000114.8R366P345-R366 PolarHBondContact O-NH1 3.42Å
346D83.7Confident80.1Confident164 Ų16470.6 Ų70.688%0.87743%0.426SS*.THydrogen-bonded Turntrans-94.73.7-176-62.7-35.7000113.5E344 R348E344-D346 VanDerWaalsContact C-N 3.27Å; E344-D346 PolarHBondContact O-N 2.63Å; E344-D346 VanDerWaalsContact O-N 3.15Å; D346-R348 PolarHBondContact O-N 3.13Å
347Q87.5Confident79.4Confident91 Ų9170.7 Ų70.743%0.42543%0.427SS..  trans-85.1110.4-174.9-162.3174.316.700111.7E344 K349E344-Q347 HydrophobicContact CB-CB 4.13Å; E344-Q347 WeakPolarHBondContact O-CB 3.5Å; E344-Q347 PolarHBondContact O-N 2.88Å; Q347-K349 WeakPolarHBondContact CG-O 3.43Å
348R87.6Confident78.6Confident84 Ų8476.6 Ų76.632%0.31746%0.456SS..  trans-76.3-33.1177.4-173.4171.9174.3-169.6-10113.4D346 C365 R366 H373 G375 C377D346-R348 PolarHBondContact O-N 3.13Å; R348-C365 PolarHBondContact NE-SG 3.02Å; R348-C365 WeakPolarHBondContact O-CA 3.46Å; R348-R366 PolarHBondContact O-N 3.37Å; R348-H373 PolarHBondContact NH2-CE1 3.34Å; R348-G375 PolarHBondContact NH1-O 3.04Å; R348-G375 PolarHBondContact NH2-O 2.9Å; R348-C377 PolarHBondContact NH2-SG 3.16Å
349K90.6Very high78.2Confident94 Ų9476.6 Ų76.641%0.40946%0.456SS..EExtended strand (participates in β ladder)trans-86110.1176.6-173174.9179-178.30109.8Q347 Y372Q347-K349 WeakPolarHBondContact CG-O 3.43Å; K349-Y372 HydrophobicContact CB-CD2 3.61Å; K349-Y372 HydrophobicContact CB-CE2 3.36Å; K349-Y372 HydrophobicContact CB-CG 4.41Å; K349-Y372 HydrophobicContact CD-CD1 4.07Å; K349-Y372 HydrophobicContact CD-CD2 4.13Å; K349-Y372 HydrophobicContact CD-CE1 3.98Å; K349-Y372 HydrophobicContact CD-CE2 4.05Å; K349-Y372 HydrophobicContact CD-CG 4.12Å; K349-Y372 HydrophobicContact CG-CD1 4.31Å; K349-Y372 HydrophobicContact CG-CD2 3.54Å; K349-Y372 HydrophobicContact CG-CE1 4.44Å; K349-Y372 HydrophobicContact CG-CE2 3.7Å; K349-Y372 HydrophobicContact CG-CG 3.85Å
350V89.9Confident78.1Confident4 Ų476.7 Ų76.72%0.02445%0.454CS..EExtended strand (participates in β ladder)trans-109.8123.7176.6-174.10000108.6V330 L341 P343 A363 F364 R366V330-V350 HydrophobicContact CG1-CG1 3.95Å; V330-V350 HydrophobicContact CG1-CG2 4.24Å; L341-V350 HydrophobicContact CB-CG1 4.36Å; L341-V350 HydrophobicContact CD1-CG1 4.03Å; P343-V350 HydrophobicContact CB-CG1 4.35Å; P343-V350 HydrophobicContact CB-CG2 4.11Å; P343-V350 HydrophobicContact CG-CG1 4.3Å; P343-V350 HydrophobicContact CG-CG2 3.97Å; V350-A363 CarbonylContact O-C 3.24Å; V350-A363 WeakPolarHBondContact O-CA 3.36Å; V350-F364 HydrophobicContact CB-CD1 4.4Å; V350-F364 HydrophobicContact CB-CD2 4.43Å; V350-F364 HydrophobicContact CB-CE1 3.98Å; V350-F364 HydrophobicContact CB-CE2 4.02Å; V350-F364 HydrophobicContact CB-CZ 3.79Å; V350-F364 HydrophobicContact CG1-CE1 3.77Å; V350-F364 HydrophobicContact CG1-CE2 4.26Å; V350-F364 HydrophobicContact CG1-CZ 3.57Å; V350-F364 PolarHBondContact N-O 3.36Å; V350-F364 WeakPolarHBondContact O-CD1 3.39Å; V350-F364 PolarHBondContact O-N 3.39Å; V350-R366 HydrophobicContact CG2-CB 3.97Å
351T88.7Confident78Confident45 Ų4577.4 Ų77.428%0.27646%0.462SS..EExtended strand (participates in β ladder)trans-105.7131.2173.9-48.10000109.1E353 A363T351-E353 HydrophobicContact CG2-CG 3.64Å; T351-E353 PolarHBondContact O-N 2.89Å; T351-A363 HydrophobicContact CG2-CB 4.4Å
352C86.9Confident78.1Confident1 Ų178.7 Ų78.71%0.00747%0.467CS..  trans-75.674.7172.5-171.50000110.5L341 G359 C360 G361 F362L341-C352 HydrophobicContact CD1-CB 4.34Å; C352-G359 CarbonylContact O-C 3.57Å; C352-G359 WeakPolarHBondContact O-CA 3.47Å; C352-C360 VanDerWaalsContact CB-SG 3.6Å; C352-C360 PolarHBondContact SG-N 3.45Å; C352-C360 VanDerWaalsContact SG-N 3.43Å; C352-C360 VanDerWaalsContact SG-SG 3.67Å; C352-G361 PolarHBondContact O-N 2.95Å; C352-F362 PolarHBondContact N-O 3.38Å
353E75.6Confident78.3Confident150 Ų15075 Ų7570%0.70145%0.451SS*.  trans-93.1103.5172.6-63.7-178.1-171.900107.6T351T351-E353 HydrophobicContact CG2-CG 3.64Å; T351-E353 PolarHBondContact O-N 2.89Å
354G61Low78.6Confident29 Ų2973.7 Ų73.730%0.29944%0.443SS..  trans-70.8139.5179.500000109.7N356 G357G354-N356 PolarHBondContact O-N 3.48Å; G354-G357 PolarHBondContact O-N 3.26Å; G354-G357 VanDerWaalsContact O-N 3.08Å
355G55.3Low78.8Confident81 Ų8167 Ų6784%0.83541%0.412SS*.THydrogen-bonded Turntrans-63.718.6177.900000116.3
356N56.4Low79.1Confident153 Ų15365.4 Ų65.482%0.81839%0.394SS*.THydrogen-bonded Turntrans-168.430.3171.9-86.2-30.7000111.8G354 L358G354-N356 PolarHBondContact O-N 3.48Å; N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 2.95Å
357G55.4Low79.2Confident74 Ų7462.9 Ų62.976%0.76338%0.377SS*.SBendtrans7710.1179.600000116.1G354G354-G357 PolarHBondContact O-N 3.26Å; G354-G357 VanDerWaalsContact O-N 3.08Å
358L63.6Low79Confident155 Ų15558.9 Ų58.981%0.81236%0.359SS*.  trans-89.40.1175.9-76.8156.9000114N356N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 2.95Å
359G67.9Low79Confident21 Ų2157.8 Ų57.822%0.21636%0.356CS..SBendtrans-76150175.600000110.7C352 G361C352-G359 CarbonylContact O-C 3.57Å; C352-G359 WeakPolarHBondContact O-CA 3.47Å; G359-G361 PolarHBondContact O-N 3.42Å
360C81.2Confident78.7Confident35 Ų3556.6 Ų56.624%0.23635%0.352CS..  trans-75.6-1.8-178.469.90000114.2C332 R334 C337 C352 F362C332-C360 PolarHBondContact SG-SG 3.21Å; R334-C360 PolarHBondContact NH1-O 3.38Å; C337-C360 HydrophobicContact CB-CB 4.2Å; C352-C360 VanDerWaalsContact CB-SG 3.6Å; C352-C360 PolarHBondContact SG-N 3.45Å; C352-C360 VanDerWaalsContact SG-N 3.43Å; C352-C360 VanDerWaalsContact SG-SG 3.67Å; C360-F362 PolarHBondContact O-N 2.9Å; C360-F362 VanDerWaalsContact O-N 3.14Å; C360-F362 VanDerWaalsContact SG-CB 3.53Å
361G83.8Confident78.6Confident55 Ų5558.8 Ų58.857%0.56737%0.371SS*.  trans68.47179.500000114.5C352 G359C352-G361 PolarHBondContact O-N 2.95Å; G359-G361 PolarHBondContact O-N 3.42Å
362F87.6Confident78.7Confident48 Ų4860.1 Ų60.121%0.21137%0.371CS..  trans-78.6127.5-178.8-172.6-124000111.1P333 C352 C360 F364 A371P333-F362 HydrophobicContact CG-CD1 4.43Å; P333-F362 HydrophobicContact CG-CE1 4.21Å; C352-F362 PolarHBondContact N-O 3.38Å; C360-F362 PolarHBondContact O-N 2.9Å; C360-F362 VanDerWaalsContact O-N 3.14Å; C360-F362 VanDerWaalsContact SG-CB 3.53Å; F362-F364 HydrophobicContact CD1-CB 3.93Å; F362-F364 HydrophobicContact CD1-CD1 4.14Å; F362-F364 HydrophobicContact CD1-CG 4.42Å; F362-F364 HydrophobicContact CE1-CB 3.63Å; F362-F364 HydrophobicContact CE1-CG 4.48Å; F362-F364 HydrophobicContact CZ-CB 4.42Å; F362-A371 HydrophobicContact CE2-CB 4.11Å; F362-A371 HydrophobicContact CZ-CB 3.9Å
363A90.3Very high78.7Confident31 Ų3162.5 Ų62.526%0.25638%0.382SS..EExtended strand (participates in β ladder)trans-96124.2170.900000110V350 T351 Y372V350-A363 CarbonylContact O-C 3.24Å; V350-A363 WeakPolarHBondContact O-CA 3.36Å; T351-A363 HydrophobicContact CG2-CB 4.4Å; A363-Y372 PolarHBondContact O-N 2.91Å
364F90.9Very high79.2Confident0 Ų062.4 Ų62.40%038%0.382CS..EExtended strand (participates in β ladder)trans-135161.3-175.265.9-84.1000111.8V330 P333 L341 V350 F362 E370V330-F364 HydrophobicContact CG1-CE2 4.29Å; V330-F364 HydrophobicContact CG1-CZ 4.09Å; V330-F364 HydrophobicContact CG2-CE2 4.11Å; P333-F364 HydrophobicContact CG-CB 4.14Å; P333-F364 HydrophobicContact CG-CD1 4.18Å; P333-F364 HydrophobicContact CG-CD2 3.81Å; P333-F364 HydrophobicContact CG-CE2 4.21Å; P333-F364 HydrophobicContact CG-CG 3.79Å; L341-F364 HydrophobicContact CD1-CE1 3.78Å; L341-F364 HydrophobicContact CD1-CZ 3.78Å; V350-F364 HydrophobicContact CB-CD1 4.4Å; V350-F364 HydrophobicContact CB-CD2 4.43Å; V350-F364 HydrophobicContact CB-CE1 3.98Å; V350-F364 HydrophobicContact CB-CE2 4.02Å; V350-F364 HydrophobicContact CB-CZ 3.79Å; V350-F364 HydrophobicContact CG1-CE1 3.77Å; V350-F364 HydrophobicContact CG1-CE2 4.26Å; V350-F364 HydrophobicContact CG1-CZ 3.57Å; V350-F364 PolarHBondContact N-O 3.36Å; V350-F364 WeakPolarHBondContact O-CD1 3.39Å; V350-F364 PolarHBondContact O-N 3.39Å; F362-F364 HydrophobicContact CD1-CB 3.93Å; F362-F364 HydrophobicContact CD1-CD1 4.14Å; F362-F364 HydrophobicContact CD1-CG 4.42Å; F362-F364 HydrophobicContact CE1-CB 3.63Å; F362-F364 HydrophobicContact CE1-CG 4.48Å; F362-F364 HydrophobicContact CZ-CB 4.42Å; F364-E370 CarbonylContact C-O 3.6Å; F364-E370 WeakPolarHBondContact CA-O 3.29Å; F364-E370 WeakPolarHBondContact CB-O 3.48Å
365C90.4Very high80.4Confident0 Ų063.2 Ų63.20%039%0.39CS..EExtended strand (participates in β ladder)trans-81.3130.4174.3-179.20000110.5R348 E367 C368 K369 E370R348-C365 PolarHBondContact NE-SG 3.02Å; R348-C365 WeakPolarHBondContact O-CA 3.46Å; C365-E367 VanDerWaalsContact C-N 3.27Å; C365-E367 PolarHBondContact O-N 3.21Å; C365-C368 WeakPolarHBondContact CB-SG 3.42Å; C365-K369 WeakPolarHBondContact O-CA 3.43Å; C365-K369 PolarHBondContact O-N 3.41Å; C365-E370 PolarHBondContact N-O 3.18Å
366R86.6Confident81.7Confident58 Ų5868.1 Ų68.122%0.21939%0.391CS..THydrogen-bonded Turntrans-56.5-41.5176.7-176.5-179.7179140.86.7112.9G328 E344 P345 R348 V350G328-R366 PolarHBondContact O-NH2 3.24Å; G328-R366 VanDerWaalsContact O-NH2 3.09Å; E344-R366 PolarHBondContact O-NH1 2.91Å; E344-R366 VanDerWaalsContact O-NH1 3.17Å; P345-R366 PolarHBondContact O-NH1 3.42Å; R348-R366 PolarHBondContact O-N 3.37Å; V350-R366 HydrophobicContact CG2-CB 3.97Å
367E85.8Confident83Confident112 Ų11262.9 Ų62.952%0.52337%0.366SS..THydrogen-bonded Turntrans-72.4-66.9-177.5-59.7-54.3123.100110C365 K369 F381C365-E367 VanDerWaalsContact C-N 3.27Å; C365-E367 PolarHBondContact O-N 3.21Å; E367-K369 PolarHBondContact O-N 3.14Å; E367-F381 WeakPolarHBondContact O-CE1 3.35Å; E367-F381 WeakPolarHBondContact O-CZ 3.43Å
368C84.3Confident84.1Confident6 Ų663.5 Ų63.54%0.04136%0.359CS..THydrogen-bonded Turntrans-85.5-4.5-170.870.60000115C365 E370 H373 C377 F381C365-C368 WeakPolarHBondContact CB-SG 3.42Å; C368-E370 PolarHBondContact O-N 2.72Å; C368-H373 PolarHBondContact SG-NE2 2.95Å; C368-C377 HydrophobicContact CB-CB 4.01Å; C368-F381 HydrophobicContact CB-CD2 3.64Å; C368-F381 HydrophobicContact CB-CE2 4.02Å; C368-F381 HydrophobicContact CB-CG 4.17Å; C368-F381 WeakPolarHBondContact O-CD2 3.42Å; C368-F381 WeakPolarHBondContact O-CE2 3.49Å
369K86.1Confident84Confident62 Ų6260.7 Ų60.727%0.2736%0.358SS..  trans54.67.6-178.4-59.1-179.7-172176.80115.9H11 P333 C365 E367 F381H11-K369 HydrophobicContact CB-CD 4.28Å; P333-K369 HydrophobicContact CB-CB 4.11Å; P333-K369 WeakPolarHBondContact CB-O 3.48Å; P333-K369 HydrophobicContact CG-CB 4.42Å; P333-K369 WeakPolarHBondContact CG-O 3.48Å; C365-K369 WeakPolarHBondContact O-CA 3.43Å; C365-K369 PolarHBondContact O-N 3.41Å; E367-K369 PolarHBondContact O-N 3.14Å; K369-F381 HydrophobicContact CG-CZ 4.46Å
370E85.6Confident83.7Confident68 Ų6861.6 Ų61.632%0.31836%0.359SS..SBendtrans-86.4174.1172.3-71.8-64.1162.300111.6P14 F364 C365 C368 Y372P14-E370 WeakPolarHBondContact CD-OE1 3.26Å; F364-E370 CarbonylContact C-O 3.6Å; F364-E370 WeakPolarHBondContact CA-O 3.29Å; F364-E370 WeakPolarHBondContact CB-O 3.48Å; C365-E370 PolarHBondContact N-O 3.18Å; C368-E370 PolarHBondContact O-N 2.72Å; E370-Y372 PolarHBondContact O-N 2.96Å
371A87.6Confident82.7Confident51 Ų5162.2 Ų62.242%0.42136%0.358SS..BIsolated β-bridgetrans-49.6138.2174.500000111.2F362 H373F362-A371 HydrophobicContact CE2-CB 4.11Å; F362-A371 HydrophobicContact CZ-CB 3.9Å; A371-H373 PolarHBondContact O-N 3.41Å
372Y89.9Confident81.3Confident73 Ų7360.4 Ų60.429%0.28634%0.335SS..  trans-55.8131.5-175.5177.9-100.7000111.4K349 A363 E370 E374K349-Y372 HydrophobicContact CB-CD2 3.61Å; K349-Y372 HydrophobicContact CB-CE2 3.36Å; K349-Y372 HydrophobicContact CB-CG 4.41Å; K349-Y372 HydrophobicContact CD-CD1 4.07Å; K349-Y372 HydrophobicContact CD-CD2 4.13Å; K349-Y372 HydrophobicContact CD-CE1 3.98Å; K349-Y372 HydrophobicContact CD-CE2 4.05Å; K349-Y372 HydrophobicContact CD-CG 4.12Å; K349-Y372 HydrophobicContact CG-CD1 4.31Å; K349-Y372 HydrophobicContact CG-CD2 3.54Å; K349-Y372 HydrophobicContact CG-CE1 4.44Å; K349-Y372 HydrophobicContact CG-CE2 3.7Å; K349-Y372 HydrophobicContact CG-CG 3.85Å; A363-Y372 PolarHBondContact O-N 2.91Å; E370-Y372 PolarHBondContact O-N 2.96Å; Y372-E374 VanDerWaalsContact CE1-OE1 3.25Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.31Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E374 VanDerWaalsContact OH-CD 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.22Å
373H87.6Confident79.1Confident50 Ų5061.5 Ų61.523%0.23135%0.353CS..  trans-140.6152.6179.468.987000110.1R348 C368 A371 E376R348-H373 PolarHBondContact NH2-CE1 3.34Å; C368-H373 PolarHBondContact SG-NE2 2.95Å; A371-H373 PolarHBondContact O-N 3.41Å; H373-E376 PolarHBondContact CE1-O 3.02Å
374E84.9Confident76.8Confident149 Ų14965.6 Ų65.670%0.69638%0.379SS*.SBendtrans-86.5150.3170.8-63.2-64.7158.400109.5Y372Y372-E374 VanDerWaalsContact CE1-OE1 3.25Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.31Å; Y372-E374 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E374 VanDerWaalsContact OH-CD 3.29Å; Y372-E374 PolarHBondContact OH-OE1 3.22Å
375G86.2Confident74.2Confident46 Ų4668.6 Ų68.647%0.47441%0.411SS..SBendtrans90.5-163.9178.900000115.3R348R348-G375 PolarHBondContact NH1-O 3.04Å; R348-G375 PolarHBondContact NH2-O 2.9Å
376E84Confident71.5Confident183 Ų18372.5 Ų72.586%0.85543%0.434SS*.SBendtrans-70.5145.9-177.2-66.4-175173.400112.2H373H373-E376 PolarHBondContact CE1-O 3.02Å
377C84.1Confident68.9Low44 Ų4476.4 Ų76.430%0.29747%0.465SS..PPolyproline II helixtrans-65.1144.8171.8-68.60000110.1R348 C368 A379R348-C377 PolarHBondContact NH2-SG 3.16Å; C368-C377 HydrophobicContact CB-CB 4.01Å; C377-A379 PolarHBondContact O-N 3.34Å
378S76.8Confident66.8Low86 Ų8674.8 Ų74.860%0.60146%0.463SS*.PPolyproline II helixtrans-54.1136.6172.5-176.40000110.3V380S378-V380 PolarHBondContact O-N 2.88Å
379A62.9Low64.9Low97 Ų9780.8 Ų80.880%0.80249%0.49SS*.SBendtrans-60.2-12.7-17900000113.5C377 F381C377-A379 PolarHBondContact O-N 3.34Å; A379-F381 PolarHBondContact O-N 2.89Å
380V61Low63.2Low39 Ų3981 Ų8124%0.23650%0.504CS..  trans-96.161.8177.5-160.20000110I2 F4 S378I2-V380 HydrophobicContact CB-CG1 4Å; I2-V380 HydrophobicContact CD1-CB 4.16Å; I2-V380 HydrophobicContact CD1-CG1 3.62Å; I2-V380 HydrophobicContact CD1-CG2 3.61Å; I2-V380 HydrophobicContact CG1-CG1 4.4Å; I2-V380 HydrophobicContact CG2-CG1 3.71Å; F4-V380 HydrophobicContact CZ-CG1 4.04Å; F4-V380 WeakPolarHBondContact CZ-O 3.38Å; S378-V380 PolarHBondContact O-N 2.88Å
381F61.3Low62.2Low49 Ų4979.6 Ų79.622%0.21550%0.496CS..  trans-102.9146.3174.3-169.7-117.2000111.7E367 C368 K369 A379 A383E367-F381 WeakPolarHBondContact O-CE1 3.35Å; E367-F381 WeakPolarHBondContact O-CZ 3.43Å; C368-F381 HydrophobicContact CB-CD2 3.64Å; C368-F381 HydrophobicContact CB-CE2 4.02Å; C368-F381 HydrophobicContact CB-CG 4.17Å; C368-F381 WeakPolarHBondContact O-CD2 3.42Å; C368-F381 WeakPolarHBondContact O-CE2 3.49Å; K369-F381 HydrophobicContact CG-CZ 4.46Å; A379-F381 PolarHBondContact O-N 2.89Å; F381-A383 VanDerWaalsContact C-N 3.28Å; F381-A383 PolarHBondContact O-N 2.98Å
382E53.1Low61.4Low17 Ų1787 Ų878%0.07951%0.513CS..  trans-60.892.6170.8-78.3-173.7137.700107.4F4 R6 H11 G12 S384F4-E382 HydrophobicContact CB-CG 4.23Å; F4-E382 HydrophobicContact CD1-CG 3.55Å; F4-E382 HydrophobicContact CD2-CG 3.84Å; F4-E382 HydrophobicContact CE1-CG 3.73Å; F4-E382 HydrophobicContact CE2-CG 3.99Å; F4-E382 HydrophobicContact CG-CG 3.6Å; F4-E382 HydrophobicContact CZ-CG 3.95Å; R6-E382 IonicContact CZ-OE1 3.45Å; R6-E382 IonicContact NE-OE1 3.39Å; R6-E382 PolarHBondContact NE-OE1 3.12Å; R6-E382 IonicContact NH2-OE1 3.23Å; R6-E382 PolarHBondContact NH2-OE1 3.25Å; H11-E382 IonicContact CE1-OE2 3.57Å; H11-E382 IonicContact CG-OE2 3.2Å; H11-E382 IonicContact ND1-OE2 3.53Å; H11-E382 PolarHBondContact ND1-OE2 2.98Å; G12-E382 WeakPolarHBondContact CA-OE1 3.37Å; G12-E382 PolarHBondContact N-OE1 3.15Å; G12-E382 VanDerWaalsContact N-OE1 3.16Å; G12-E382 PolarHBondContact N-OE2 3.01Å; E382-S384 PolarHBondContact O-N 2.78Å
383A42.7Very low60.9Low71 Ų7184.7 Ų84.759%0.58751%0.507SS*.  trans-57.6118.7169.500000107.2F381 G385F381-A383 VanDerWaalsContact C-N 3.28Å; F381-A383 PolarHBondContact O-N 2.98Å; A383-G385 CarbonylContact O-C 3.56Å; A383-G385 PolarHBondContact O-N 2.68Å
384S41Very low60.8Low116 Ų11687.1 Ų87.181%0.81152%0.521SS*.SBendtrans-56.6-1.7176.4-64.40000114.2E382 T386E382-S384 PolarHBondContact O-N 2.78Å; S384-T386 PolarHBondContact O-N 2.83Å
385G35.4Very low60.8Low64 Ų6487.8 Ų87.866%0.6652%0.524SS*.  trans-80.380.1165.300000111.2A383 T387A383-G385 CarbonylContact O-C 3.56Å; A383-G385 PolarHBondContact O-N 2.68Å; G385-T387 PolarHBondContact O-N 2.82Å; G385-T387 VanDerWaalsContact O-N 3.12Å
386T34.8Very low60.9Low81 Ų8194.9 Ų94.950%0.49754%0.537SS..  trans-56.2114170.835.70000110.5S384 T388S384-T386 PolarHBondContact O-N 2.83Å; T386-T388 HydrophobicContact CG2-CG2 4.13Å; T386-T388 PolarHBondContact O-N 3.38Å; T386-T388 PolarHBondContact OG1-OG1 2.98Å
387T32.4Very low61Low140 Ų14086.5 Ų86.586%0.85950%0.499SS*.  trans-72.672.3146.9-48.50000105.8G385 Q389G385-T387 PolarHBondContact O-N 2.82Å; G385-T387 VanDerWaalsContact O-N 3.12Å; T387-Q389 PolarHBondContact O-N 3.19Å
388T40.9Very low61.2Low79 Ų7985 Ų8549%0.48549%0.49SS..  trans-69.691.2173.113.50000105.6T386 A390T386-T388 HydrophobicContact CG2-CG2 4.13Å; T386-T388 PolarHBondContact O-N 3.38Å; T386-T388 PolarHBondContact OG1-OG1 2.98Å; T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.33Å
389Q44.1Very low61.7Low132 Ų13286.3 Ų86.362%0.61749%0.486SS*.  trans-54.2107160.4-90.2-174.1-3.100105.9A46 T387 Y391A46-Q389 HydrophobicContact CB-CB 4.41Å; T387-Q389 PolarHBondContact O-N 3.19Å; Q389-Y391 PolarHBondContact O-N 3.15Å
390A51.3Low62.8Low67 Ų6787.3 Ų87.355%0.55448%0.475SS*.  trans-57.2118.7-177.600000107.6T388 R392T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.33Å; A390-R392 PolarHBondContact O-N 3.32Å
391Y64.7Low64.1Low38 Ų3885.5 Ų85.515%0.14946%0.463CS..  trans-55106.3170.1173.5-101.3000108.1A46 G47 T240 R271 V290 Q389 V393A46-Y391 VanDerWaalsContact O-CD2 3.32Å; A46-Y391 WeakPolarHBondContact O-CD2 2.99Å; G47-Y391 VanDerWaalsContact CA-CD2 3.44Å; G47-Y391 WeakPolarHBondContact O-CE2 3.35Å; T240-Y391 VanDerWaalsContact CG2-OH 3.24Å; T240-Y391 WeakPolarHBondContact CG2-OH 3.39Å; T240-Y391 PolarHBondContact OG1-OH 2.98Å; T240-Y391 VanDerWaalsContact OG1-OH 3.13Å; R271-Y391 VanDerWaalsContact NH2-CB 3.34Å; V290-Y391 HydrophobicContact CB-CE1 4.5Å; V290-Y391 HydrophobicContact CG2-CD1 4.24Å; V290-Y391 HydrophobicContact CG2-CE1 3.3Å; Q389-Y391 PolarHBondContact O-N 3.15Å; Y391-V393 HydrophobicContact CD1-CG2 4.34Å; Y391-V393 HydrophobicContact CE1-CG2 3.5Å; Y391-V393 VanDerWaalsContact CE1-CG2 3.5Å
392R69.7Low65.5Low205 Ų20587.6 Ų87.677%0.77447%0.47SS*.  trans-108.9122.6175-75.2-175.9-177.4143.81108.2A390A390-R392 PolarHBondContact O-N 3.32Å
393V80.3Confident66.9Low26 Ų2686.9 Ų86.916%0.15847%0.466CS..  trans-69.8142.1169.6178.90000108.2I239 V290 A291 Y391 E395 A398I239-V393 HydrophobicContact CD1-CG1 3.91Å; I239-V393 HydrophobicContact CG1-CG1 3.41Å; I239-V393 VanDerWaalsContact CG1-CG1 3.41Å; V290-V393 HydrophobicContact CG1-CG2 4.31Å; A291-V393 HydrophobicContact CB-CB 4.46Å; A291-V393 HydrophobicContact CB-CG2 4.19Å; Y391-V393 HydrophobicContact CD1-CG2 4.34Å; Y391-V393 HydrophobicContact CE1-CG2 3.5Å; Y391-V393 VanDerWaalsContact CE1-CG2 3.5Å; V393-E395 PolarHBondContact O-N 3.48Å; V393-A398 HydrophobicContact CG1-CB 4.17Å
394D85.3Confident68.2Low101 Ų10188.6 Ų88.654%0.5446%0.462SS..  trans-64.1129.9172.2-178.7-79.2000110.6R396 A397 A398D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 3.11Å; D394-R396 WeakPolarHBondContact OD1-CA 3.4Å; D394-R396 WeakPolarHBondContact OD1-CB 3.49Å; D394-R396 PolarHBondContact OD1-N 2.68Å; D394-A397 HydrophobicContact CB-CB 3.94Å; D394-A397 PolarHBondContact O-N 2.85Å; D394-A397 PolarHBondContact OD1-N 3.13Å; D394-A398 PolarHBondContact O-N 3.41Å
395E85.6Confident68.9Low162 Ų16286.5 Ų86.576%0.75745%0.452SS*.Hα-helixtrans-61.9-38.3-175.3-71.4-176.1164.900112.7V393 A398 E399V393-E395 PolarHBondContact O-N 3.48Å; E395-A398 PolarHBondContact O-N 3.21Å; E395-E399 WeakPolarHBondContact O-CG 3.31Å; E395-E399 PolarHBondContact O-N 2.87Å
396R87.1Confident69.6Low195 Ų19585.2 Ų85.274%0.73644%0.435SS*.Hα-helixtrans-69.7-39.7178.9-61.2178.6177.1176.20110.8D394 A398 E399 Q400D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 3.11Å; D394-R396 WeakPolarHBondContact OD1-CA 3.4Å; D394-R396 WeakPolarHBondContact OD1-CB 3.49Å; D394-R396 PolarHBondContact OD1-N 2.68Å; R396-A398 VanDerWaalsContact C-N 3.31Å; R396-A398 PolarHBondContact O-N 2.87Å; R396-E399 PolarHBondContact O-N 2.89Å; R396-Q400 WeakPolarHBondContact O-CG 3.18Å; R396-Q400 PolarHBondContact O-N 3.47Å
397A87.4Confident70.3Confident7 Ų785.7 Ų85.76%0.05844%0.442CS..Hα-helixtrans-61.5-41.217400000111.4T242 D394 Q400 A401T242-A397 HydrophobicContact CG2-CB 3.93Å; D394-A397 HydrophobicContact CB-CB 3.94Å; D394-A397 PolarHBondContact O-N 2.85Å; D394-A397 PolarHBondContact OD1-N 3.13Å; A397-Q400 PolarHBondContact O-N 3.07Å; A397-A401 WeakPolarHBondContact O-CB 3.01Å; A397-A401 PolarHBondContact O-N 2.88Å
398A87.5Confident70.9Confident14 Ų1488.1 Ų88.112%0.11644%0.441CS..Hα-helixtrans-64.4-38.4175.900000112.7I239 H257 V393 D394 E395 R396I239-A398 HydrophobicContact CD1-CB 4.02Å; I239-A398 HydrophobicContact CG1-CB 4.35Å; H257-A398 PolarHBondContact CD2-O 3.01Å; H257-A398 VanDerWaalsContact CD2-O 3.25Å; H257-A398 PolarHBondContact NE2-O 2.93Å; V393-A398 HydrophobicContact CG1-CB 4.17Å; D394-A398 PolarHBondContact O-N 3.41Å; E395-A398 PolarHBondContact O-N 3.21Å; R396-A398 VanDerWaalsContact C-N 3.31Å; R396-A398 PolarHBondContact O-N 2.87Å
399E86.6Confident71Confident113 Ų11392.1 Ų92.153%0.52845%0.454SS..Hα-helixtrans-64.8-42.6175.3-74.6178.9166.400113.2E395 R396 R402E395-E399 WeakPolarHBondContact O-CG 3.31Å; E395-E399 PolarHBondContact O-N 2.87Å; R396-E399 PolarHBondContact O-N 2.89Å; E399-R402 WeakPolarHBondContact O-CG 3.49Å
400Q86.4Confident71.1Confident118 Ų11890.7 Ų90.755%0.55145%0.454SS*.Hα-helixtrans-71.8-32.2179-68.9177.5-8.900112.5R396 A397 R402R396-Q400 WeakPolarHBondContact O-CG 3.18Å; R396-Q400 PolarHBondContact O-N 3.47Å; A397-Q400 PolarHBondContact O-N 3.07Å; Q400-R402 PolarHBondContact O-N 2.88Å; Q400-R402 VanDerWaalsContact O-N 3.09Å
401A89.3Confident71Confident0 Ų093.3 Ų93.30%046%0.457CS..THydrogen-bonded Turntrans-80.924.5-176.800000114.4T237 I239 H257 V258 A397T237-A401 WeakPolarHBondContact O-CA 3.49Å; T237-A401 VanDerWaalsContact O-CB 3.31Å; T237-A401 WeakPolarHBondContact O-CB 3.32Å; I239-A401 HydrophobicContact CB-CB 3.63Å; I239-A401 HydrophobicContact CG1-CB 4.26Å; H257-A401 CarbonylContact C-O 3.53Å; H257-A401 WeakPolarHBondContact CA-O 3.3Å; V258-A401 WeakPolarHBondContact CB-O 3.45Å; V258-A401 WeakPolarHBondContact CG2-O 3.2Å; V258-A401 PolarHBondContact N-O 3.32Å; A397-A401 WeakPolarHBondContact O-CB 3.01Å; A397-A401 PolarHBondContact O-N 2.88Å
402R89.3Confident70.2Confident93 Ų9399.5 Ų99.535%0.35149%0.485SS..BIsolated β-bridgetrans-90.9123-179.8-64.4-178.9-175.4163.34.3111.4S255 E399 Q400 E404 A405S255-R402 WeakPolarHBondContact O-CB 3.26Å; E399-R402 WeakPolarHBondContact O-CG 3.49Å; Q400-R402 PolarHBondContact O-N 2.88Å; Q400-R402 VanDerWaalsContact O-N 3.09Å; R402-E404 VanDerWaalsContact C-N 3.31Å; R402-E404 PolarHBondContact O-N 3.43Å; R402-A405 HydrophobicContact CB-CB 4Å
403W83Confident69.7Low2 Ų297.2 Ų97.21%0.00848%0.481CS..THydrogen-bonded Turntrans-62.3-33.8-177.7-172.6-114.4000114.1A230 R234 I236 V248 V250 R256 V258A230-W403 HydrophobicContact CB-CH2 3.91Å; A230-W403 HydrophobicContact CB-CZ2 3.95Å; R234-W403 VanDerWaalsContact CZ-CE2 3.44Å; R234-W403 VanDerWaalsContact CZ-NE1 3.33Å; R234-W403 PolarHBondContact NH1-O 2.94Å; I236-W403 HydrophobicContact CG1-CE3 4.22Å; V248-W403 HydrophobicContact CG2-CZ3 4.14Å; V250-W403 HydrophobicContact CG1-CB 3.85Å; V250-W403 HydrophobicContact CG1-CG 3.99Å; V250-W403 HydrophobicContact CG2-CD2 3.94Å; V250-W403 HydrophobicContact CG2-CE3 3.99Å; V250-W403 HydrophobicContact CG2-CG 4.25Å; V250-W403 HydrophobicContact CG2-CZ3 4.46Å; R256-W403 HydrophobicContact CB-CB 3.88Å; R256-W403 WeakPolarHBondContact O-CB 3.4Å; R256-W403 PolarHBondContact O-N 2.8Å; V258-W403 HydrophobicContact CG2-CB 3.95Å; V258-W403 HydrophobicContact CG2-CE3 3.81Å
404E69.8Low69.2Low107 Ų10799.6 Ų99.650%0.550%0.496SS..THydrogen-bonded Turntrans-99.5-3.9-170.4-69.3-179.4173.800114.7R256 R402 A406R256-E404 WeakPolarHBondContact CD-OE1 3.3Å; R256-E404 IonicContact CZ-OE1 2.91Å; R256-E404 IonicContact NE-OE1 3.93Å; R256-E404 IonicContact NH1-OE1 2.67Å; R256-E404 PolarHBondContact NH1-OE1 3.44Å; R402-E404 VanDerWaalsContact C-N 3.31Å; R402-E404 PolarHBondContact O-N 3.43Å; E404-A406 PolarHBondContact O-N 2.91Å; E404-A406 VanDerWaalsContact O-N 3.16Å
405A56.1Low68.8Low72 Ų7298 Ų9860%0.59549%0.49SS*.  trans-69.8-12.5-176.100000114R402 S407R402-A405 HydrophobicContact CB-CB 4Å; A405-S407 PolarHBondContact O-N 3.48Å
406A50.9Low68.8Low38 Ų3892.7 Ų92.731%0.31446%0.464SS..  trans-78.139.6177.800000113.9E404 K408 T410E404-A406 PolarHBondContact O-N 2.91Å; E404-A406 VanDerWaalsContact O-N 3.16Å; A406-K408 VanDerWaalsContact C-N 3.26Å; A406-K408 PolarHBondContact O-N 2.71Å; A406-T410 PolarHBondContact O-OG1 3.43Å
407S49Very low68.8Low90 Ų9087.1 Ų87.163%0.62945%0.453SS*.THydrogen-bonded Turntrans-76.33-172.3-1610000114.9A405 I411A405-S407 PolarHBondContact O-N 3.48Å; S407-I411 WeakPolarHBondContact O-CD1 2.99Å
408K44.8Very low68.9Low192 Ų19286.8 Ų86.884%0.83545%0.45SS*.THydrogen-bonded Turntrans-117.3-28.9-177.2-76.6-177.4177.4177.40116.6A406A406-K408 VanDerWaalsContact C-N 3.26Å; A406-K408 PolarHBondContact O-N 2.71Å
409E42.8Very low69.1Low162 Ų16288.7 Ų88.776%0.75746%0.461SS*.THydrogen-bonded Turntrans-93.6-29.6178.9-81.5-178143.300113.7I411 K412E409-I411 PolarHBondContact O-N 3.46Å; E409-K412 WeakPolarHBondContact O-CB 3.42Å; E409-K412 PolarHBondContact O-N 2.91Å; E409-K412 VanDerWaalsContact O-N 3.14Å
410T47.6Very low69.3Low103 Ų10390.3 Ų90.363%0.63246%0.463SS*.THydrogen-bonded Turntrans-73.4-7.4-177.4-28.70000113.9A406 K412A406-T410 PolarHBondContact O-OG1 3.43Å; T410-K412 PolarHBondContact O-N 2.86Å
411I48.6Very low69.6Low121 Ų12186.9 Ų86.962%0.62145%0.451SS*.THydrogen-bonded Turntrans-66.9-11.9169.4-61.8174.5000111S407 E409 K413S407-I411 WeakPolarHBondContact O-CD1 2.99Å; E409-I411 PolarHBondContact O-N 3.46Å; I411-K413 PolarHBondContact O-N 2.9Å; I411-K413 VanDerWaalsContact O-N 3.16Å
412K48.2Very low69.6Low169 Ų16993.2 Ų93.274%0.73548%0.481SS*.SBendtrans-88.583.1178.6-70.1178.7178.8173.10112.6E409 T410E409-K412 WeakPolarHBondContact O-CB 3.42Å; E409-K412 PolarHBondContact O-N 2.91Å; E409-K412 VanDerWaalsContact O-N 3.14Å; T410-K412 PolarHBondContact O-N 2.86Å
413K59Low69.6Low157 Ų15790.8 Ų90.868%0.68348%0.476SS*.  trans159.368.4141.4-84.9162.9-168.1179.90107.4I411 W447I411-K413 PolarHBondContact O-N 2.9Å; I411-K413 VanDerWaalsContact O-N 3.16Å; K413-W447 VanDerWaalsContact O-CZ2 3.26Å; K413-W447 WeakPolarHBondContact O-CZ2 3.34Å
414T68.9Low69.8Low76 Ų7695 Ų9547%0.46650%0.503SS..SBendtrans-71-23.2170.245.80000111.4E426 K427 W447T414-E426 CarbonylContact O-C 3.53Å; T414-E426 VanDerWaalsContact O-CA 3.31Å; T414-E426 WeakPolarHBondContact O-CA 3.32Å; T414-K427 PolarHBondContact O-N 2.78Å; T414-W447 WeakPolarHBondContact O-CH2 3.17Å
415T76.5Confident70.6Confident68 Ų6890.4 Ų90.442%0.41748%0.483SS..EExtended strand (participates in β ladder)trans-126.7136.9-175.1-18.20000111.7P424 V425 E426T415-P424 HydrophobicContact CG2-CB 3.68Å; T415-V425 WeakPolarHBondContact CA-O 3.45Å; T415-V425 WeakPolarHBondContact CG2-O 3.42Å; T415-E426 HydrophobicContact CG2-CB 4.46Å
416K85.6Confident72Confident50 Ų5092.4 Ų92.422%0.21748%0.48CS..EExtended strand (participates in β ladder)trans-133.1145.7170.9-79.4-178.5-176.7169.80110.1V425 W445 W447K416-V425 PolarHBondContact N-O 3.19Å; K416-V425 PolarHBondContact O-N 2.84Å; K416-W445 HydrophobicContact CB-CH2 3.9Å; K416-W445 HydrophobicContact CD-CH2 4.41Å; K416-W447 HydrophobicContact CB-CE3 4.2Å; K416-W447 HydrophobicContact CB-CH2 3.62Å; K416-W447 HydrophobicContact CB-CZ2 4.14Å; K416-W447 HydrophobicContact CB-CZ3 3.64Å; K416-W447 HydrophobicContact CD-CD2 3.78Å; K416-W447 HydrophobicContact CD-CE3 4.06Å; K416-W447 HydrophobicContact CD-CG 4.42Å; K416-W447 HydrophobicContact CD-CH2 3.95Å; K416-W447 HydrophobicContact CD-CZ2 3.6Å; K416-W447 HydrophobicContact CD-CZ3 4.15Å; K416-W447 HydrophobicContact CG-CD2 4.48Å; K416-W447 HydrophobicContact CG-CE3 4.42Å; K416-W447 HydrophobicContact CG-CH2 3.57Å; K416-W447 HydrophobicContact CG-CZ2 3.56Å; K416-W447 HydrophobicContact CG-CZ3 4.01Å; K416-W447 PolarHBondContact NZ-O 3.35Å
417P88.3Confident73.6Confident77 Ų7792.8 Ų92.850%0.547%0.474SS..EExtended strand (participates in β ladder)trans-69.3141.5176.129.5-34000110.8H422P417-H422 HydrophobicContact CB-CB 4.49Å; P417-H422 WeakPolarHBondContact CB-O 3.41Å
418C89.4Confident74.7Confident0 Ų095 Ų950%048%0.479CS..  trans-57.1131.7170.5176.90000110.1R420 C421 H422 V423 V425C418-R420 PolarHBondContact O-N 3.16Å; C418-C421 WeakPolarHBondContact CB-SG 3.19Å; C418-H422 WeakPolarHBondContact O-CA 3.37Å; C418-H422 PolarHBondContact O-N 3.01Å; C418-V423 WeakPolarHBondContact CB-O 3.36Å; C418-V423 PolarHBondContact N-O 3Å; C418-V425 HydrophobicContact CB-CG2 4.46Å
419P92.3Very high76.3Confident54 Ų5488.5 Ų88.535%0.35147%0.466SS..THydrogen-bonded Turntrans-59.2-22180-26.834.5000115L443 W445 G450P419-L443 HydrophobicContact CB-CD2 4.33Å; P419-W445 VanDerWaalsContact CD-CD2 3.47Å; P419-W445 HydrophobicContact CG-CB 4.27Å; P419-W445 HydrophobicContact CG-CD2 3.81Å; P419-W445 HydrophobicContact CG-CE3 3.7Å; P419-W445 HydrophobicContact CG-CG 4.06Å; P419-W445 HydrophobicContact CG-CZ3 4.36Å; P419-G450 WeakPolarHBondContact CB-O 3.49Å; P419-G450 WeakPolarHBondContact CG-O 3.07Å
420R90.3Very high78.2Confident148 Ų14881.7 Ų81.756%0.55844%0.439SS*.THydrogen-bonded Turntrans-101.7-48.8-178-177.7-176.9-65.6177-1.7113.6C418 L443C418-R420 PolarHBondContact O-N 3.16Å; R420-L443 HydrophobicContact CB-CD2 3.75Å
421C92.1Very high80.1Confident45 Ų4577.7 Ų77.730%0.30442%0.415SS..THydrogen-bonded Turntrans-108.5-0.6-174.369.90000114.1C418 V423 C436 C441C418-C421 WeakPolarHBondContact CB-SG 3.19Å; C421-V423 PolarHBondContact O-N 3.33Å; C421-C436 PolarHBondContact SG-SG 2.91Å; C421-C441 HydrophobicContact CB-CB 4.09Å
422H89.2Confident81.9Confident134 Ų13471.9 Ų71.962%0.6239%0.386SS*.  trans58.22.3179.8-54.1-61.8000116.7P417 C418P417-H422 HydrophobicContact CB-CB 4.49Å; P417-H422 WeakPolarHBondContact CB-O 3.41Å; C418-H422 WeakPolarHBondContact O-CA 3.37Å; C418-H422 PolarHBondContact O-N 3.01Å
423V88.8Confident83.9Confident42 Ų4266.6 Ų66.626%0.25536%0.364SS..  trans-61.5130.3172.8174.10000109.3C418 C421 V425 Q438C418-V423 WeakPolarHBondContact CB-O 3.36Å; C418-V423 PolarHBondContact N-O 3Å; C421-V423 PolarHBondContact O-N 3.33Å; V423-V425 PolarHBondContact O-N 2.96Å; V423-Q438 HydrophobicContact CB-CG 4.06Å; V423-Q438 HydrophobicContact CG1-CG 4.02Å; V423-Q438 HydrophobicContact CG2-CG 3.77Å
424P87.8Confident85.4Confident89 Ų8959.8 Ų59.858%0.57833%0.334SS*.EExtended strand (participates in β ladder)trans-64.3129.4178.625.6-33.6000110.6T415T415-P424 HydrophobicContact CG2-CB 3.68Å
425V86.9Confident86.4Confident12 Ų1262 Ų627%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-118.6131175.5-174.60000108.5T415 K416 C418 V423 M434 W445T415-V425 WeakPolarHBondContact CA-O 3.45Å; T415-V425 WeakPolarHBondContact CG2-O 3.42Å; K416-V425 PolarHBondContact N-O 3.19Å; K416-V425 PolarHBondContact O-N 2.84Å; C418-V425 HydrophobicContact CB-CG2 4.46Å; V423-V425 PolarHBondContact O-N 2.96Å; V425-M434 HydrophobicContact CG1-CE 3.67Å; V425-W445 HydrophobicContact CB-CZ2 4.45Å
426E85.6Confident87.1Confident114 Ų11459 Ų5953%0.53332%0.319SS..EExtended strand (participates in β ladder)trans-86.2140.1177-172.9171-166.100111.3T414 T415 M434T414-E426 CarbonylContact O-C 3.53Å; T414-E426 VanDerWaalsContact O-CA 3.31Å; T414-E426 WeakPolarHBondContact O-CA 3.32Å; T415-E426 HydrophobicContact CG2-CB 4.46Å; E426-M434 WeakPolarHBondContact O-CE 3.45Å
427K83.4Confident87.3Confident46 Ų4661 Ų6120%0.234%0.338CS..  trans-88.3109.8175.8179.7179.4161.4-169.40110.2T414 G429 M432 M434 W447T414-K427 PolarHBondContact O-N 2.78Å; K427-G429 WeakPolarHBondContact CE-O 3.5Å; K427-M432 HydrophobicContact CD-CE 4.37Å; K427-M434 HydrophobicContact CB-CE 4.37Å; K427-M434 HydrophobicContact CG-SD 4.41Å; K427-W447 HydrophobicContact CB-CD2 4.16Å; K427-W447 HydrophobicContact CB-CE3 3.97Å; K427-W447 HydrophobicContact CB-CH2 3.71Å; K427-W447 HydrophobicContact CB-CZ2 3.94Å; K427-W447 HydrophobicContact CB-CZ3 3.73Å; K427-W447 HydrophobicContact CD-CD2 3.85Å; K427-W447 HydrophobicContact CD-CE3 4.46Å; K427-W447 HydrophobicContact CD-CG 3.98Å; K427-W447 HydrophobicContact CD-CZ2 4.25Å; K427-W447 HydrophobicContact CG-CD2 4.4Å
428N73.3Confident87.4Confident137 Ų13761.4 Ų61.473%0.73333%0.332SS*.  trans-93.6102174.8-66-24.5000110
429G78.3Confident87.5Confident54 Ų5465.3 Ų65.356%0.55736%0.358SS*.SBendtrans86.6-161176.400000114.9K427K427-G429 WeakPolarHBondContact CE-O 3.5Å
430G82.8Confident87.4Confident19 Ų1972.2 Ų72.220%0.19639%0.385CS..SBendtrans-87.4-5.8-173.600000115.9S181 M432 F463 D464S181-G430 WeakPolarHBondContact O-CA 3.3Å; G430-M432 WeakPolarHBondContact O-CE 3.37Å; G430-F463 CarbonylContact O-C 3.52Å; G430-F463 WeakPolarHBondContact O-CA 3.4Å; G430-F463 VanDerWaalsContact O-CB 3.32Å; G430-F463 WeakPolarHBondContact O-CB 3.23Å; G430-D464 PolarHBondContact O-N 3.29Å
431C86.1Confident87.5Confident19 Ų1966 Ų6613%0.12837%0.365CS..BIsolated β-bridgetrans-74137-176.8-1740000112.3H433C431-H433 PolarHBondContact SG-N 3.4Å; C431-H433 VanDerWaalsContact SG-N 3.43Å
432M87.3Confident87.4Confident0 Ų072 Ų720%038%0.381CS..  trans-89.3-11177.1-65.5-50.892.900113.7K427 G430 M434 C446 W447 W453 H461 W462 D464K427-M432 HydrophobicContact CD-CE 4.37Å; G430-M432 WeakPolarHBondContact O-CE 3.37Å; M432-M434 PolarHBondContact O-N 2.81Å; M432-C446 WeakPolarHBondContact O-CA 3.05Å; M432-W447 PolarHBondContact O-N 2.73Å; M432-W447 HydrophobicContact SD-CB 3.95Å; M432-W447 HydrophobicContact SD-CG 4.4Å; M432-W453 HydrophobicContact CB-CZ3 4.26Å; M432-H461 WeakPolarHBondContact CB-O 3.39Å; M432-H461 WeakPolarHBondContact CG-O 3.45Å; M432-W462 WeakPolarHBondContact CB-O 3.32Å; M432-W462 PolarHBondContact N-O 2.87Å; M432-D464 HydrophobicContact CE-CB 3.63Å; M432-D464 HydrophobicContact SD-CB 4.42Å
433H89.6Confident87.6Confident58 Ų5866.1 Ų66.127%0.26935%0.354SS..EExtended strand (participates in β ladder)trans-81.4103.8179.2-177.3-162.6000109.9C431 E444 W453C431-H433 PolarHBondContact SG-N 3.4Å; C431-H433 VanDerWaalsContact SG-N 3.43Å; H433-E444 IonicContact CE1-OE2 3.39Å; H433-E444 PolarHBondContact CE1-OE2 2.88Å; H433-E444 IonicContact NE2-OE2 2.87Å; H433-E444 PolarHBondContact NE2-OE2 2.88Å; H433-W453 HydrophobicContact CB-CD2 4.05Å; H433-W453 HydrophobicContact CB-CE3 4.1Å; H433-W453 HydrophobicContact CB-CH2 3.82Å; H433-W453 HydrophobicContact CB-CZ2 3.75Å; H433-W453 HydrophobicContact CB-CZ3 3.99Å; H433-W453 AromaticContact CD2-CD1 3.65Å; H433-W453 AromaticContact CD2-CD2 3.57Å; H433-W453 AromaticContact CD2-CE2 3.86Å; H433-W453 AromaticContact CD2-CG 3.48Å; H433-W453 VanDerWaalsContact CD2-CG 3.48Å; H433-W453 AromaticContact CD2-NE1 3.85Å; H433-W453 AromaticContact CE1-CD1 3.94Å; H433-W453 AromaticContact CE1-NE1 3.93Å; H433-W453 AromaticContact CG-CD2 3.83Å; H433-W453 AromaticContact CG-CE2 3.69Å; H433-W453 AromaticContact CG-NE1 3.83Å; H433-W453 AromaticContact ND1-NE1 3.89Å; H433-W453 AromaticContact NE2-CD1 3.53Å; H433-W453 AromaticContact NE2-CG 3.75Å; H433-W453 AromaticContact NE2-NE1 3.9Å
434M90.6Very high87.7Confident14 Ų1467.4 Ų67.47%0.06936%0.357CS..EExtended strand (participates in β ladder)trans-101142.6-178.5-56.8-57.9-5900110.6V425 E426 K427 M432 E444 W445 W447V425-M434 HydrophobicContact CG1-CE 3.67Å; E426-M434 WeakPolarHBondContact O-CE 3.45Å; K427-M434 HydrophobicContact CB-CE 4.37Å; K427-M434 HydrophobicContact CG-SD 4.41Å; M432-M434 PolarHBondContact O-N 2.81Å; M434-E444 CarbonylContact O-C 3.52Å; M434-E444 VanDerWaalsContact O-CA 3.26Å; M434-E444 WeakPolarHBondContact O-CA 3.47Å; M434-W445 HydrophobicContact CB-CD2 3.95Å; M434-W445 HydrophobicContact CB-CG 4.17Å; M434-W445 HydrophobicContact CB-CZ2 3.9Å; M434-W445 WeakPolarHBondContact CB-O 3.43Å; M434-W445 HydrophobicContact CG-CD2 4.41Å; M434-W445 HydrophobicContact CG-CH2 4.29Å; M434-W445 HydrophobicContact CG-CZ2 4Å; M434-W445 PolarHBondContact N-O 2.9Å; M434-W445 PolarHBondContact O-N 2.87Å; M434-W447 HydrophobicContact CE-CE3 3.89Å; M434-W447 HydrophobicContact CE-CZ3 4.03Å; M434-W447 HydrophobicContact CG-CB 3.9Å; M434-W447 HydrophobicContact CG-CE3 3.87Å; M434-W447 HydrophobicContact SD-CB 4.34Å; M434-W447 HydrophobicContact SD-CD2 4.49Å; M434-W447 HydrophobicContact SD-CE3 3.8Å
435K90.6Very high88Confident123 Ų12363.3 Ų63.354%0.53533%0.33SS..EExtended strand (participates in β ladder)trans-122.7127.1172.6-171.9166.3-171.2145.40110.3E444K435-E444 HydrophobicContact CB-CG 4.44Å; K435-E444 HydrophobicContact CD-CG 4.31Å; K435-E444 HydrophobicContact CG-CG 4.11Å; K435-E444 IonicContact NZ-OE1 2.88Å; K435-E444 PolarHBondContact NZ-OE1 3.43Å
436C91.2Very high88.2Confident3 Ų362.8 Ų62.82%0.0233%0.327CS..  trans-68125.1178-173.40000110.2C421 Q438 C441 L443C421-C436 PolarHBondContact SG-SG 2.91Å; C436-Q438 PolarHBondContact O-N 3.39Å; C436-C441 HydrophobicContact CB-CB 4.39Å; C436-L443 HydrophobicContact CB-CB 4.44Å; C436-L443 PolarHBondContact N-O 3.4Å
437P89.6Confident88.3Confident94 Ų9458 Ų5861%0.6130%0.304SS*.  trans-72.6-16.2-17929.7-35.4000112.8
438Q90.4Very high88.5Confident84 Ų8458.6 Ų58.639%0.39331%0.31SS..  trans-66.5122.5-179.7-71.7-65.3-25.800110.9V423 C436 Q440 C441 R442V423-Q438 HydrophobicContact CB-CG 4.06Å; V423-Q438 HydrophobicContact CG1-CG 4.02Å; V423-Q438 HydrophobicContact CG2-CG 3.77Å; C436-Q438 PolarHBondContact O-N 3.39Å; Q438-Q440 PolarHBondContact O-N 2.88Å; Q438-C441 HydrophobicContact CB-CB 4.05Å; Q438-C441 PolarHBondContact O-N 3.29Å; Q438-R442 PolarHBondContact O-N 3.1Å
439P90.4Very high89.2Confident82 Ų8254.3 Ų54.353%0.53229%0.29SS..THydrogen-bonded Turntrans-64.9-26.6-172.924.7-33.8000113.1R442P439-R442 WeakPolarHBondContact O-CG 3.41Å; P439-R442 PolarHBondContact O-NE 2.81Å
440Q91.2Very high89.6Confident199 Ų19953.5 Ų53.593%0.9328%0.281SS*.THydrogen-bonded Turntrans-81.5-19.1176.5-61.1-169.9-0.200113.4Q438Q438-Q440 PolarHBondContact O-N 2.88Å
441C91.9Very high89.9Confident18 Ų1854.4 Ų54.412%0.12228%0.284CS..THydrogen-bonded Turntrans-100.4-56.6-178.2-175.90000112.2C421 C436 Q438 L443C421-C441 HydrophobicContact CB-CB 4.09Å; C436-C441 HydrophobicContact CB-CB 4.39Å; Q438-C441 HydrophobicContact CB-CB 4.05Å; Q438-C441 PolarHBondContact O-N 3.29Å; C441-L443 PolarHBondContact O-N 3.32Å
442R90.6Very high90.2Very high170 Ų17059.5 Ų59.564%0.64231%0.306SS*.  trans43.724.6-177.7-62.3-179.9-179.9-173.9-0.9115.8Q438 P439 E444Q438-R442 PolarHBondContact O-N 3.1Å; P439-R442 WeakPolarHBondContact O-CG 3.41Å; P439-R442 PolarHBondContact O-NE 2.81Å; R442-E444 PolarHBondContact O-N 3.12Å
443L92.4Very high90.4Very high12 Ų1261.1 Ų61.16%0.06331%0.312CS..  trans-65.6132.7-177.917566.1000109.8P419 R420 C436 C441 W445 E452P419-L443 HydrophobicContact CB-CD2 4.33Å; R420-L443 HydrophobicContact CB-CD2 3.75Å; C436-L443 HydrophobicContact CB-CB 4.44Å; C436-L443 PolarHBondContact N-O 3.4Å; C441-L443 PolarHBondContact O-N 3.32Å; L443-W445 HydrophobicContact CD2-CB 4.22Å; L443-W445 HydrophobicContact CG-CB 4.2Å; L443-E452 HydrophobicContact CD1-CG 4.15Å
444E92.7Very high90.4Very high68 Ų6861.1 Ų61.132%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-97.7124168.3-62.4-171.9-172.800109.1H433 M434 K435 R442 W453H433-E444 IonicContact CE1-OE2 3.39Å; H433-E444 PolarHBondContact CE1-OE2 2.88Å; H433-E444 IonicContact NE2-OE2 2.87Å; H433-E444 PolarHBondContact NE2-OE2 2.88Å; M434-E444 CarbonylContact O-C 3.52Å; M434-E444 VanDerWaalsContact O-CA 3.26Å; M434-E444 WeakPolarHBondContact O-CA 3.47Å; K435-E444 HydrophobicContact CB-CG 4.44Å; K435-E444 HydrophobicContact CD-CG 4.31Å; K435-E444 HydrophobicContact CG-CG 4.11Å; K435-E444 IonicContact NZ-OE1 2.88Å; K435-E444 PolarHBondContact NZ-OE1 3.43Å; R442-E444 PolarHBondContact O-N 3.12Å; E444-W453 HydrophobicContact CB-CB 4.08Å; E444-W453 PolarHBondContact O-N 3.21Å
445W92.8Very high90.1Very high4 Ų470 Ų702%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-145.4158.3-170.364.7-77.9000112.2K416 P419 V425 M434 L443 W447 C451K416-W445 HydrophobicContact CB-CH2 3.9Å; K416-W445 HydrophobicContact CD-CH2 4.41Å; P419-W445 VanDerWaalsContact CD-CD2 3.47Å; P419-W445 HydrophobicContact CG-CB 4.27Å; P419-W445 HydrophobicContact CG-CD2 3.81Å; P419-W445 HydrophobicContact CG-CE3 3.7Å; P419-W445 HydrophobicContact CG-CG 4.06Å; P419-W445 HydrophobicContact CG-CZ3 4.36Å; V425-W445 HydrophobicContact CB-CZ2 4.45Å; M434-W445 HydrophobicContact CB-CD2 3.95Å; M434-W445 HydrophobicContact CB-CG 4.17Å; M434-W445 HydrophobicContact CB-CZ2 3.9Å; M434-W445 WeakPolarHBondContact CB-O 3.43Å; M434-W445 HydrophobicContact CG-CD2 4.41Å; M434-W445 HydrophobicContact CG-CH2 4.29Å; M434-W445 HydrophobicContact CG-CZ2 4Å; M434-W445 PolarHBondContact N-O 2.9Å; M434-W445 PolarHBondContact O-N 2.87Å; L443-W445 HydrophobicContact CD2-CB 4.22Å; L443-W445 HydrophobicContact CG-CB 4.2Å; W445-W447 HydrophobicContact CH2-CD2 4.5Å; 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 4.27Å; W445-W447 HydrophobicContact CZ3-CE3 4.46Å; W445-C451 CarbonylContact C-O 3.52Å; W445-C451 VanDerWaalsContact CA-O 3.25Å; W445-C451 WeakPolarHBondContact CA-O 3.46Å; W445-C451 VanDerWaalsContact CB-O 3.3Å; W445-C451 WeakPolarHBondContact CB-O 3.47Å
446C91.4Very high89.9Confident0 Ų068.5 Ų68.50%035%0.348CS..EExtended strand (participates in β ladder)trans-87.8125178174.40000111.3M432 N448 C449 G450 C451 W453 C457 H461M432-C446 WeakPolarHBondContact O-CA 3.05Å; C446-N448 VanDerWaalsContact C-N 3.29Å; C446-N448 PolarHBondContact O-N 3.19Å; C446-C449 HydrophobicContact CB-CB 4.09Å; C446-C449 PolarHBondContact O-N 3.19Å; C446-C449 PolarHBondContact SG-N 3.2Å; C446-G450 WeakPolarHBondContact O-CA 3.23Å; C446-G450 PolarHBondContact O-N 2.94Å; C446-C451 PolarHBondContact N-O 3.36Å; C446-W453 HydrophobicContact CB-CE3 3.94Å; C446-W453 HydrophobicContact CB-CZ3 4.1Å; C446-C457 HydrophobicContact CB-CB 4.04Å; C446-H461 PolarHBondContact SG-NE2 2.91Å; C446-H461 VanDerWaalsContact SG-NE2 3.38Å
447W88.6Confident89.7Confident13 Ų1368.5 Ų68.55%0.04935%0.348CS..THydrogen-bonded Turntrans-54.4-41.5178.8-177.8-98.1000113.6K413 T414 K416 K427 M432 M434 W445K413-W447 VanDerWaalsContact O-CZ2 3.26Å; K413-W447 WeakPolarHBondContact O-CZ2 3.34Å; T414-W447 WeakPolarHBondContact O-CH2 3.17Å; K416-W447 HydrophobicContact CB-CE3 4.2Å; K416-W447 HydrophobicContact CB-CH2 3.62Å; K416-W447 HydrophobicContact CB-CZ2 4.14Å; K416-W447 HydrophobicContact CB-CZ3 3.64Å; K416-W447 HydrophobicContact CD-CD2 3.78Å; K416-W447 HydrophobicContact CD-CE3 4.06Å; K416-W447 HydrophobicContact CD-CG 4.42Å; K416-W447 HydrophobicContact CD-CH2 3.95Å; K416-W447 HydrophobicContact CD-CZ2 3.6Å; K416-W447 HydrophobicContact CD-CZ3 4.15Å; K416-W447 HydrophobicContact CG-CD2 4.48Å; K416-W447 HydrophobicContact CG-CE3 4.42Å; K416-W447 HydrophobicContact CG-CH2 3.57Å; K416-W447 HydrophobicContact CG-CZ2 3.56Å; K416-W447 HydrophobicContact CG-CZ3 4.01Å; K416-W447 PolarHBondContact NZ-O 3.35Å; K427-W447 HydrophobicContact CB-CD2 4.16Å; K427-W447 HydrophobicContact CB-CE3 3.97Å; K427-W447 HydrophobicContact CB-CH2 3.71Å; K427-W447 HydrophobicContact CB-CZ2 3.94Å; K427-W447 HydrophobicContact CB-CZ3 3.73Å; K427-W447 HydrophobicContact CD-CD2 3.85Å; K427-W447 HydrophobicContact CD-CE3 4.46Å; K427-W447 HydrophobicContact CD-CG 3.98Å; K427-W447 HydrophobicContact CD-CZ2 4.25Å; K427-W447 HydrophobicContact CG-CD2 4.4Å; M432-W447 PolarHBondContact O-N 2.73Å; M432-W447 HydrophobicContact SD-CB 3.95Å; M432-W447 HydrophobicContact SD-CG 4.4Å; M434-W447 HydrophobicContact CE-CE3 3.89Å; M434-W447 HydrophobicContact CE-CZ3 4.03Å; M434-W447 HydrophobicContact CG-CB 3.9Å; M434-W447 HydrophobicContact CG-CE3 3.87Å; M434-W447 HydrophobicContact SD-CB 4.34Å; M434-W447 HydrophobicContact SD-CD2 4.49Å; M434-W447 HydrophobicContact SD-CE3 3.8Å; W445-W447 HydrophobicContact CH2-CD2 4.5Å; 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 4.27Å; W445-W447 HydrophobicContact CZ3-CE3 4.46Å
448N85.9Confident89.5Confident60 Ų6066.2 Ų66.232%0.32133%0.33SS..THydrogen-bonded Turntrans-80-45.2-177.3-80.4-4.7000112.5Y143 C446Y143-N448 WeakPolarHBondContact CE1-ND2 3.4Å; C446-N448 VanDerWaalsContact C-N 3.29Å; C446-N448 PolarHBondContact O-N 3.19Å
449C88Confident89.1Confident47 Ų4762.2 Ų62.232%0.31831%0.311SS..THydrogen-bonded Turntrans-84-22.7-174.3-59.80000114.1C446 C451 H461C446-C449 HydrophobicContact CB-CB 4.09Å; C446-C449 PolarHBondContact O-N 3.19Å; C446-C449 PolarHBondContact SG-N 3.2Å; C449-C451 HydrophobicContact CB-CB 4.46Å; C449-C451 WeakPolarHBondContact CB-SG 3.46Å; C449-C451 PolarHBondContact O-N 2.89Å; C449-H461 PolarHBondContact SG-NE2 3.27Å; C449-H461 VanDerWaalsContact SG-NE2 3.4Å
450G87.4Confident88.9Confident36 Ų3659.2 Ų59.237%0.37129%0.29SS..  trans66.211.4-173.500000114.2P419 C446P419-G450 WeakPolarHBondContact CB-O 3.49Å; P419-G450 WeakPolarHBondContact CG-O 3.07Å; C446-G450 WeakPolarHBondContact O-CA 3.23Å; C446-G450 PolarHBondContact O-N 2.94Å
451C89.7Confident88.6Confident38 Ų3850.1 Ų50.126%0.25725%0.248SC..SBendtrans-101.8167.9177.367.90000111.5W445 C446 C449W445-C451 CarbonylContact C-O 3.52Å; W445-C451 VanDerWaalsContact CA-O 3.25Å; W445-C451 WeakPolarHBondContact CA-O 3.46Å; W445-C451 VanDerWaalsContact CB-O 3.3Å; W445-C451 WeakPolarHBondContact CB-O 3.47Å; C446-C451 PolarHBondContact N-O 3.36Å; C449-C451 HydrophobicContact CB-CB 4.46Å; C449-C451 WeakPolarHBondContact CB-SG 3.46Å; C449-C451 PolarHBondContact O-N 2.89Å
452E92.9Very high88.4Confident126 Ų12649.7 Ų49.759%0.58924%0.243SC*.BIsolated β-bridgetrans-56.8141.9172.4-171.6165.1-148.100111.5L443 N454L443-E452 HydrophobicContact CD1-CG 4.15Å; E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 PolarHBondContact O-ND2 2.96Å
453W91.4Very high88.1Confident35 Ų3541.6 Ų41.613%0.13321%0.213CC..PPolyproline II helixtrans-63.4130.6-175.8-174.9-113.3000110.8M432 H433 E444 C446 C457 M458 W462M432-W453 HydrophobicContact CB-CZ3 4.26Å; H433-W453 HydrophobicContact CB-CD2 4.05Å; H433-W453 HydrophobicContact CB-CE3 4.1Å; H433-W453 HydrophobicContact CB-CH2 3.82Å; H433-W453 HydrophobicContact CB-CZ2 3.75Å; H433-W453 HydrophobicContact CB-CZ3 3.99Å; H433-W453 AromaticContact CD2-CD1 3.65Å; H433-W453 AromaticContact CD2-CD2 3.57Å; H433-W453 AromaticContact CD2-CE2 3.86Å; H433-W453 AromaticContact CD2-CG 3.48Å; H433-W453 VanDerWaalsContact CD2-CG 3.48Å; H433-W453 AromaticContact CD2-NE1 3.85Å; H433-W453 AromaticContact CE1-CD1 3.94Å; H433-W453 AromaticContact CE1-NE1 3.93Å; H433-W453 AromaticContact CG-CD2 3.83Å; H433-W453 AromaticContact CG-CE2 3.69Å; H433-W453 AromaticContact CG-NE1 3.83Å; H433-W453 AromaticContact ND1-NE1 3.89Å; H433-W453 AromaticContact NE2-CD1 3.53Å; H433-W453 AromaticContact NE2-CG 3.75Å; H433-W453 AromaticContact NE2-NE1 3.9Å; E444-W453 HydrophobicContact CB-CB 4.08Å; E444-W453 PolarHBondContact O-N 3.21Å; C446-W453 HydrophobicContact CB-CE3 3.94Å; C446-W453 HydrophobicContact CB-CZ3 4.1Å; W453-C457 HydrophobicContact CE3-CB 4.08Å; W453-C457 HydrophobicContact CH2-CB 4.35Å; W453-C457 HydrophobicContact CZ3-CB 3.81Å; W453-M458 HydrophobicContact CH2-CB 4.37Å; W453-M458 HydrophobicContact CZ2-CB 3.71Å; W453-M458 HydrophobicContact CZ2-CE 4.45Å; W453-M458 HydrophobicContact CZ2-CG 4.18Å; W453-W462 AromaticContact CH2-CD1 3.97Å; W453-W462 HydrophobicContact CH2-CG 4.41Å; W453-W462 AromaticContact CZ2-CD1 3.94Å; W453-W462 HydrophobicContact CZ2-CG 4.38Å; W453-W462 AromaticContact CZ2-NE1 3.8Å
454N88.6Confident87.6Confident57 Ų5743.7 Ų43.731%0.30522%0.224SC..  trans-147.7167.9-173.163.965.7000111.5E452 V456 C457 M458E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 PolarHBondContact O-ND2 2.96Å; N454-V456 PolarHBondContact O-N 3.08Å; N454-V456 WeakPolarHBondContact OD1-CA 3.34Å; N454-V456 VanDerWaalsContact OD1-CB 3.24Å; N454-V456 WeakPolarHBondContact OD1-CB 3.36Å; N454-V456 PolarHBondContact OD1-N 3.39Å; N454-C457 PolarHBondContact O-N 3.41Å; N454-C457 PolarHBondContact OD1-N 2.9Å; N454-M458 WeakPolarHBondContact O-CB 3.49Å; N454-M458 PolarHBondContact O-N 2.9Å
455R84.5Confident86.6Confident200 Ų20042.3 Ų42.376%0.75522%0.22SC*.Hα-helixtrans-65.7-19.2-177.6-67-173.7177.5-125.4-0.1114.2G459R455-G459 PolarHBondContact O-N 3.24Å; R455-G459 VanDerWaalsContact O-N 3.16Å
456V85.9Confident86.3Confident92 Ų9244.2 Ų44.256%0.55823%0.231SC*.Hα-helixtrans-74.7-53.7175.8-177.10000109N454 M458 G459 D460N454-V456 PolarHBondContact O-N 3.08Å; N454-V456 WeakPolarHBondContact OD1-CA 3.34Å; N454-V456 VanDerWaalsContact OD1-CB 3.24Å; N454-V456 WeakPolarHBondContact OD1-CB 3.36Å; N454-V456 PolarHBondContact OD1-N 3.39Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 3.45Å; V456-G459 PolarHBondContact O-N 2.85Å; V456-D460 VanDerWaalsContact CG1-OD2 3.29Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.4Å; V456-D460 PolarHBondContact O-N 2.86Å
457C87.3Confident86Confident4 Ų446.5 Ų46.53%0.02724%0.243CC..Hα-helixtrans-57.8-42.8175.2-65.20000112.4C446 W453 N454 G459 H461 W462C446-C457 HydrophobicContact CB-CB 4.04Å; W453-C457 HydrophobicContact CE3-CB 4.08Å; W453-C457 HydrophobicContact CH2-CB 4.35Å; W453-C457 HydrophobicContact CZ3-CB 3.81Å; N454-C457 PolarHBondContact O-N 3.41Å; N454-C457 PolarHBondContact OD1-N 2.9Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.32Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 VanDerWaalsContact O-C 3.24Å; C457-H461 PolarHBondContact O-N 3.25Å; C457-W462 PolarHBondContact O-N 3.17Å
458M86Confident85.9Confident46 Ų4648.4 Ų48.423%0.22725%0.253CS..Hα-helixtrans-58.6-38.6174.8-177.8-172.8-74.700112.5W453 N454 V456 W462W453-M458 HydrophobicContact CH2-CB 4.37Å; W453-M458 HydrophobicContact CZ2-CB 3.71Å; W453-M458 HydrophobicContact CZ2-CE 4.45Å; W453-M458 HydrophobicContact CZ2-CG 4.18Å; N454-M458 WeakPolarHBondContact O-CB 3.49Å; N454-M458 PolarHBondContact O-N 2.9Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 3.45Å; M458-W462 HydrophobicContact CB-CE3 4.44Å; M458-W462 HydrophobicContact CE-CH2 3.99Å; M458-W462 HydrophobicContact CE-CZ2 4.05Å; M458-W462 HydrophobicContact CG-CD2 3.61Å; M458-W462 HydrophobicContact CG-CE3 3.26Å; M458-W462 HydrophobicContact CG-CG 4.46Å; M458-W462 HydrophobicContact CG-CH2 3.67Å; M458-W462 HydrophobicContact CG-CZ2 3.98Å; M458-W462 HydrophobicContact CG-CZ3 3.29Å; M458-W462 WeakPolarHBondContact O-CB 3.17Å; M458-W462 HydrophobicContact SD-CE3 4.29Å; M458-W462 HydrophobicContact SD-CH2 3.69Å; M458-W462 HydrophobicContact SD-CZ2 4.27Å; M458-W462 HydrophobicContact SD-CZ3 3.7Å
459G82.6Confident85.9Confident0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-75.6-48.1-179.800000113.5F146 K161 L162 R455 V456 C457F146-G459 WeakPolarHBondContact CD2-O 3.14Å; K161-G459 WeakPolarHBondContact CA-O 3.49Å; L162-G459 PolarHBondContact N-O 3.29Å; R455-G459 PolarHBondContact O-N 3.24Å; R455-G459 VanDerWaalsContact O-N 3.16Å; V456-G459 PolarHBondContact O-N 2.85Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.32Å
460D85.8Confident85.7Confident18 Ų1847.8 Ų47.810%0.09625%0.245CC..Hα-helixtrans-85.7-32.5-165.8-61.6-11.3000111.5S145 V456S145-D460 PolarHBondContact N-O 3.47Å; V456-D460 VanDerWaalsContact CG1-OD2 3.29Å; V456-D460 WeakPolarHBondContact CG1-OD2 3.4Å; V456-D460 PolarHBondContact O-N 2.86Å
461H84.6Confident85.6Confident8 Ų848.5 Ų48.54%0.03724%0.237CC..Hα-helixtrans-156.358.1-17549.8-97.1000112.9Y143 S145 M432 C446 C449 C457 F463Y143-H461 HydrophobicContact CD1-CB 3.78Å; Y143-H461 HydrophobicContact CE1-CB 4.19Å; Y143-H461 PolarHBondContact O-ND1 3.22Å; S145-H461 WeakPolarHBondContact OG-CA 3.21Å; S145-H461 VanDerWaalsContact OG-CB 3.25Å; S145-H461 WeakPolarHBondContact OG-CB 3.22Å; M432-H461 WeakPolarHBondContact CB-O 3.39Å; M432-H461 WeakPolarHBondContact CG-O 3.45Å; C446-H461 PolarHBondContact SG-NE2 2.91Å; C446-H461 VanDerWaalsContact SG-NE2 3.38Å; C449-H461 PolarHBondContact SG-NE2 3.27Å; C449-H461 VanDerWaalsContact SG-NE2 3.4Å; C457-H461 CarbonylContact O-C 3.55Å; C457-H461 VanDerWaalsContact O-C 3.24Å; C457-H461 PolarHBondContact O-N 3.25Å; H461-F463 VanDerWaalsContact C-N 3.26Å; H461-F463 PolarHBondContact O-N 3.36Å
462W86.8Confident85.3Confident9 Ų949.3 Ų49.33%0.03424%0.235CC..SBendtrans-58.6-41175.8-151.3-35.2000112.1F146 L162 V164 L176 P180 F208 M432 W453 C457 M458F146-W462 HydrophobicContact CE2-CB 4.49Å; F146-W462 HydrophobicContact CZ-CB 4.38Å; L162-W462 HydrophobicContact CD2-CB 3.88Å; L162-W462 HydrophobicContact CD2-CD2 4.35Å; L162-W462 HydrophobicContact CD2-CE3 3.78Å; L162-W462 HydrophobicContact CD2-CG 4.44Å; L162-W462 HydrophobicContact CG-CE3 4Å; V164-W462 HydrophobicContact CG1-CH2 3.91Å; V164-W462 HydrophobicContact CG1-CZ3 4.16Å; L176-W462 HydrophobicContact CD1-CH2 3.84Å; L176-W462 HydrophobicContact CD1-CZ2 3.86Å; P180-W462 HydrophobicContact CG-CB 4.37Å; P180-W462 HydrophobicContact CG-CD2 3.77Å; P180-W462 HydrophobicContact CG-CE3 4.23Å; P180-W462 HydrophobicContact CG-CG 3.81Å; F208-W462 HydrophobicContact CE1-CZ3 4.41Å; M432-W462 WeakPolarHBondContact CB-O 3.32Å; M432-W462 PolarHBondContact N-O 2.87Å; W453-W462 AromaticContact CH2-CD1 3.97Å; W453-W462 HydrophobicContact CH2-CG 4.41Å; W453-W462 AromaticContact CZ2-CD1 3.94Å; W453-W462 HydrophobicContact CZ2-CG 4.38Å; W453-W462 AromaticContact CZ2-NE1 3.8Å; C457-W462 PolarHBondContact O-N 3.17Å; M458-W462 HydrophobicContact CB-CE3 4.44Å; M458-W462 HydrophobicContact CE-CH2 3.99Å; M458-W462 HydrophobicContact CE-CZ2 4.05Å; M458-W462 HydrophobicContact CG-CD2 3.61Å; M458-W462 HydrophobicContact CG-CE3 3.26Å; M458-W462 HydrophobicContact CG-CG 4.46Å; M458-W462 HydrophobicContact CG-CH2 3.67Å; M458-W462 HydrophobicContact CG-CZ2 3.98Å; M458-W462 HydrophobicContact CG-CZ3 3.29Å; M458-W462 WeakPolarHBondContact O-CB 3.17Å; M458-W462 HydrophobicContact SD-CE3 4.29Å; M458-W462 HydrophobicContact SD-CH2 3.69Å; M458-W462 HydrophobicContact SD-CZ2 4.27Å; M458-W462 HydrophobicContact SD-CZ3 3.7Å
463F86.1Confident84.7Confident0 Ų043.4 Ų43.40%021%0.208CC..BIsolated β-bridgetrans-131.7163.5173.764.5-88.7000110.9S145 F146 L162 P180 C182 W183 V186 G430 H461 V465S145-F463 WeakPolarHBondContact CB-O 3.4Å; S145-F463 PolarHBondContact OG-O 3.23Å; F146-F463 HydrophobicContact CD1-CZ 4.32Å; F146-F463 AromaticContact CE1-CD1 3.89Å; F146-F463 HydrophobicContact CE1-CD1 3.89Å; F146-F463 HydrophobicContact CE1-CD2 4.26Å; F146-F463 AromaticContact CE1-CE1 3.42Å; F146-F463 HydrophobicContact CE1-CE1 3.42Å; F146-F463 VanDerWaalsContact CE1-CE1 3.42Å; F146-F463 AromaticContact CE1-CE2 3.85Å; F146-F463 HydrophobicContact CE1-CE2 3.85Å; F146-F463 HydrophobicContact CE1-CG 4.28Å; F146-F463 AromaticContact CE1-CZ 3.4Å; F146-F463 HydrophobicContact CE1-CZ 3.4Å; F146-F463 VanDerWaalsContact CE1-CZ 3.4Å; F146-F463 AromaticContact CZ-CD1 3.68Å; F146-F463 HydrophobicContact CZ-CD1 3.68Å; F146-F463 AromaticContact CZ-CE1 3.57Å; F146-F463 HydrophobicContact CZ-CE1 3.57Å; F146-F463 HydrophobicContact CZ-CG 4.24Å; F146-F463 HydrophobicContact CZ-CZ 4.06Å; L162-F463 HydrophobicContact CD2-CD1 4.38Å; L162-F463 HydrophobicContact CD2-CE1 4.06Å; P180-F463 HydrophobicContact CB-CD1 4.16Å; P180-F463 HydrophobicContact CG-CD1 4.29Å; C182-F463 VanDerWaalsContact C-CE2 3.44Å; W183-F463 HydrophobicContact CD2-CE2 4.26Å; W183-F463 HydrophobicContact CD2-CZ 4.02Å; W183-F463 HydrophobicContact CE3-CZ 4.13Å; W183-F463 HydrophobicContact CG-CE2 4.24Å; W183-F463 HydrophobicContact CG-CZ 4.32Å; V186-F463 HydrophobicContact CG1-CE1 3.9Å; V186-F463 HydrophobicContact CG2-CE1 4.05Å; V186-F463 HydrophobicContact CG2-CZ 3.99Å; G430-F463 CarbonylContact O-C 3.52Å; G430-F463 WeakPolarHBondContact O-CA 3.4Å; G430-F463 VanDerWaalsContact O-CB 3.32Å; G430-F463 WeakPolarHBondContact O-CB 3.23Å; H461-F463 VanDerWaalsContact C-N 3.26Å; H461-F463 PolarHBondContact O-N 3.36Å; F463-V465 HydrophobicContact CD2-CG1 4.04Å; F463-V465 HydrophobicContact CE2-CG1 3.57Å
464D80Confident84.2Confident57 Ų5744.1 Ų44.131%0.30521%0.214SC..  trans-98.6149.2178.1-162.430.4000110.8Y143 G430 M432Y143-D464 PolarHBondContact OH-OD1 3.16Å; G430-D464 PolarHBondContact O-N 3.29Å; M432-D464 HydrophobicContact CE-CB 3.63Å; M432-D464 HydrophobicContact SD-CB 4.42Å
465V72.3Confident83.8Confident38 Ų3842.9 Ų42.923%0.2321%0.206CC..  trans-125.20-162.7-99.10000115.3S145 W183 R234 F463S145-V465 WeakPolarHBondContact O-CG2 3.29Å; W183-V465 HydrophobicContact CZ2-CG1 4.17Å; R234-V465 PolarHBondContact NH2-O 3.35Å; F463-V465 HydrophobicContact CD2-CG1 4.04Å; F463-V465 HydrophobicContact CE2-CG1 3.57Å

Retrieved 465 of 465 residues in 138 ms (Link to these results)

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