A0A087YEF2_POEFO Loading...

DNA-damage inducible protein 2

AlphaFold DB , UniProt , Accession A0A087YEF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.3Confident82Confident31 Ų3150.1 Ų50.115%0.15325%0.252CS..  0124.1071.3171-177.900106.1V3 D20 V21 P23 L61 V66 D68M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 HydrophobicContact SD-CG2 4.28Å; M1-D20 PolarHBondContact N-OD1 3.41Å; M1-V21 HydrophobicContact CE-CG2 3.93Å; M1-V21 HydrophobicContact CG-CG2 4Å; M1-V21 WeakPolarHBondContact CG-O 3.46Å; M1-V21 PolarHBondContact N-O 2.99Å; M1-V21 PolarHBondContact O-N 3.17Å; M1-P23 HydrophobicContact CE-CB 4.49Å; M1-P23 HydrophobicContact SD-CB 4Å; M1-L61 HydrophobicContact CE-CB 3.63Å; M1-L61 HydrophobicContact CE-CD1 3.84Å; M1-L61 HydrophobicContact CE-CG 4.43Å; M1-V66 HydrophobicContact CE-CB 4.2Å; M1-V66 HydrophobicContact CE-CG1 3.92Å; M1-V66 HydrophobicContact SD-CG1 4.45Å; M1-D68 WeakPolarHBondContact CA-OD1 3.4Å; M1-D68 HydrophobicContact CB-CB 4.09Å
2L87.8Confident81Confident82 Ų8260 Ų6043%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-84106.8-175.8-169.168.9000109.2A18 D20 D68 G69L2-A18 HydrophobicContact CD1-CB 3.95Å; L2-A18 HydrophobicContact CG-CB 4.36Å; L2-D20 HydrophobicContact CD1-CB 4.3Å; L2-D68 PolarHBondContact N-OD1 3.45Å; L2-G69 WeakPolarHBondContact O-CA 3.27Å; L2-G69 PolarHBondContact O-N 3.41Å
3V89.1Confident80.4Confident0 Ų063.6 Ų63.60%032%0.316CS..EExtended strand (participates in β ladder)trans-104.6125.7178.3-177.90000108.7M1 A18 L19 V21 F30 V66 V72M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 HydrophobicContact SD-CG2 4.28Å; V3-A18 WeakPolarHBondContact O-CA 3.43Å; V3-L19 PolarHBondContact N-O 3.23Å; V3-L19 PolarHBondContact O-N 3.15Å; V3-V21 HydrophobicContact CB-CG2 4.47Å; V3-V21 HydrophobicContact CG2-CG2 3.83Å; V3-F30 HydrophobicContact CG1-CZ 4.07Å; V3-V66 HydrophobicContact CG1-CG1 4.21Å; V3-V66 HydrophobicContact CG2-CG1 3.76Å; V3-V72 HydrophobicContact CG1-CB 4.41Å; V3-V72 HydrophobicContact CG1-CG1 3.79Å; V3-V72 HydrophobicContact CG1-CG2 3.78Å
4T89.6Confident80.6Confident40 Ų4069 Ų6925%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-89.4124.1175.4-57.60000109.2T16 D70 V71 V72T4-T16 HydrophobicContact CG2-CG2 3.4Å; T4-T16 VanDerWaalsContact CG2-CG2 3.4Å; T4-D70 PolarHBondContact N-O 3.46Å; T4-V71 HydrophobicContact CG2-CG2 4.44Å; T4-V71 CarbonylContact O-C 3.54Å; T4-V71 WeakPolarHBondContact O-CA 3.25Å; T4-V72 PolarHBondContact O-N 2.89Å
5V90.4Very high80.8Confident0 Ų068.5 Ų68.50%034%0.342CS..EExtended strand (participates in β ladder)trans-101.4114.3178.1-1740000108.6T16 F17 L19 F30 V72 L74V5-T16 VanDerWaalsContact O-CA 3.31Å; V5-T16 WeakPolarHBondContact O-CA 3.39Å; V5-F17 HydrophobicContact CB-CD1 4.49Å; V5-F17 HydrophobicContact CB-CD2 3.98Å; V5-F17 HydrophobicContact CB-CE1 4.13Å; V5-F17 HydrophobicContact CB-CE2 3.57Å; V5-F17 HydrophobicContact CB-CG 4.42Å; V5-F17 HydrophobicContact CB-CZ 3.66Å; V5-F17 HydrophobicContact CG1-CE1 4.04Å; V5-F17 HydrophobicContact CG1-CE2 3.98Å; V5-F17 HydrophobicContact CG1-CZ 3.57Å; V5-F17 HydrophobicContact CG2-CD2 4.16Å; V5-F17 HydrophobicContact CG2-CE2 3.65Å; V5-F17 HydrophobicContact CG2-CZ 4.14Å; V5-F17 PolarHBondContact N-O 3.15Å; V5-F17 PolarHBondContact O-N 3.17Å; V5-F17 VanDerWaalsContact O-N 3.11Å; V5-L19 HydrophobicContact CG2-CD1 4.06Å; V5-L19 HydrophobicContact CG2-CG 4.44Å; V5-F30 HydrophobicContact CG2-CZ 4.05Å; V5-V72 WeakPolarHBondContact CA-O 3.49Å; V5-V72 HydrophobicContact CB-CG2 4.17Å; V5-V72 HydrophobicContact CG1-CG2 4.2Å; V5-V72 HydrophobicContact CG2-CG2 3.73Å; V5-L74 HydrophobicContact CG1-CB 3.76Å; V5-L74 HydrophobicContact CG1-CD1 4.11Å
6F88.1Confident81.2Confident67 Ų6769.7 Ų69.729%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-88.9107.1168.5-178.5-98.5000108.7A8 E14 T16 V71 V72 V73 L74F6-A8 HydrophobicContact CE1-CB 4.19Å; F6-E14 HydrophobicContact CE2-CB 4.37Å; F6-E14 HydrophobicContact CZ-CB 4.19Å; F6-E14 HydrophobicContact CZ-CG 4.19Å; F6-E14 WeakPolarHBondContact CZ-OE2 3.42Å; F6-T16 WeakPolarHBondContact CD2-OG1 3.38Å; F6-V71 HydrophobicContact CB-CG1 4.09Å; F6-V72 PolarHBondContact N-O 2.97Å; F6-V73 HydrophobicContact CD1-CG1 4.38Å; F6-V73 WeakPolarHBondContact O-CA 3.21Å; F6-L74 PolarHBondContact O-N 2.91Å
7C87Confident81.7Confident0 Ų067.3 Ų67.30%034%0.341CS..EExtended strand (participates in β ladder)trans-98.6122.4-179.2179.10000109.9P9 E14 T15 F17 L74C7-P9 WeakPolarHBondContact O-CD 3.38Å; C7-E14 WeakPolarHBondContact O-CA 3.41Å; C7-T15 WeakPolarHBondContact CA-O 3.19Å; C7-T15 VanDerWaalsContact CB-O 3.28Å; C7-T15 WeakPolarHBondContact CB-O 3.47Å; C7-T15 PolarHBondContact N-O 3.19Å; C7-T15 PolarHBondContact O-N 3.23Å; C7-F17 HydrophobicContact CB-CE1 4.03Å; C7-L74 HydrophobicContact CB-CB 4.39Å
8A75.4Confident82.1Confident26 Ų2666.8 Ų66.822%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-115.785.417200000109.3F6 E14 L74F6-A8 HydrophobicContact CE1-CB 4.19Å; A8-E14 HydrophobicContact CB-CG 4.46Å; A8-L74 PolarHBondContact N-O 3.32Å
9P72.6Confident82.5Confident19 Ų1964 Ų6412%0.12333%0.334CS..  trans-67.3158.8174.1-11.727000111C7 R12 I40C7-P9 WeakPolarHBondContact O-CD 3.38Å; P9-R12 HydrophobicContact CB-CB 3.88Å; P9-R12 HydrophobicContact CG-CB 3.95Å; P9-I40 HydrophobicContact CB-CD1 4.28Å; P9-I40 HydrophobicContact CG-CD1 4.38Å
10R68.6Low82.8Confident137 Ų13767.3 Ų67.352%0.51735%0.352SS..SBendtrans-71.5-40.8177.3-76.7-176.3172.5-159.80.3113.4Q76 D78R10-Q76 HydrophobicContact CG-CB 4.48Å; R10-Q76 PolarHBondContact NE-O 2.85Å; R10-D78 IonicContact CZ-OD1 3.84Å; R10-D78 VanDerWaalsContact CZ-OD1 3.31Å; R10-D78 IonicContact CZ-OD2 3.84Å; R10-D78 VanDerWaalsContact NH1-CG 3.28Å; R10-D78 IonicContact NH1-OD1 3.4Å; R10-D78 PolarHBondContact NH1-OD1 2.81Å; R10-D78 IonicContact NH1-OD2 3.83Å; R10-D78 PolarHBondContact NH1-OD2 2.96Å; R10-D78 IonicContact NH2-OD1 3.81Å; R10-D78 PolarHBondContact NH2-OD1 2.85Å; R10-D78 IonicContact NH2-OD2 2.73Å; R10-D78 PolarHBondContact NH2-OD2 2.9Å
11D66.8Low83.1Confident149 Ų14964.6 Ų64.680%0.79734%0.338SS*.SBendtrans-117.413.5-167.6-57.8-43.1000113.1
12R70.9Confident83.2Confident169 Ų16965.7 Ų65.764%0.63835%0.349SS*.SBendtrans-137.6155.6-178.4-67.7-175.4-175.8-179.81.7111.1P9P9-R12 HydrophobicContact CB-CB 3.88Å; P9-R12 HydrophobicContact CG-CB 3.95Å
13P73.3Confident83.1Confident107 Ų10764.9 Ų64.970%0.69535%0.349SS*.  trans-58.3148.3174.624.9-34.6000111.4T15P13-T15 PolarHBondContact O-N 2.9Å
14E82.7Confident83Confident139 Ų13972.4 Ų72.465%0.6538%0.384SS*.  trans-56.9133.7174.8-63.4176.4168.600109.8F6 C7 A8F6-E14 HydrophobicContact CE2-CB 4.37Å; F6-E14 HydrophobicContact CZ-CB 4.19Å; F6-E14 HydrophobicContact CZ-CG 4.19Å; F6-E14 WeakPolarHBondContact CZ-OE2 3.42Å; C7-E14 WeakPolarHBondContact O-CA 3.41Å; A8-E14 HydrophobicContact CB-CG 4.46Å
15T83.6Confident82.9Confident62 Ų6272.2 Ų72.238%0.3838%0.382SS..EExtended strand (participates in β ladder)trans-130.1140.6-176.339.60000109.2C7 P13C7-T15 WeakPolarHBondContact CA-O 3.19Å; C7-T15 VanDerWaalsContact CB-O 3.28Å; C7-T15 WeakPolarHBondContact CB-O 3.47Å; C7-T15 PolarHBondContact N-O 3.19Å; C7-T15 PolarHBondContact O-N 3.23Å; P13-T15 PolarHBondContact O-N 2.9Å
16T87.7Confident83Confident87 Ų8776.1 Ų76.153%0.53440%0.4SS..EExtended strand (participates in β ladder)trans-126127.1178.4-54.50000108.6T4 V5 F6T4-T16 HydrophobicContact CG2-CG2 3.4Å; T4-T16 VanDerWaalsContact CG2-CG2 3.4Å; V5-T16 VanDerWaalsContact O-CA 3.31Å; V5-T16 WeakPolarHBondContact O-CA 3.39Å; F6-T16 WeakPolarHBondContact CD2-OG1 3.38Å
17F89.3Confident82.9Confident29 Ų2973.3 Ų73.313%0.12739%0.388CS..EExtended strand (participates in β ladder)trans-135.3156.6177.456.4-91.3000110.3V5 C7 L19 E37V5-F17 HydrophobicContact CB-CD1 4.49Å; V5-F17 HydrophobicContact CB-CD2 3.98Å; V5-F17 HydrophobicContact CB-CE1 4.13Å; V5-F17 HydrophobicContact CB-CE2 3.57Å; V5-F17 HydrophobicContact CB-CG 4.42Å; V5-F17 HydrophobicContact CB-CZ 3.66Å; V5-F17 HydrophobicContact CG1-CE1 4.04Å; V5-F17 HydrophobicContact CG1-CE2 3.98Å; V5-F17 HydrophobicContact CG1-CZ 3.57Å; V5-F17 HydrophobicContact CG2-CD2 4.16Å; V5-F17 HydrophobicContact CG2-CE2 3.65Å; V5-F17 HydrophobicContact CG2-CZ 4.14Å; V5-F17 PolarHBondContact N-O 3.15Å; V5-F17 PolarHBondContact O-N 3.17Å; V5-F17 VanDerWaalsContact O-N 3.11Å; C7-F17 HydrophobicContact CB-CE1 4.03Å; F17-L19 HydrophobicContact CD2-CD1 4.46Å; F17-L19 HydrophobicContact CD2-CD2 4.37Å; F17-L19 HydrophobicContact CD2-CG 4.03Å; F17-L19 HydrophobicContact CE2-CD1 3.95Å; F17-L19 HydrophobicContact CE2-CD2 4.49Å; F17-L19 HydrophobicContact CE2-CG 4.03Å; F17-E37 HydrophobicContact CD1-CB 4.15Å; F17-E37 HydrophobicContact CD2-CB 3.55Å; F17-E37 HydrophobicContact CD2-CG 3.82Å; F17-E37 HydrophobicContact CE1-CB 4.02Å; F17-E37 HydrophobicContact CE2-CB 3.39Å; F17-E37 HydrophobicContact CE2-CG 3.9Å; F17-E37 HydrophobicContact CG-CB 3.93Å; F17-E37 HydrophobicContact CG-CG 4.48Å; F17-E37 HydrophobicContact CZ-CB 3.64Å
18A89.1Confident83Confident58 Ų5881.7 Ų81.748%0.47942%0.419SS..EExtended strand (participates in β ladder)trans-113.5132.7-178.800000110.2L2 V3L2-A18 HydrophobicContact CD1-CB 3.95Å; L2-A18 HydrophobicContact CG-CB 4.36Å; V3-A18 WeakPolarHBondContact O-CA 3.43Å
19L88.8Confident83.5Confident14 Ų1484.2 Ų84.27%0.07343%0.429CS..EExtended strand (participates in β ladder)trans-115.3125.1178.5-69.7177.8000109.5V3 V5 F17 V21 F30 L33 E37V3-L19 PolarHBondContact N-O 3.23Å; V3-L19 PolarHBondContact O-N 3.15Å; V5-L19 HydrophobicContact CG2-CD1 4.06Å; V5-L19 HydrophobicContact CG2-CG 4.44Å; F17-L19 HydrophobicContact CD2-CD1 4.46Å; F17-L19 HydrophobicContact CD2-CD2 4.37Å; F17-L19 HydrophobicContact CD2-CG 4.03Å; F17-L19 HydrophobicContact CE2-CD1 3.95Å; F17-L19 HydrophobicContact CE2-CD2 4.49Å; F17-L19 HydrophobicContact CE2-CG 4.03Å; L19-V21 HydrophobicContact CB-CG1 3.99Å; L19-F30 HydrophobicContact CB-CE2 4.46Å; L19-F30 HydrophobicContact CD1-CD2 4.29Å; L19-F30 HydrophobicContact CD1-CE2 3.7Å; L19-F30 HydrophobicContact CD1-CZ 4.28Å; L19-L33 HydrophobicContact CD1-CB 3.97Å; L19-E37 HydrophobicContact CD2-CG 3.85Å
20D89.3Confident84.3Confident129 Ų12983.3 Ų83.369%0.6942%0.423SS*.EExtended strand (participates in β ladder)trans-89105.4168.6-169.510.9000109.7M1 L2M1-D20 PolarHBondContact N-OD1 3.41Å; L2-D20 HydrophobicContact CD1-CB 4.3Å
21V89.1Confident85.2Confident11 Ų1177.9 Ų77.97%0.06741%0.405CS..  trans-125.2154.8-172.3-670000111.8M1 V3 L19 L25 F30 L33 L61M1-V21 HydrophobicContact CE-CG2 3.93Å; M1-V21 HydrophobicContact CG-CG2 4Å; M1-V21 WeakPolarHBondContact CG-O 3.46Å; M1-V21 PolarHBondContact N-O 2.99Å; M1-V21 PolarHBondContact O-N 3.17Å; V3-V21 HydrophobicContact CB-CG2 4.47Å; V3-V21 HydrophobicContact CG2-CG2 3.83Å; L19-V21 HydrophobicContact CB-CG1 3.99Å; V21-L25 HydrophobicContact CB-CD2 3.84Å; V21-L25 HydrophobicContact CG1-CD2 3.77Å; V21-F30 HydrophobicContact CG1-CD2 4.11Å; V21-F30 HydrophobicContact CG1-CE2 4.23Å; V21-F30 HydrophobicContact CG2-CD2 4.41Å; V21-F30 HydrophobicContact CG2-CE2 4.23Å; V21-L33 HydrophobicContact CG1-CD1 3.7Å; V21-L61 HydrophobicContact CG2-CD1 3.96Å
22S88.4Confident86.1Confident55 Ų5573.1 Ų73.139%0.38539%0.386SS..  trans-70.6142.1170.8179.40000110.4E24 L25S22-E24 PolarHBondContact O-N 3.12Å; S22-E24 VanDerWaalsContact O-N 3.15Å; S22-E24 PolarHBondContact OG-N 2.68Å; S22-L25 WeakPolarHBondContact O-CB 3.36Å; S22-L25 PolarHBondContact O-N 2.86Å
23P86.1Confident86.9Confident65 Ų6568.2 Ų68.242%0.42237%0.372SS..THydrogen-bonded Turntrans-60.6-18.6170.126.2-35.1000113.3M1 G62M1-P23 HydrophobicContact CE-CB 4.49Å; M1-P23 HydrophobicContact SD-CB 4Å; P23-G62 WeakPolarHBondContact O-CA 3.33Å; P23-G62 PolarHBondContact O-N 3.46Å
24E87.2Confident87.5Confident157 Ų15763.1 Ų63.173%0.73434%0.339SS*.THydrogen-bonded Turntrans-88.3-4.9178.1-65158.4-174.800113S22 E26 A60S22-E24 PolarHBondContact O-N 3.12Å; S22-E24 VanDerWaalsContact O-N 3.15Å; S22-E24 PolarHBondContact OG-N 2.68Å; E24-E26 PolarHBondContact O-N 3.22Å; E24-A60 WeakPolarHBondContact O-CB 3.47Å
25L87.8Confident87.7Confident37 Ų3760.1 Ų60.119%0.19433%0.325CS..  trans-61.7129.4-179.6-168.669.6000110.5V21 S22 D29 F30 L33 A60 L61V21-L25 HydrophobicContact CB-CD2 3.84Å; V21-L25 HydrophobicContact CG1-CD2 3.77Å; S22-L25 WeakPolarHBondContact O-CB 3.36Å; S22-L25 PolarHBondContact O-N 2.86Å; L25-D29 HydrophobicContact CD1-CB 3.72Å; L25-D29 HydrophobicContact CG-CB 4.09Å; L25-F30 HydrophobicContact CD2-CB 3.98Å; L25-F30 HydrophobicContact CD2-CD2 4.15Å; L25-L33 HydrophobicContact CD2-CD1 3.83Å; L25-A60 CarbonylContact O-C 3.15Å; L25-A60 VanDerWaalsContact O-CA 3.27Å; L25-A60 WeakPolarHBondContact O-CA 3.49Å; L25-L61 HydrophobicContact CB-CD1 4.27Å; L25-L61 HydrophobicContact CD2-CD1 4.36Å; L25-L61 WeakPolarHBondContact O-CG 3.31Å; L25-L61 PolarHBondContact O-N 2.95Å
26E90.7Very high87.7Confident81 Ų8163.7 Ų63.738%0.37934%0.341SS..BIsolated β-bridgetrans-68.4148.9175.9-65-172.4177.800111.2E24 R28 D29 F30E24-E26 PolarHBondContact O-N 3.22Å; E26-R28 PolarHBondContact O-N 2.97Å; E26-D29 PolarHBondContact O-N 3.42Å; E26-D29 VanDerWaalsContact O-N 3.13Å; E26-F30 PolarHBondContact O-N 3.11Å
27L87.9Confident87.5Confident8 Ų864.9 Ų64.94%0.04234%0.341CS..Hα-helixtrans-56.6-35.7178.9179.564.8000112.3D29 F30 V31 I47 L54 D56 P57 R59 L61 Y64L27-D29 PolarHBondContact O-N 2.94Å; L27-F30 PolarHBondContact O-N 3.14Å; L27-V31 HydrophobicContact CD1-CG2 4.28Å; L27-V31 HydrophobicContact CG-CG2 4.34Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.37Å; L27-V31 PolarHBondContact O-N 3.33Å; L27-I47 HydrophobicContact CD1-CD1 4.28Å; L27-L54 HydrophobicContact CD1-CB 3.69Å; L27-L54 HydrophobicContact CD1-CD1 3.73Å; L27-L54 HydrophobicContact CD1-CG 4.37Å; L27-L54 HydrophobicContact CD2-CB 3.55Å; L27-L54 HydrophobicContact CG-CB 4.28Å; L27-D56 WeakPolarHBondContact CB-O 3.47Å; L27-D56 WeakPolarHBondContact CD2-O 3.27Å; L27-P57 PolarHBondContact N-O 2.82Å; L27-R59 PolarHBondContact N-O 3.2Å; L27-L61 HydrophobicContact CD1-CD2 4.27Å; L27-Y64 HydrophobicContact CB-CE2 4.38Å; L27-Y64 HydrophobicContact CD2-CE2 4.32Å
28R87.4Confident87.2Confident177 Ų17764 Ų6467%0.66834%0.339SS*.Hα-helixtrans-57.1-48.3176.3179.6-177.3174.9-174.6-3.3112.2E26 F30 V31 A32 P57E26-R28 PolarHBondContact O-N 2.97Å; R28-F30 VanDerWaalsContact C-N 3.35Å; R28-V31 PolarHBondContact O-N 3.33Å; R28-A32 PolarHBondContact O-N 3.09Å; R28-A32 VanDerWaalsContact O-N 3.11Å; R28-P57 HydrophobicContact CB-CB 4.09Å; R28-P57 WeakPolarHBondContact CB-O 3.48Å; R28-P57 PolarHBondContact N-O 3.17Å
29D85.9Confident86.8Confident78 Ų7863.6 Ų63.642%0.41734%0.34SS..Hα-helixtrans-72.7-34.6-177.5-64.3-23.9000110.6L25 E26 L27 A32 L33L25-D29 HydrophobicContact CD1-CB 3.72Å; L25-D29 HydrophobicContact CG-CB 4.09Å; E26-D29 PolarHBondContact O-N 3.42Å; E26-D29 VanDerWaalsContact O-N 3.13Å; L27-D29 PolarHBondContact O-N 2.94Å; D29-A32 WeakPolarHBondContact O-CB 3.34Å; D29-A32 PolarHBondContact O-N 3.03Å; D29-L33 WeakPolarHBondContact O-CG 3.33Å; D29-L33 PolarHBondContact O-N 3.16Å
30F89.3Confident86.5Confident1 Ų163.3 Ų63.30%0.00434%0.338CS..Hα-helixtrans-64.2-38.1172.2-172.3-113.6000113.1V3 V5 L19 V21 L25 E26 L27 R28 A32 L33 C34 I47 L61 V72V3-F30 HydrophobicContact CG1-CZ 4.07Å; V5-F30 HydrophobicContact CG2-CZ 4.05Å; L19-F30 HydrophobicContact CB-CE2 4.46Å; L19-F30 HydrophobicContact CD1-CD2 4.29Å; L19-F30 HydrophobicContact CD1-CE2 3.7Å; L19-F30 HydrophobicContact CD1-CZ 4.28Å; V21-F30 HydrophobicContact CG1-CD2 4.11Å; V21-F30 HydrophobicContact CG1-CE2 4.23Å; V21-F30 HydrophobicContact CG2-CD2 4.41Å; V21-F30 HydrophobicContact CG2-CE2 4.23Å; L25-F30 HydrophobicContact CD2-CB 3.98Å; L25-F30 HydrophobicContact CD2-CD2 4.15Å; E26-F30 PolarHBondContact O-N 3.11Å; L27-F30 PolarHBondContact O-N 3.14Å; R28-F30 VanDerWaalsContact C-N 3.35Å; F30-A32 VanDerWaalsContact C-N 3.33Å; F30-L33 PolarHBondContact O-N 3.32Å; F30-C34 WeakPolarHBondContact O-CB 3.49Å; F30-C34 PolarHBondContact O-N 3.08Å; F30-C34 PolarHBondContact O-SG 3.35Å; F30-I47 HydrophobicContact CD1-CD1 3.54Å; F30-I47 HydrophobicContact CE1-CD1 3.75Å; F30-I47 HydrophobicContact CE1-CG2 4.34Å; F30-L61 HydrophobicContact CB-CD1 3.91Å; F30-L61 HydrophobicContact CB-CD2 4.06Å; F30-L61 HydrophobicContact CB-CG 4.26Å; F30-L61 HydrophobicContact CD1-CD1 4.18Å; F30-L61 HydrophobicContact CD1-CD2 3.72Å; F30-L61 HydrophobicContact CD2-CD1 3.5Å; F30-L61 VanDerWaalsContact CD2-CD1 3.5Å; F30-L61 HydrophobicContact CE1-CD2 4.3Å; F30-L61 HydrophobicContact CE2-CD1 4Å; F30-L61 HydrophobicContact CG-CD1 3.59Å; F30-L61 HydrophobicContact CG-CD2 3.86Å; F30-L61 HydrophobicContact CG-CG 4.23Å; F30-V72 HydrophobicContact CE1-CG2 4.11Å; F30-V72 HydrophobicContact CZ-CG2 4.01Å
31V88.3Confident86.3Confident23 Ų2360.1 Ų60.114%0.13932%0.324CS..Hα-helixtrans-64.6-38.4173.4169.20000110.8L27 R28 C34 E35 A42 I45 I47L27-V31 HydrophobicContact CD1-CG2 4.28Å; L27-V31 HydrophobicContact CG-CG2 4.34Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.37Å; L27-V31 PolarHBondContact O-N 3.33Å; R28-V31 PolarHBondContact O-N 3.33Å; V31-C34 CarbonylContact O-C 3.55Å; V31-C34 WeakPolarHBondContact O-CB 3.47Å; V31-C34 PolarHBondContact O-N 3.46Å; V31-E35 WeakPolarHBondContact O-CB 3.3Å; V31-E35 PolarHBondContact O-N 3.3Å; V31-A42 HydrophobicContact CG1-CB 3.67Å; V31-I45 HydrophobicContact CG1-CB 4.09Å; V31-I45 HydrophobicContact CG1-CD1 4.21Å; V31-I45 HydrophobicContact CG1-CG2 4.05Å; V31-I45 HydrophobicContact CG2-CG2 4.32Å; V31-I47 HydrophobicContact CG2-CD1 3.58Å; V31-I47 HydrophobicContact CG2-CG1 4.3Å
32A85.9Confident85.9Confident48 Ų4861.4 Ų61.440%0.39734%0.337SS..Hα-helixtrans-65.2-38.9175.600000112.5R28 D29 F30 E35 L36R28-A32 PolarHBondContact O-N 3.09Å; R28-A32 VanDerWaalsContact O-N 3.11Å; D29-A32 WeakPolarHBondContact O-CB 3.34Å; D29-A32 PolarHBondContact O-N 3.03Å; F30-A32 VanDerWaalsContact C-N 3.33Å; A32-E35 PolarHBondContact O-N 3.02Å; A32-L36 PolarHBondContact O-N 2.71Å; A32-L36 VanDerWaalsContact O-N 3.12Å
33L86.9Confident85.4Confident66 Ų6662.6 Ų62.635%0.34636%0.357SS..Hα-helixtrans-64.7-41.2172.3-67174.8000111.6L19 V21 L25 D29 F30 E35 L36 E37L19-L33 HydrophobicContact CD1-CB 3.97Å; V21-L33 HydrophobicContact CG1-CD1 3.7Å; L25-L33 HydrophobicContact CD2-CD1 3.83Å; D29-L33 WeakPolarHBondContact O-CG 3.33Å; D29-L33 PolarHBondContact O-N 3.16Å; F30-L33 PolarHBondContact O-N 3.32Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-L36 PolarHBondContact O-N 3.18Å; L33-E37 PolarHBondContact O-N 3.46Å; L33-E37 VanDerWaalsContact O-N 3.16Å
34C86.4Confident85.3Confident0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-64.2-37.3174.6-71.10000112.7F30 V31 L36 E37 S38 I45 L74F30-C34 WeakPolarHBondContact O-CB 3.49Å; F30-C34 PolarHBondContact O-N 3.08Å; F30-C34 PolarHBondContact O-SG 3.35Å; V31-C34 CarbonylContact O-C 3.55Å; V31-C34 WeakPolarHBondContact O-CB 3.47Å; V31-C34 PolarHBondContact O-N 3.46Å; C34-L36 VanDerWaalsContact C-N 3.34Å; C34-E37 PolarHBondContact O-N 2.98Å; C34-S38 WeakPolarHBondContact O-CB 3.48Å; C34-S38 PolarHBondContact O-N 3.36Å; C34-S38 PolarHBondContact O-OG 3.48Å; C34-I45 HydrophobicContact CB-CD1 4.14Å; C34-L74 HydrophobicContact CB-CD1 3.55Å
35E86.9Confident85.2Confident76 Ų7655.6 Ų55.636%0.35532%0.319SS..Hα-helixtrans-61.6-43174.8169.7170.8-139.500111.1V31 A32 L33 G39 I40 P41 A42 I45V31-E35 WeakPolarHBondContact O-CB 3.3Å; V31-E35 PolarHBondContact O-N 3.3Å; A32-E35 PolarHBondContact O-N 3.02Å; L33-E35 VanDerWaalsContact C-N 3.35Å; E35-G39 VanDerWaalsContact O-CA 3.25Å; E35-G39 WeakPolarHBondContact O-CA 3.37Å; E35-G39 PolarHBondContact O-N 3.48Å; E35-I40 WeakPolarHBondContact CA-O 3.39Å; E35-I40 WeakPolarHBondContact CB-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.36Å; E35-P41 WeakPolarHBondContact OE1-CA 3.29Å; E35-A42 PolarHBondContact OE1-N 2.85Å; E35-A42 VanDerWaalsContact OE1-N 3.09Å; E35-A42 WeakPolarHBondContact OE2-CB 3.43Å; E35-I45 HydrophobicContact CB-CD1 3.93Å
36L83.7Confident85.2Confident137 Ų13757.9 Ų57.972%0.71733%0.329SS*.Hα-helixtrans-62.8-45178-174.764.8000112.4A32 L33 C34A32-L36 PolarHBondContact O-N 2.71Å; A32-L36 VanDerWaalsContact O-N 3.12Å; L33-L36 PolarHBondContact O-N 3.18Å; C34-L36 VanDerWaalsContact C-N 3.34Å
37E84.1Confident85.1Confident112 Ų11254.2 Ų54.252%0.52331%0.312SS..Hα-helixtrans-80.6-37.2-176.9-67.5-63.2160.200113.4F17 L19 L33 C34F17-E37 HydrophobicContact CD1-CB 4.15Å; F17-E37 HydrophobicContact CD2-CB 3.55Å; F17-E37 HydrophobicContact CD2-CG 3.82Å; F17-E37 HydrophobicContact CE1-CB 4.02Å; F17-E37 HydrophobicContact CE2-CB 3.39Å; F17-E37 HydrophobicContact CE2-CG 3.9Å; F17-E37 HydrophobicContact CG-CB 3.93Å; F17-E37 HydrophobicContact CG-CG 4.48Å; F17-E37 HydrophobicContact CZ-CB 3.64Å; L19-E37 HydrophobicContact CD2-CG 3.85Å; L33-E37 PolarHBondContact O-N 3.46Å; L33-E37 VanDerWaalsContact O-N 3.16Å; C34-E37 PolarHBondContact O-N 2.98Å
38S82.9Confident85.1Confident12 Ų1255.2 Ų55.28%0.08432%0.318CS..Hα-helixtrans-89.5-21.7-177.669.70000113.9C34 I40C34-S38 WeakPolarHBondContact O-CB 3.48Å; C34-S38 PolarHBondContact O-N 3.36Å; C34-S38 PolarHBondContact O-OG 3.48Å; S38-I40 PolarHBondContact O-N 2.99Å; S38-I40 PolarHBondContact OG-N 3.47Å
39G80.8Confident85.2Confident49 Ų4948.3 Ų48.351%0.50529%0.293SS..  trans68.515.6-172.500000114.4E35E35-G39 VanDerWaalsContact O-CA 3.25Å; E35-G39 WeakPolarHBondContact O-CA 3.37Å; E35-G39 PolarHBondContact O-N 3.48Å
40I82.5Confident85.2Confident8 Ų849.8 Ų49.84%0.04130%0.304CS..  trans-93.1129.4175.7-61.4166.8000108.7P9 E35 S38 A42 E44 I45 L74 Q76P9-I40 HydrophobicContact CB-CD1 4.28Å; P9-I40 HydrophobicContact CG-CD1 4.38Å; E35-I40 WeakPolarHBondContact CA-O 3.39Å; E35-I40 WeakPolarHBondContact CB-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.36Å; S38-I40 PolarHBondContact O-N 2.99Å; S38-I40 PolarHBondContact OG-N 3.47Å; I40-A42 PolarHBondContact O-N 2.99Å; I40-E44 HydrophobicContact CG2-CB 4.07Å; I40-I45 HydrophobicContact CB-CD1 4.32Å; I40-I45 HydrophobicContact CB-CG1 3.94Å; I40-I45 HydrophobicContact CG2-CG1 3.67Å; I40-I45 VanDerWaalsContact O-CD1 3.25Å; I40-I45 WeakPolarHBondContact O-CD1 3.31Å; I40-L74 HydrophobicContact CD1-CD2 3.54Å; I40-Q76 HydrophobicContact CD1-CB 4.3Å; I40-Q76 HydrophobicContact CG2-CB 4.28Å; I40-Q76 HydrophobicContact CG2-CG 3.81Å
41P83.8Confident84.5Confident61 Ų6158.7 Ų58.740%0.39635%0.346SS..  trans-57.6137.7179-24.833.8000112.5E35 G43 E44 I45E35-P41 WeakPolarHBondContact OE1-CA 3.29Å; P41-G43 PolarHBondContact O-N 2.7Å; P41-E44 PolarHBondContact O-N 3.02Å; P41-I45 PolarHBondContact O-N 3.34Å
42A80.4Confident84.2Confident39 Ų3964.4 Ų64.432%0.32237%0.371SS..THydrogen-bonded Turntrans-53.2-31.6-176.800000114.4V31 E35 I40 E44 I45V31-A42 HydrophobicContact CG1-CB 3.67Å; E35-A42 PolarHBondContact OE1-N 2.85Å; E35-A42 VanDerWaalsContact OE1-N 3.09Å; E35-A42 WeakPolarHBondContact OE2-CB 3.43Å; I40-A42 PolarHBondContact O-N 2.99Å; A42-E44 PolarHBondContact O-N 3.19Å; A42-I45 PolarHBondContact O-N 3.35Å
43G78.9Confident84.1Confident79 Ų7964.4 Ų64.481%0.81437%0.367SS*.THydrogen-bonded Turntrans-70.9-12.9177.100000115.1P41P41-G43 PolarHBondContact O-N 2.7Å
44E83.8Confident84.2Confident54 Ų5462 Ų6225%0.25236%0.355SS..THydrogen-bonded Turntrans-108.9-9.1177.7-60.4-179.6-170.400112I40 P41 A42 Q46 Q76 A77I40-E44 HydrophobicContact CG2-CB 4.07Å; P41-E44 PolarHBondContact O-N 3.02Å; A42-E44 PolarHBondContact O-N 3.19Å; E44-Q46 PolarHBondContact O-N 3.43Å; E44-Q76 HydrophobicContact CB-CG 4.08Å; E44-Q76 CarbonylContact O-C 3.12Å; E44-Q76 WeakPolarHBondContact O-CA 3.37Å; E44-Q76 PolarHBondContact OE2-NE2 3.46Å; E44-A77 PolarHBondContact O-N 2.89Å
45I85.8Confident83.9Confident21 Ų2170.1 Ų70.111%0.10839%0.39CS..EExtended strand (participates in β ladder)trans-76.6123.7179-70.8179.5000110.3V31 C34 E35 I40 P41 A42 I47 L74V31-I45 HydrophobicContact CG1-CB 4.09Å; V31-I45 HydrophobicContact CG1-CD1 4.21Å; V31-I45 HydrophobicContact CG1-CG2 4.05Å; V31-I45 HydrophobicContact CG2-CG2 4.32Å; C34-I45 HydrophobicContact CB-CD1 4.14Å; E35-I45 HydrophobicContact CB-CD1 3.93Å; I40-I45 HydrophobicContact CB-CD1 4.32Å; I40-I45 HydrophobicContact CB-CG1 3.94Å; I40-I45 HydrophobicContact CG2-CG1 3.67Å; I40-I45 VanDerWaalsContact O-CD1 3.25Å; I40-I45 WeakPolarHBondContact O-CD1 3.31Å; P41-I45 PolarHBondContact O-N 3.34Å; A42-I45 PolarHBondContact O-N 3.35Å; I45-I47 HydrophobicContact CG2-CD1 4.13Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I45-L74 HydrophobicContact CD1-CD1 4.25Å; I45-L74 HydrophobicContact CG1-CD1 4.45Å; I45-L74 HydrophobicContact CG1-CD2 4.36Å; I45-L74 HydrophobicContact CG2-CD1 4.09Å; I45-L74 HydrophobicContact CG2-CD2 4.48Å; I45-L74 HydrophobicContact CG2-CG 4Å
46Q87.1Confident83.8Confident85 Ų8569.8 Ų69.840%0.39739%0.39SS..EExtended strand (participates in β ladder)trans-118.5113.1166.8-17117610.300110E44 R75 A77E44-Q46 PolarHBondContact O-N 3.43Å; Q46-R75 PolarHBondContact N-O 3.19Å; Q46-R75 PolarHBondContact O-N 2.89Å; Q46-A77 HydrophobicContact CB-CB 4.5Å
47I88.9Confident83.7Confident4 Ų466.5 Ų66.52%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-94.2130.8179.1-54.9-177.4000109.6L27 F30 V31 I45 P53 L54 V72 V73L27-I47 HydrophobicContact CD1-CD1 4.28Å; F30-I47 HydrophobicContact CD1-CD1 3.54Å; F30-I47 HydrophobicContact CE1-CD1 3.75Å; F30-I47 HydrophobicContact CE1-CG2 4.34Å; V31-I47 HydrophobicContact CG2-CD1 3.58Å; V31-I47 HydrophobicContact CG2-CG1 4.3Å; I45-I47 HydrophobicContact CG2-CD1 4.13Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I47-P53 WeakPolarHBondContact O-CA 3.42Å; I47-L54 HydrophobicContact CB-CD1 4.43Å; I47-L54 HydrophobicContact CG2-CD1 3.84Å; I47-L54 HydrophobicContact CG2-CG 4.28Å; I47-L54 PolarHBondContact O-N 3.15Å; I47-V72 HydrophobicContact CG2-CB 4.21Å; I47-V72 HydrophobicContact CG2-CG2 4.47Å; I47-V73 CarbonylContact C-O 3.6Å; I47-V73 WeakPolarHBondContact CA-O 3.42Å
48T88.4Confident83.7Confident29 Ų2965.6 Ų65.618%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-124.3130.4177.7-53.20000109.8Q52 V73T48-Q52 WeakPolarHBondContact CA-O 3.38Å; T48-V73 PolarHBondContact N-O 3.33Å; T48-V73 PolarHBondContact O-N 3.49Å
49Y88.4Confident83.8Confident32 Ų3270 Ų7013%0.12539%0.394CS..EExtended strand (participates in β ladder)trans-129.3127.8175175-111.9000109E51 Q52 G65 V66 D70 V72Y49-E51 VanDerWaalsContact C-N 3.31Å; Y49-E51 PolarHBondContact O-N 2.95Å; Y49-Q52 PolarHBondContact N-O 3.44Å; Y49-Q52 PolarHBondContact O-N 2.99Å; Y49-G65 PolarHBondContact OH-O 3.43Å; Y49-G65 VanDerWaalsContact OH-O 3.06Å; Y49-V66 HydrophobicContact CD1-CG2 3.73Å; Y49-V66 HydrophobicContact CD2-CG2 4.2Å; Y49-V66 HydrophobicContact CE1-CB 4.5Å; Y49-V66 HydrophobicContact CE1-CG2 3.96Å; Y49-V66 HydrophobicContact CE2-CG2 4.4Å; Y49-V66 HydrophobicContact CG-CG2 3.85Å; Y49-D70 HydrophobicContact CE2-CB 3.82Å; Y49-D70 PolarHBondContact OH-OD2 3.46Å; Y49-V72 HydrophobicContact CD2-CG1 3.82Å; Y49-V72 HydrophobicContact CG-CG1 4.29Å
50V85.2Confident84.2Confident109 Ų10968.6 Ų68.666%0.66138%0.378SS*.THydrogen-bonded Turntrans48.851.9-175.7-165.90000111.7Q52V50-Q52 PolarHBondContact O-N 3.41Å
51E76.4Confident84.4Confident188 Ų18868.3 Ų68.388%0.87938%0.376SS*.THydrogen-bonded Turntrans60.66-178.1-54.3-173154.600115.8Y49Y49-E51 VanDerWaalsContact C-N 3.31Å; Y49-E51 PolarHBondContact O-N 2.95Å
52Q80.3Confident84.4Confident144 Ų14467 Ų6767%0.67337%0.374SS*.EExtended strand (participates in β ladder)trans-106124.1176.8-62.8-151.33.700111.9T48 Y49 V50 L54T48-Q52 WeakPolarHBondContact CA-O 3.38Å; Y49-Q52 PolarHBondContact N-O 3.44Å; Y49-Q52 PolarHBondContact O-N 2.99Å; V50-Q52 PolarHBondContact O-N 3.41Å; Q52-L54 PolarHBondContact O-N 3.46Å
53P85.4Confident84.7Confident48 Ų4869.1 Ų69.131%0.31238%0.383SS..EExtended strand (participates in β ladder)trans-70.9129.6174.528.2-33.4000110.4I47 K55I47-P53 WeakPolarHBondContact O-CA 3.42Å; P53-K55 PolarHBondContact O-N 2.93Å
54L87.4Confident84.9Confident16 Ų1667.6 Ų67.68%0.08435%0.353CS..  trans-78.5118.2174.5-48.7-171.7000108L27 I47 Q52 L61 Y64L27-L54 HydrophobicContact CD1-CB 3.69Å; L27-L54 HydrophobicContact CD1-CD1 3.73Å; L27-L54 HydrophobicContact CD1-CG 4.37Å; L27-L54 HydrophobicContact CD2-CB 3.55Å; L27-L54 HydrophobicContact CG-CB 4.28Å; I47-L54 HydrophobicContact CB-CD1 4.43Å; I47-L54 HydrophobicContact CG2-CD1 3.84Å; I47-L54 HydrophobicContact CG2-CG 4.28Å; I47-L54 PolarHBondContact O-N 3.15Å; Q52-L54 PolarHBondContact O-N 3.46Å; L54-L61 HydrophobicContact CD1-CD2 4.34Å; L54-Y64 HydrophobicContact CB-CE1 4.5Å; L54-Y64 HydrophobicContact CB-CE2 4.43Å; L54-Y64 HydrophobicContact CD1-CD2 4.42Å; L54-Y64 HydrophobicContact CD2-CD1 3.49Å; L54-Y64 VanDerWaalsContact CD2-CD1 3.49Å; L54-Y64 HydrophobicContact CD2-CD2 4.2Å; L54-Y64 HydrophobicContact CD2-CE1 3.92Å; L54-Y64 HydrophobicContact CD2-CG 3.61Å
55K80.8Confident84.8Confident169 Ų16966.5 Ų66.574%0.73536%0.357SS*.  trans-118.7-24.4-169.2-70.3-179.9176.1173.80115.3P53 P57P53-K55 PolarHBondContact O-N 2.93Å; K55-P57 WeakPolarHBondContact O-CD 3.36Å
56D84.3Confident84.9Confident69 Ų6965.8 Ų65.837%0.36935%0.353SS..  trans-94108.8-176.2-174.9-15.9000108.7L27 T58 R59 Y64L27-D56 WeakPolarHBondContact CB-O 3.47Å; L27-D56 WeakPolarHBondContact CD2-O 3.27Å; D56-T58 PolarHBondContact O-N 2.7Å; D56-T58 PolarHBondContact OD1-N 3Å; D56-T58 PolarHBondContact OD1-OG1 3.17Å; D56-R59 HydrophobicContact CB-CB 4.03Å; D56-R59 PolarHBondContact O-N 3.5Å; D56-Y64 WeakPolarHBondContact CA-OH 3.32Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.33Å; D56-Y64 PolarHBondContact N-OH 3.43Å; D56-Y64 PolarHBondContact O-OH 3.41Å
57P81.6Confident84.9Confident68 Ų6868.6 Ų68.644%0.44236%0.364SS..THydrogen-bonded Turntrans-65.5-20.9-17527-34.2000113.2L27 R28 K55L27-P57 PolarHBondContact N-O 2.82Å; R28-P57 HydrophobicContact CB-CB 4.09Å; R28-P57 WeakPolarHBondContact CB-O 3.48Å; R28-P57 PolarHBondContact N-O 3.17Å; K55-P57 WeakPolarHBondContact O-CD 3.36Å
58T83.9Confident84.8Confident93 Ų9374 Ų7457%0.57139%0.393SS*.THydrogen-bonded Turntrans-93.4-5.1-176.263.30000113.5D56D56-T58 PolarHBondContact O-N 2.7Å; D56-T58 PolarHBondContact OD1-N 3Å; D56-T58 PolarHBondContact OD1-OG1 3.17Å
59R84.8Confident84.6Confident105 Ų10574.9 Ų74.940%0.39641%0.409SS..SBendtrans-89.8135.1-177.2-176.3168.3175.2178.1-2.4110.8L27 D56 T63 Y64L27-R59 PolarHBondContact N-O 3.2Å; D56-R59 HydrophobicContact CB-CB 4.03Å; D56-R59 PolarHBondContact O-N 3.5Å; R59-T63 HydrophobicContact CG-CG2 4.27Å; R59-T63 VanDerWaalsContact NE-CG2 3.33Å; R59-T63 PolarHBondContact NH2-O 2.65Å; R59-Y64 HydrophobicContact CB-CD2 4.48Å; R59-Y64 HydrophobicContact CB-CE2 3.63Å; R59-Y64 HydrophobicContact CG-CD2 4.07Å; R59-Y64 HydrophobicContact CG-CE2 3.64Å
60A90Very high84.6Confident20 Ų2075.4 Ų75.417%0.16541%0.413CS..BIsolated β-bridgetrans-69.1145.9178.700000112.9E24 L25 G62 T63 Y64E24-A60 WeakPolarHBondContact O-CB 3.47Å; L25-A60 CarbonylContact O-C 3.15Å; L25-A60 VanDerWaalsContact O-CA 3.27Å; L25-A60 WeakPolarHBondContact O-CA 3.49Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 3.01Å; A60-T63 WeakPolarHBondContact O-CB 3.46Å; A60-T63 PolarHBondContact O-N 3.15Å; A60-Y64 WeakPolarHBondContact O-CD2 3.32Å; A60-Y64 PolarHBondContact O-N 3.45Å
61L86.5Confident84.6Confident1 Ų174.2 Ų74.21%0.00541%0.406CS..G310 helixtrans-57.6-40.7-179.4-66.7175.2000113.1M1 V21 L25 L27 F30 L54 T63 Y64 G65 V66M1-L61 HydrophobicContact CE-CB 3.63Å; M1-L61 HydrophobicContact CE-CD1 3.84Å; M1-L61 HydrophobicContact CE-CG 4.43Å; V21-L61 HydrophobicContact CG2-CD1 3.96Å; L25-L61 HydrophobicContact CB-CD1 4.27Å; L25-L61 HydrophobicContact CD2-CD1 4.36Å; L25-L61 WeakPolarHBondContact O-CG 3.31Å; L25-L61 PolarHBondContact O-N 2.95Å; L27-L61 HydrophobicContact CD1-CD2 4.27Å; F30-L61 HydrophobicContact CB-CD1 3.91Å; F30-L61 HydrophobicContact CB-CD2 4.06Å; F30-L61 HydrophobicContact CB-CG 4.26Å; F30-L61 HydrophobicContact CD1-CD1 4.18Å; F30-L61 HydrophobicContact CD1-CD2 3.72Å; F30-L61 HydrophobicContact CD2-CD1 3.5Å; F30-L61 VanDerWaalsContact CD2-CD1 3.5Å; F30-L61 HydrophobicContact CE1-CD2 4.3Å; F30-L61 HydrophobicContact CE2-CD1 4Å; F30-L61 HydrophobicContact CG-CD1 3.59Å; F30-L61 HydrophobicContact CG-CD2 3.86Å; F30-L61 HydrophobicContact CG-CG 4.23Å; L54-L61 HydrophobicContact CD1-CD2 4.34Å; L61-T63 PolarHBondContact O-N 3.04Å; L61-Y64 WeakPolarHBondContact O-CA 3.26Å; L61-Y64 WeakPolarHBondContact O-CB 3.36Å; L61-Y64 PolarHBondContact O-N 3.34Å; L61-G65 PolarHBondContact O-N 3Å; L61-V66 HydrophobicContact CB-CB 4.4Å; L61-V66 PolarHBondContact O-N 3.48Å
62G83.7Confident85.3Confident34 Ų3465.3 Ų65.335%0.35136%0.364SS..G310 helixtrans-63.1-28.6176.700000112.7P23 A60 Y64 G65P23-G62 WeakPolarHBondContact O-CA 3.33Å; P23-G62 PolarHBondContact O-N 3.46Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 3.01Å; G62-Y64 VanDerWaalsContact C-N 3.28Å; G62-Y64 PolarHBondContact O-N 3.28Å; G62-G65 PolarHBondContact O-N 2.78Å
63T86.4Confident85.6Confident84 Ų8461 Ų6152%0.51535%0.348SS..G310 helixtrans-75.8-17.5175-41.20000112.4R59 A60 L61 G65R59-T63 HydrophobicContact CG-CG2 4.27Å; R59-T63 VanDerWaalsContact NE-CG2 3.33Å; R59-T63 PolarHBondContact NH2-O 2.65Å; A60-T63 WeakPolarHBondContact O-CB 3.46Å; A60-T63 PolarHBondContact O-N 3.15Å; L61-T63 PolarHBondContact O-N 3.04Å; T63-G65 VanDerWaalsContact C-N 3.27Å
64Y82.7Confident85.8Confident46 Ų4658.7 Ų58.718%0.1833%0.333CS..G310 helixtrans-83.8-3.5167-73.1-70000113.1L27 L54 D56 R59 A60 L61 G62L27-Y64 HydrophobicContact CB-CE2 4.38Å; L27-Y64 HydrophobicContact CD2-CE2 4.32Å; L54-Y64 HydrophobicContact CB-CE1 4.5Å; L54-Y64 HydrophobicContact CB-CE2 4.43Å; L54-Y64 HydrophobicContact CD1-CD2 4.42Å; L54-Y64 HydrophobicContact CD2-CD1 3.49Å; L54-Y64 VanDerWaalsContact CD2-CD1 3.49Å; L54-Y64 HydrophobicContact CD2-CD2 4.2Å; L54-Y64 HydrophobicContact CD2-CE1 3.92Å; L54-Y64 HydrophobicContact CD2-CG 3.61Å; D56-Y64 WeakPolarHBondContact CA-OH 3.32Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.33Å; D56-Y64 PolarHBondContact N-OH 3.43Å; D56-Y64 PolarHBondContact O-OH 3.41Å; R59-Y64 HydrophobicContact CB-CD2 4.48Å; R59-Y64 HydrophobicContact CB-CE2 3.63Å; R59-Y64 HydrophobicContact CG-CD2 4.07Å; R59-Y64 HydrophobicContact CG-CE2 3.64Å; A60-Y64 WeakPolarHBondContact O-CD2 3.32Å; A60-Y64 PolarHBondContact O-N 3.45Å; L61-Y64 WeakPolarHBondContact O-CA 3.26Å; L61-Y64 WeakPolarHBondContact O-CB 3.36Å; L61-Y64 PolarHBondContact O-N 3.34Å; G62-Y64 VanDerWaalsContact C-N 3.28Å; G62-Y64 PolarHBondContact O-N 3.28Å
65G83.2Confident85.7Confident32 Ų3265.3 Ų65.333%0.3336%0.357SS..THydrogen-bonded Turntrans87.26.9178.100000114.3Y49 L61 G62 T63 K67Y49-G65 PolarHBondContact OH-O 3.43Å; Y49-G65 VanDerWaalsContact OH-O 3.06Å; L61-G65 PolarHBondContact O-N 3Å; G62-G65 PolarHBondContact O-N 2.78Å; T63-G65 VanDerWaalsContact C-N 3.27Å; G65-K67 PolarHBondContact O-N 2.93Å
66V88Confident85.9Confident5 Ų559.4 Ų59.43%0.0333%0.332CS..  trans-65.4128.5176.5-175.40000109.5M1 V3 Y49 L61 D70 V72M1-V66 HydrophobicContact CE-CB 4.2Å; M1-V66 HydrophobicContact CE-CG1 3.92Å; M1-V66 HydrophobicContact SD-CG1 4.45Å; V3-V66 HydrophobicContact CG1-CG1 4.21Å; V3-V66 HydrophobicContact CG2-CG1 3.76Å; Y49-V66 HydrophobicContact CD1-CG2 3.73Å; Y49-V66 HydrophobicContact CD2-CG2 4.2Å; Y49-V66 HydrophobicContact CE1-CB 4.5Å; Y49-V66 HydrophobicContact CE1-CG2 3.96Å; Y49-V66 HydrophobicContact CE2-CG2 4.4Å; Y49-V66 HydrophobicContact CG-CG2 3.85Å; L61-V66 HydrophobicContact CB-CB 4.4Å; L61-V66 PolarHBondContact O-N 3.48Å; V66-D70 HydrophobicContact CG1-CB 4.41Å; V66-V72 HydrophobicContact CG1-CG1 4.43Å; V66-V72 HydrophobicContact CG2-CG1 4.5Å
67K87Confident85.5Confident144 Ų14457.8 Ų57.863%0.62633%0.328SS*.  trans-118.7170.7-179.4-62.2179.1-174.6178.70111.7G65 G69 D70G65-K67 PolarHBondContact O-N 2.93Å; K67-G69 PolarHBondContact O-N 2.99Å; K67-D70 WeakPolarHBondContact CB-OD2 3.27Å; K67-D70 PolarHBondContact N-OD2 2.67Å; K67-D70 WeakPolarHBondContact O-CB 3.09Å; K67-D70 PolarHBondContact O-N 2.99Å
68D87.4Confident84.8Confident117 Ų11759.9 Ų59.963%0.62634%0.335SS*.THydrogen-bonded Turntrans-59.9126.7172.5-167.269.5000111.2M1 L2M1-D68 WeakPolarHBondContact CA-OD1 3.4Å; M1-D68 HydrophobicContact CB-CB 4.09Å; L2-D68 PolarHBondContact N-OD1 3.45Å
69G82.6Confident83.3Confident49 Ų4966 Ų6651%0.50535%0.348SS..THydrogen-bonded Turntrans88.20.4-178.300000115.3L2 K67L2-G69 WeakPolarHBondContact O-CA 3.27Å; L2-G69 PolarHBondContact O-N 3.41Å; K67-G69 PolarHBondContact O-N 2.99Å
70D88Confident81.3Confident43 Ų4372 Ų7223%0.2337%0.371CS..  trans-77.5153.7-178.4-80.5-20.2000113.4T4 Y49 V66 K67T4-D70 PolarHBondContact N-O 3.46Å; Y49-D70 HydrophobicContact CE2-CB 3.82Å; Y49-D70 PolarHBondContact OH-OD2 3.46Å; V66-D70 HydrophobicContact CG1-CB 4.41Å; K67-D70 WeakPolarHBondContact CB-OD2 3.27Å; K67-D70 PolarHBondContact N-OD2 2.67Å; K67-D70 WeakPolarHBondContact O-CB 3.09Å; K67-D70 PolarHBondContact O-N 2.99Å
71V86.6Confident78.8Confident83 Ų8376.5 Ų76.550%0.50340%0.398SS..EExtended strand (participates in β ladder)trans-103.8127.1175.7-172.80000110.2T4 F6T4-V71 HydrophobicContact CG2-CG2 4.44Å; T4-V71 CarbonylContact O-C 3.54Å; T4-V71 WeakPolarHBondContact O-CA 3.25Å; F6-V71 HydrophobicContact CB-CG1 4.09Å
72V90.3Very high76.4Confident1 Ų182.5 Ų82.51%0.00644%0.437CS..EExtended strand (participates in β ladder)trans-110.5144.8171.5-60.10000109.9V3 T4 V5 F6 F30 I47 Y49 V66V3-V72 HydrophobicContact CG1-CB 4.41Å; V3-V72 HydrophobicContact CG1-CG1 3.79Å; V3-V72 HydrophobicContact CG1-CG2 3.78Å; T4-V72 PolarHBondContact O-N 2.89Å; V5-V72 WeakPolarHBondContact CA-O 3.49Å; V5-V72 HydrophobicContact CB-CG2 4.17Å; V5-V72 HydrophobicContact CG1-CG2 4.2Å; V5-V72 HydrophobicContact CG2-CG2 3.73Å; F6-V72 PolarHBondContact N-O 2.97Å; F30-V72 HydrophobicContact CE1-CG2 4.11Å; F30-V72 HydrophobicContact CZ-CG2 4.01Å; I47-V72 HydrophobicContact CG2-CB 4.21Å; I47-V72 HydrophobicContact CG2-CG2 4.47Å; Y49-V72 HydrophobicContact CD2-CG1 3.82Å; Y49-V72 HydrophobicContact CG-CG1 4.29Å; V66-V72 HydrophobicContact CG1-CG1 4.43Å; V66-V72 HydrophobicContact CG2-CG1 4.5Å
73V88.1Confident73.9Confident53 Ų5390.3 Ų90.332%0.32147%0.465SS..EExtended strand (participates in β ladder)trans-101.8123.2-179.7-179.50000109.4F6 I47 T48 R75F6-V73 HydrophobicContact CD1-CG1 4.38Å; F6-V73 WeakPolarHBondContact O-CA 3.21Å; I47-V73 CarbonylContact C-O 3.6Å; I47-V73 WeakPolarHBondContact CA-O 3.42Å; T48-V73 PolarHBondContact N-O 3.33Å; T48-V73 PolarHBondContact O-N 3.49Å; V73-R75 HydrophobicContact CG1-CG 3.98Å
74L89.6Confident71.3Confident0 Ų093.1 Ų93.10%048%0.482CS..EExtended strand (participates in β ladder)trans-102.7122.9174-171.2162.6000109.4V5 F6 C7 A8 C34 I40 I45V5-L74 HydrophobicContact CG1-CB 3.76Å; V5-L74 HydrophobicContact CG1-CD1 4.11Å; F6-L74 PolarHBondContact O-N 2.91Å; C7-L74 HydrophobicContact CB-CB 4.39Å; A8-L74 PolarHBondContact N-O 3.32Å; C34-L74 HydrophobicContact CB-CD1 3.55Å; I40-L74 HydrophobicContact CD1-CD2 3.54Å; I45-L74 HydrophobicContact CD1-CD1 4.25Å; I45-L74 HydrophobicContact CG1-CD1 4.45Å; I45-L74 HydrophobicContact CG1-CD2 4.36Å; I45-L74 HydrophobicContact CG2-CD1 4.09Å; I45-L74 HydrophobicContact CG2-CD2 4.48Å; I45-L74 HydrophobicContact CG2-CG 4Å
75R84.5Confident68.8Low155 Ų15599.9 Ų99.959%0.58552%0.515SS*.EExtended strand (participates in β ladder)trans-121.8147.1174.4-56.7-170.176.6161.34.6111.1Q46 V73Q46-R75 PolarHBondContact N-O 3.19Å; Q46-R75 PolarHBondContact O-N 2.89Å; V73-R75 HydrophobicContact CG1-CG 3.98Å
76Q84.3Confident66.5Low45 Ų45104.4 Ų104.421%0.2154%0.539CS..EExtended strand (participates in β ladder)trans-89.6121.3173.7-168.1176.89.800111.1R10 I40 E44R10-Q76 HydrophobicContact CG-CB 4.48Å; R10-Q76 PolarHBondContact NE-O 2.85Å; I40-Q76 HydrophobicContact CD1-CB 4.3Å; I40-Q76 HydrophobicContact CG2-CB 4.28Å; I40-Q76 HydrophobicContact CG2-CG 3.81Å; E44-Q76 HydrophobicContact CB-CG 4.08Å; E44-Q76 CarbonylContact O-C 3.12Å; E44-Q76 WeakPolarHBondContact O-CA 3.37Å; E44-Q76 PolarHBondContact OE2-NE2 3.46Å
77A76.4Confident63.6Low35 Ų35109 Ų10929%0.28958%0.577SS.*PPolyproline II helixtrans-102.9152.9-178.400000113E44 Q46E44-A77 PolarHBondContact O-N 2.89Å; Q46-A77 HydrophobicContact CB-CB 4.5Å
78D66.4Low60.8Low112 Ų112111.9 Ų111.960%0.59959%0.59SS**PPolyproline II helixtrans-71134.3176.2-71.9-50.6000112.2R10 R80R10-D78 IonicContact CZ-OD1 3.84Å; R10-D78 VanDerWaalsContact CZ-OD1 3.31Å; R10-D78 IonicContact CZ-OD2 3.84Å; R10-D78 VanDerWaalsContact NH1-CG 3.28Å; R10-D78 IonicContact NH1-OD1 3.4Å; R10-D78 PolarHBondContact NH1-OD1 2.81Å; R10-D78 IonicContact NH1-OD2 3.83Å; R10-D78 PolarHBondContact NH1-OD2 2.96Å; R10-D78 IonicContact NH2-OD1 3.81Å; R10-D78 PolarHBondContact NH2-OD1 2.85Å; R10-D78 IonicContact NH2-OD2 2.73Å; R10-D78 PolarHBondContact NH2-OD2 2.9Å; D78-R80 PolarHBondContact O-N 2.8Å; D78-R80 VanDerWaalsContact O-N 3.15Å
79R52.2Low58.1Low221 Ų221112.4 Ų112.483%0.83460%0.6SS**  trans-59.3110.8179.2-162.7177.3179.8-172.71.4111.5
80R44.1Very low55.7Low232 Ų232113.3 Ų113.388%0.87561%0.609SS**PPolyproline II helixtrans-95.7131.1169.7-96.8-170.6-90.6-175.2-7.6111.4D78D78-R80 PolarHBondContact O-N 2.8Å; D78-R80 VanDerWaalsContact O-N 3.15Å
81P37.6Very low53.1Low115 Ų115119.5 Ų119.575%0.74764%0.642SS**PPolyproline II helixtrans-76.3147.4173.428.6-30.8000112.1
82P34.9Very low50.6Low126 Ų126121.4 Ų121.482%0.81866%0.656SS**PPolyproline II helixtrans-76.1147.3-178.928.9-32.9000113.6
83Q31.5Very low48.3Very low198 Ų198133.4 Ų133.493%0.92570%0.701SS**PPolyproline II helixtrans-81.1135.2177.8-76.4176.2-32.500112.6
84T31.8Very low46.1Very low143 Ų143137.4 Ų137.488%0.87772%0.719SS**  trans-104.2133.617344.30000112.5
85Q30.8Very low43.8Very low188 Ų188142.9 Ų142.988%0.87975%0.748SS**  trans-84.1157.8168.9-76.2-176.4-11.400112.1
86P35.3Very low41.6Very low128 Ų128143.3 Ų143.383%0.83176%0.755SS**  trans-92.3150.2-168.935.5-32.5000114.3
87A27.2Very low39.7Very low100 Ų100152.2 Ų152.283%0.82679%0.786SS**  trans-109.7147.3171.100000111.9
88F27.3Very low37.9Very low205 Ų205155.2 Ų155.290%0.89981%0.805SS**  trans-67.9155.8-174.4-73.6-94.4000114.8
89P30.3Very low36.8Very low128 Ų128156.3 Ų156.383%0.83181%0.81SS**  trans-93.8136.8-178.734.9-30.2000113.3
90G33.5Very low36.1Very low69 Ų69152.4 Ų152.471%0.71181%0.81SS**  trans140.588.4158.300000115.7
91L32Very low35.8Very low173 Ų173145.2 Ų145.291%0.90679%0.792SS**  trans130.8120.7152.8-72.8162.1000113
92P34.4Very low35.4Very low123 Ų123145.9 Ų145.980%0.79980%0.797SS**PPolyproline II helixtrans-88.6126.4167.431.8-27.3000111.5
93R41.8Very low35.3Very low252 Ų252143.3 Ų143.395%0.95179%0.793SS**PPolyproline II helixtrans-96131.3154.2-85177.892.4164.85.5107.6
94I41.9Very low35.4Very low137 Ų137140.6 Ų140.670%0.70379%0.79SS**PPolyproline II helixtrans-87.4132.3174.1-58172.4000108.5F96I94-F96 HydrophobicContact CB-CE2 4.38Å; I94-F96 HydrophobicContact CG2-CD2 4.11Å; I94-F96 HydrophobicContact CG2-CE1 4.45Å; I94-F96 HydrophobicContact CG2-CE2 3.57Å; I94-F96 HydrophobicContact CG2-CZ 3.77Å
95D40.8Very low35.5Very low115 Ų115139.7 Ų139.762%0.61579%0.79SS**  trans-117.9129.3175.6-173.7-4.1000109.5R97D95-R97 PolarHBondContact OD1-N 3.49Å
96F38.9Very low35.3Very low164 Ų164135.6 Ų135.672%0.71978%0.782SS**  trans-102.613.9-173.2-74.9-84.1000113.8I94 S98I94-F96 HydrophobicContact CB-CE2 4.38Å; I94-F96 HydrophobicContact CG2-CD2 4.11Å; I94-F96 HydrophobicContact CG2-CE1 4.45Å; I94-F96 HydrophobicContact CG2-CE2 3.57Å; I94-F96 HydrophobicContact CG2-CZ 3.77Å; F96-S98 PolarHBondContact O-N 3.31Å
97R43.7Very low35Very low233 Ų233135.4 Ų135.488%0.87978%0.783SS**THydrogen-bonded Turntrans-81.8-0.7178.6-80.1179.3158.2165.1-5.2115.9D95D95-R97 PolarHBondContact OD1-N 3.49Å
98S40Very low35.2Very low98 Ų98136.5 Ų136.569%0.68578%0.782SS**THydrogen-bonded Turntrans-109.215.2-170.655.30000116F96 T100F96-S98 PolarHBondContact O-N 3.31Å; S98-T100 PolarHBondContact O-N 3.04Å
99I43.5Very low35.2Very low135 Ų135133.9 Ų133.969%0.69278%0.778SS**  trans-96.788.5173.8-54.8175.7000109.4
100T37.2Very low35.3Very low138 Ų138137 Ų13785%0.84778%0.781SS**  trans-88.6141.2168.6210000111S98S98-T100 PolarHBondContact O-N 3.04Å
101V37Very low35Very low82 Ų82141.8 Ų141.850%0.49778%0.784SS.*  trans-130.7131.7174.8-160.10000108.5
102P28.7Very low34.8Very low129 Ų129139.6 Ų139.684%0.83878%0.783SS**  trans-80.2143.8177.6-9.826.5000112.9
103G34.4Very low34.5Very low72 Ų72138.4 Ų138.474%0.74278%0.784SS**  trans111.481.916100000115.5
104T32.4Very low34.2Very low141 Ų141132 Ų13287%0.86578%0.776SS**  trans-165.8134.9134.339.80000108.3
105S34Very low33.5Very low124 Ų124134.5 Ų134.587%0.86778%0.784SS**  trans-74.1120.2174.530.40000110.7
106S27.3Very low33.1Very low102 Ų102134.4 Ų134.471%0.71379%0.79SS**  trans-166.4110.9151.657.50000109.4
107S28.8Very low32.7Very low124 Ų124138.4 Ų138.487%0.86780%0.8SS**  trans-60.4145.2168.1-47.60000110.8
108P32.2Very low32.1Very low123 Ų123136.4 Ų136.480%0.79980%0.801SS**  trans-119.5122.6143.624.9-9.5000110.8
109N27Very low31.6Very low150 Ų150141.2 Ų141.280%0.80281%0.812SS**  trans-39.8133.5161.2-112.2-11000112.3
110Q30.9Very low30.9Very low193 Ų193139.2 Ų139.290%0.90282%0.816SS**  trans-146135.7144-118.4176.780.700111.5
111H27.3Very low30.9Very low169 Ų169138.3 Ų138.378%0.78281%0.813SS**  trans-63.6147-166.2-66.9-68.4000114.9
112S28.3Very low30.7Very low127 Ų127143 Ų14389%0.88883%0.829SS**  trans-148.7123.6145.5-68.70000109.5
113A29.2Very low30.9Very low99 Ų99145.8 Ų145.882%0.81883%0.831SS**  trans-80.4168.2-179.500000111.4
114P34.6Very low30.9Very low118 Ų118149.5 Ų149.577%0.76683%0.829SS**  trans-105.5163.4-14239.2-36.4000114.7
115Q28.4Very low31Very low189 Ų189150.3 Ų150.388%0.88382%0.823SS**  trans-176.6163.8135.9-106.6-178.6-200113.8
116P32.3Very low30.9Very low112 Ų112150.9 Ų150.973%0.72782%0.824SS**  -112.3154.1-118.138.6-26.3000113.2
117R28.9Very low31.3Very low249 Ų249153.9 Ų153.994%0.9483%0.826SS**  trans-134.2124.1157.8-85.8-169.1166.9-167.7-3.8111.9
118Q31Very low31.4Very low191 Ų191153.4 Ų153.489%0.89382%0.82SS**  trans-55.4140.8163.5-66.9162.3-21.800110.2
119Q30.1Very low31.6Very low198 Ų198153.3 Ų153.393%0.92582%0.82SS**  trans-150.1133.6150-108.6168.517.900111
120A29.6Very low31.9Very low93 Ų93151.8 Ų151.877%0.76982%0.818SS**  trans-97.4160.9162.900000108.6
121P37Very low32.1Very low120 Ų120148.7 Ų148.778%0.77981%0.814SS**  trans-102.1149.7-157.737-30.7000113.5
122Q32.8Very low32.4Very low181 Ų181145.2 Ų145.285%0.84680%0.798SS**  trans-161.4104.4157.2-116.7164.718.700115.2
123Q32.8Very low32.6Very low187 Ų187145.1 Ų145.187%0.87480%0.795SS**  52106.8128.4-68.1175.4-700120.7
124Q33.1Very low32.7Very low150 Ų150151.6 Ų151.670%0.70180%0.798SS**PPolyproline II helixtrans-78.7140.5168.9-75.5166.4-3.900113.6E245Q124-E245 PolarHBondContact NE2-OE2 2.87Å
125Q35Very low32.6Very low158 Ų158152 Ų15274%0.73880%0.801SS**PPolyproline II helixtrans-87.4160.4160.2-70171.7-2800110.4
126P33Very low32.7Very low136 Ų136149.1 Ų149.188%0.88380%0.796SS**PPolyproline II helixtrans-86.9116.7161.57.211.2000110.9
127Q34.1Very low32.5Very low165 Ų165152.4 Ų152.477%0.77180%0.802SS**  trans-124.9155.1168.1-93.8-167.4-17.600110.6
128P32.4Very low32.5Very low113 Ų113146.4 Ų146.473%0.73480%0.795SS**PPolyproline II helixtrans-74.5158.4-169.130.8-35.3000113.7
129P35.1Very low32.3Very low122 Ų122142.8 Ų142.879%0.79279%0.791SS**PPolyproline II helixtrans-73.7148.1-170.428.9-33.8000113.4
130P34.4Very low32.2Very low117 Ų117139.5 Ų139.576%0.7679%0.785SS**PPolyproline II helixtrans-80.9159.8178.131.6-33000113.6
131P34.1Very low32.1Very low128 Ų128140.5 Ų140.583%0.83178%0.783SS**PPolyproline II helixtrans-78.4137.2-179.529.7-32.5000113.2
132Q34.3Very low31.6Very low96 Ų96143.6 Ų143.645%0.44979%0.79SS.*PPolyproline II helixtrans-71.1141.8179.8-70.5166.8-1000113.5N234Q132-N234 VanDerWaalsContact NE2-CG 3.33Å; Q132-N234 PolarHBondContact NE2-ND2 2.9Å; Q132-N234 PolarHBondContact NE2-OD1 3.42Å
133P32.6Very low31.4Very low126 Ų126139.4 Ų139.482%0.81879%0.786SS**PPolyproline II helixtrans-77.3132.3173.728.6-30.4000112
134R31.7Very low31.1Very low234 Ų234139.9 Ų139.988%0.88379%0.786SS**PPolyproline II helixtrans-62.1140170-65.8178.6-160.7-165.42.9110.5T136R134-T136 PolarHBondContact O-N 3.44Å
135P31.7Very low31.1Very low126 Ų126144.6 Ų144.682%0.81880%0.797SS**PPolyproline II helixtrans-67.6125.9172.727.1-31.4000109.9Q137P135-Q137 PolarHBondContact O-N 3.37Å
136T30Very low30.7Very low129 Ų129139.7 Ų139.779%0.79179%0.789SS**PPolyproline II helixtrans-62.8127.5169.236.20000109.4R134 P138R134-T136 PolarHBondContact O-N 3.44Å; T136-P138 WeakPolarHBondContact O-CD 3.38Å
137Q28.4Very low30.4Very low182 Ų182138.1 Ų138.185%0.8578%0.781SS**PPolyproline II helixtrans-57.9124.5170.8-71.5-177.5-16.700109.6P135 S139P135-Q137 PolarHBondContact O-N 3.37Å; Q137-S139 PolarHBondContact O-N 2.83Å
138P29.9Very low30.2Very low122 Ų122134.9 Ų134.979%0.79278%0.777SS**PPolyproline II helixtrans-68.3122.2162.2-7.823.4000107.3T136 T140T136-P138 WeakPolarHBondContact O-CD 3.38Å; P138-T140 PolarHBondContact O-N 3.48Å; P138-T140 VanDerWaalsContact O-N 3.09Å
139S26.7Very low30.3Very low115 Ų115134 Ų13480%0.80477%0.771SS**PPolyproline II helixtrans-50.8117.4168.9-43.10000108.5Q137 P141Q137-S139 PolarHBondContact O-N 2.83Å; S139-P141 WeakPolarHBondContact O-CD 3.31Å
140T28.1Very low30.5Very low130 Ų130137.4 Ų137.480%0.79878%0.776SS**PPolyproline II helixtrans-55.5118170.331.40000108.4P138 M142P138-T140 PolarHBondContact O-N 3.48Å; P138-T140 VanDerWaalsContact O-N 3.09Å; T140-M142 PolarHBondContact O-N 3.29Å
141P26.6Very low30.8Very low114 Ų114133.7 Ų133.774%0.7476%0.759SS**PPolyproline II helixtrans-60.6126.6148.4-4.722000104.1S139 A143S139-P141 WeakPolarHBondContact O-CD 3.31Å; P141-A143 PolarHBondContact O-N 2.85Å
142M26.4Very low31.3Very low184 Ų184131.8 Ų131.891%0.90674%0.741SS**  trans-44.1114.3163.1-90-162.3163.900106.5T140 F144T140-M142 PolarHBondContact O-N 3.29Å; M142-F144 VanDerWaalsContact C-N 3.34Å; M142-F144 PolarHBondContact O-N 3.09Å
143A28.4Very low32.2Very low94 Ų94134.4 Ų134.478%0.77776%0.759SS**  trans-51.6110.3171.600000105.1P141 R145P141-A143 PolarHBondContact O-N 2.85Å; A143-R145 PolarHBondContact O-N 3.28Å
144F26.4Very low33.8Very low197 Ų197132.9 Ų132.986%0.86474%0.744SS**  trans-43.5117.6156-126.8-99.9000103.7M142 G146M142-F144 VanDerWaalsContact C-N 3.34Å; M142-F144 PolarHBondContact O-N 3.09Å; F144-G146 PolarHBondContact O-N 2.76Å
145R34Very low35.5Very low248 Ų248123.3 Ų123.394%0.93671%0.711SS**  trans-60.275.4153.8-85.9-174.2177.1-171.2-0105A143 S147A143-R145 PolarHBondContact O-N 3.28Å; R145-S147 PolarHBondContact O-N 2.91Å
146G26.4Very low37.4Very low55 Ų55119.2 Ų119.257%0.56769%0.688SS**  trans-67.697.3161.500000103.1F144 S148F144-G146 PolarHBondContact O-N 2.76Å; G146-S148 PolarHBondContact O-N 3.49Å
147S27.5Very low39.5Very low103 Ų103117.3 Ų117.372%0.7267%0.673SS**  trans-39.8115.715746.20000106.8R145 P149R145-S147 PolarHBondContact O-N 2.91Å; S147-P149 WeakPolarHBondContact O-CD 3.41Å
148S28.8Very low41.5Very low97 Ų97109.8 Ų109.868%0.67864%0.638SS**  trans-44.3118.8161.232.50000106.6G146 Q150G146-S148 PolarHBondContact O-N 3.49Å; S148-Q150 PolarHBondContact O-N 3.35Å
149P35.8Very low43.5Very low94 Ų94105.2 Ų105.261%0.6161%0.606SS**  trans-59119.6176.722.2-28.5000105.9S147 G151 L152S147-P149 WeakPolarHBondContact O-CD 3.41Å; P149-G151 PolarHBondContact O-N 2.95Å; P149-L152 HydrophobicContact CG-CD1 4.17Å
150Q37.9Very low45.8Very low195 Ų195106 Ų10691%0.91160%0.597SS**THydrogen-bonded Turntrans-66.650-171.3-74.5172.4-47.700113.2S148S148-Q150 PolarHBondContact O-N 3.35Å
151G40.7Very low48Very low38 Ų38103.7 Ų103.739%0.39258%0.578SS.*THydrogen-bonded Turntrans-1490.6-176.200000115.3P149P149-G151 PolarHBondContact O-N 2.95Å
152L45.7Very low50.3Low88 Ų8899.1 Ų99.146%0.46155%0.548SS..SBendtrans-92.8-3.1179-68.5169.1000114P149 N154 L158P149-L152 HydrophobicContact CG-CD1 4.17Å; L152-N154 VanDerWaalsContact C-N 3.3Å; L152-N154 PolarHBondContact O-N 2.81Å; L152-L158 HydrophobicContact CB-CD1 4.29Å; L152-L158 HydrophobicContact CD2-CD1 3.6Å
153D52.6Low52.7Low152 Ų15294.6 Ų94.681%0.81353%0.527SS*.SBendtrans-84-4.2-177.3-58.3-39.6000113.4P155D153-P155 WeakPolarHBondContact O-CD 3.24Å
154N66.6Low55.1Low94 Ų9494.3 Ų94.350%0.50352%0.519SS..  trans-105.2104.6-179.2-161.3-8.5000110.7L152 A156 L157 L158L152-N154 VanDerWaalsContact C-N 3.3Å; L152-N154 PolarHBondContact O-N 2.81Å; N154-A156 PolarHBondContact O-N 3.32Å; N154-L157 HydrophobicContact CB-CB 4.2Å; N154-L157 PolarHBondContact O-N 2.86Å; N154-L157 VanDerWaalsContact O-N 3.11Å; N154-L158 PolarHBondContact O-N 2.97Å; N154-L158 VanDerWaalsContact O-N 3.16Å
155P66.9Low57.7Low32 Ų3287.5 Ų87.521%0.20849%0.491CS..Hα-helixtrans-61.9-28.3-173.724.6-34.4000112.8D153 Q159 T192D153-P155 WeakPolarHBondContact O-CD 3.24Å; P155-Q159 WeakPolarHBondContact O-CB 3.44Å; P155-Q159 PolarHBondContact O-N 3.31Å; P155-T192 HydrophobicContact CB-CG2 3.97Å; P155-T192 WeakPolarHBondContact CB-OG1 3.4Å; P155-T192 HydrophobicContact CG-CG2 3.8Å
156A72.6Confident59.7Low40 Ų4080.5 Ų80.533%0.33148%0.478SS..Hα-helixtrans-68.9-39.517700000112.8N154 Q160 L188N154-A156 PolarHBondContact O-N 3.32Å; A156-Q160 WeakPolarHBondContact O-CB 3.39Å; A156-Q160 PolarHBondContact O-N 3.03Å; A156-Q160 VanDerWaalsContact O-N 3.09Å; A156-L188 HydrophobicContact CB-CD1 4.15Å; A156-L188 HydrophobicContact CB-CD2 4.24Å
157L73Confident62Low90 Ų9084.9 Ų84.947%0.47148%0.484SS..Hα-helixtrans-70.6-37.7177.3-175.364.2000110.9N154 Q160 M161N154-L157 HydrophobicContact CB-CB 4.2Å; N154-L157 PolarHBondContact O-N 2.86Å; N154-L157 VanDerWaalsContact O-N 3.11Å; L157-Q160 PolarHBondContact O-N 3.47Å; L157-M161 WeakPolarHBondContact O-CB 3.23Å; L157-M161 PolarHBondContact O-N 3.45Å
158L71.4Confident64.1Low23 Ų2383.2 Ų83.212%0.1246%0.464CS..Hα-helixtrans-69.1-39.5178.9-153.8132000111.6L152 N154 M161 L162 F191 L195L152-L158 HydrophobicContact CB-CD1 4.29Å; L152-L158 HydrophobicContact CD2-CD1 3.6Å; N154-L158 PolarHBondContact O-N 2.97Å; N154-L158 VanDerWaalsContact O-N 3.16Å; L158-M161 PolarHBondContact O-N 3.36Å; L158-L162 HydrophobicContact CD2-CD1 3.7Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CD1 3.34Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 3.31Å; L158-F191 HydrophobicContact CD2-CE1 4.41Å; L158-F191 HydrophobicContact CD2-CZ 3.97Å; L158-L195 HydrophobicContact CD2-CD1 4.28Å; L158-L195 HydrophobicContact CD2-CD2 4.16Å
159Q72.3Confident66.4Low26 Ų2679.8 Ų79.812%0.12144%0.439CS..Hα-helixtrans-59.3-48.1170.1173.917660.100111.1P155 M161 L162 L163 L183 L188 F191P155-Q159 WeakPolarHBondContact O-CB 3.44Å; P155-Q159 PolarHBondContact O-N 3.31Å; Q159-M161 PolarHBondContact O-N 2.9Å; Q159-L162 PolarHBondContact O-N 3.21Å; Q159-L163 HydrophobicContact CG-CD1 3.81Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 VanDerWaalsContact O-CG 3.27Å; Q159-L163 WeakPolarHBondContact O-CG 3.35Å; Q159-L163 PolarHBondContact O-N 2.79Å; Q159-L183 HydrophobicContact CB-CD1 3.97Å; Q159-L183 HydrophobicContact CG-CD1 3.67Å; Q159-L188 VanDerWaalsContact OE1-CD1 3.28Å; Q159-F191 HydrophobicContact CB-CD1 3.95Å; Q159-F191 HydrophobicContact CB-CE1 3.8Å; Q159-F191 HydrophobicContact CB-CZ 4.44Å
160Q74.5Confident68.4Low131 Ų13178.5 Ų78.561%0.61243%0.432SS*.Hα-helixtrans-63-41.9179.9-172.8175.42700112.1A156 L157 L163 S164A156-Q160 WeakPolarHBondContact O-CB 3.39Å; A156-Q160 PolarHBondContact O-N 3.03Å; A156-Q160 VanDerWaalsContact O-N 3.09Å; L157-Q160 PolarHBondContact O-N 3.47Å; Q160-L163 PolarHBondContact O-N 2.78Å; Q160-S164 VanDerWaalsContact O-CB 3.25Å; Q160-S164 WeakPolarHBondContact O-CB 3.33Å; Q160-S164 PolarHBondContact O-N 3.28Å; Q160-S164 PolarHBondContact O-OG 3Å
161M74.3Confident70.3Confident82 Ų8273.2 Ų73.240%0.40441%0.409SS..Hα-helixtrans-61.3-49177.3-173.6-175.674.300111.5L157 L158 Q159 L163 S164 N165L157-M161 WeakPolarHBondContact O-CB 3.23Å; L157-M161 PolarHBondContact O-N 3.45Å; L158-M161 PolarHBondContact O-N 3.36Å; Q159-M161 PolarHBondContact O-N 2.9Å; M161-L163 VanDerWaalsContact C-N 3.33Å; M161-L163 PolarHBondContact O-N 3.25Å; M161-S164 WeakPolarHBondContact CA-OG 3.24Å; M161-S164 PolarHBondContact O-N 2.65Å; M161-S164 VanDerWaalsContact O-N 3.12Å; M161-S164 PolarHBondContact O-OG 3.28Å; M161-N165 PolarHBondContact O-N 3.49Å; M161-N165 VanDerWaalsContact O-N 3.17Å
162L74.8Confident72Confident19 Ų1972.8 Ų72.810%0.09940%0.398CS..Hα-helixtrans-65.3-33.8178.9-72.2165.6000113L158 Q159 E168 L172 L183 F191L158-L162 HydrophobicContact CD2-CD1 3.7Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CD1 3.34Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 3.31Å; Q159-L162 PolarHBondContact O-N 3.21Å; L162-E168 HydrophobicContact CD2-CB 4.25Å; L162-L172 HydrophobicContact CD1-CD2 4.17Å; L162-L172 HydrophobicContact CD2-CD2 4.39Å; L162-L183 HydrophobicContact CB-CD1 4.15Å; L162-L183 HydrophobicContact CB-CD2 3.64Å; L162-L183 HydrophobicContact CD1-CD1 4.21Å; L162-L183 HydrophobicContact CD1-CD2 4.28Å; L162-F191 HydrophobicContact CD1-CE2 4.37Å; L162-F191 HydrophobicContact CD1-CZ 3.98Å
163L77.2Confident73.5Confident89 Ų8973.2 Ų73.247%0.46640%0.396SS..Hα-helixtrans-74.1-29.4173.9-70.8171.4000112.3Q159 Q160 M161 L169 L183Q159-L163 HydrophobicContact CG-CD1 3.81Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 VanDerWaalsContact O-CG 3.27Å; Q159-L163 WeakPolarHBondContact O-CG 3.35Å; Q159-L163 PolarHBondContact O-N 2.79Å; Q160-L163 PolarHBondContact O-N 2.78Å; M161-L163 VanDerWaalsContact C-N 3.33Å; M161-L163 PolarHBondContact O-N 3.25Å; L163-L169 HydrophobicContact CD2-CD1 4.02Å; L163-L183 HydrophobicContact CD2-CD2 4.37Å; L163-L183 HydrophobicContact CD2-CG 4.21Å; L163-L183 HydrophobicContact CG-CD1 4.39Å; L163-L183 HydrophobicContact CG-CG 4.34Å
164S78.9Confident74.6Confident87 Ų8773.2 Ų73.261%0.60839%0.391SS*.Hα-helixtrans-77.8-18.1179.170.90000114Q160 M161Q160-S164 VanDerWaalsContact O-CB 3.25Å; Q160-S164 WeakPolarHBondContact O-CB 3.33Å; Q160-S164 PolarHBondContact O-N 3.28Å; Q160-S164 PolarHBondContact O-OG 3Å; M161-S164 WeakPolarHBondContact CA-OG 3.24Å; M161-S164 PolarHBondContact O-N 2.65Å; M161-S164 VanDerWaalsContact O-N 3.12Å; M161-S164 PolarHBondContact O-OG 3.28Å
165N79.7Confident74.8Confident54 Ų5476 Ų7629%0.28939%0.394SS..  trans-115.2100.2178.7-168.8-13.3000112.1M161 H167 E168 L169M161-N165 PolarHBondContact O-N 3.49Å; M161-N165 VanDerWaalsContact O-N 3.17Å; N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 VanDerWaalsContact O-N 3.17Å; N165-H167 PolarHBondContact OD1-N 3.35Å; N165-E168 HydrophobicContact CB-CB 4.1Å; N165-E168 HydrophobicContact CB-CG 4.19Å; N165-E168 WeakPolarHBondContact ND2-CG 3.48Å; N165-E168 PolarHBondContact ND2-OE1 3Å; N165-E168 PolarHBondContact O-N 3.3Å; N165-L169 PolarHBondContact O-N 3.49Å; N165-L169 VanDerWaalsContact O-N 3.15Å
166P76.2Confident75.2Confident102 Ų10275.3 Ų75.366%0.66239%0.389SS*.Hα-helixtrans-59.6-28.7-178.9-23.132.3000114.3S170P166-S170 PolarHBondContact O-N 3.15Å; P166-S170 VanDerWaalsContact O-N 3.15Å
167H75.6Confident75.6Confident147 Ų14776.6 Ų76.668%0.68139%0.394SS*.Hα-helixtrans-73.9-41.8-179.7-171.860.7000111.7N165 L169 S170 L171N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 VanDerWaalsContact O-N 3.17Å; N165-H167 PolarHBondContact OD1-N 3.35Å; H167-L169 VanDerWaalsContact C-N 3.34Å; H167-S170 WeakPolarHBondContact O-CB 3.28Å; H167-S170 PolarHBondContact O-N 3.47Å; H167-L171 PolarHBondContact O-N 2.88Å; H167-L171 VanDerWaalsContact O-N 3.08Å
168E71.2Confident75.9Confident67 Ų6775.8 Ų75.831%0.31339%0.394SS..Hα-helixtrans-66.3-37.4175.1-75.5173.7-15800112L162 N165 S170 L171 L172L162-E168 HydrophobicContact CD2-CB 4.25Å; N165-E168 HydrophobicContact CB-CB 4.1Å; N165-E168 HydrophobicContact CB-CG 4.19Å; N165-E168 WeakPolarHBondContact ND2-CG 3.48Å; N165-E168 PolarHBondContact ND2-OE1 3Å; N165-E168 PolarHBondContact O-N 3.3Å; E168-S170 VanDerWaalsContact C-N 3.32Å; E168-S170 PolarHBondContact O-N 3.11Å; E168-L171 PolarHBondContact O-N 2.99Å; E168-L172 WeakPolarHBondContact O-CB 3.49Å; E168-L172 PolarHBondContact O-N 3.03Å
169L77.6Confident76.3Confident26 Ų2675.1 Ų75.114%0.13639%0.391CS..Hα-helixtrans-65.1-36.8175.4-169.1126.7000112.2L163 N165 H167 L172 K173 L183 L184L163-L169 HydrophobicContact CD2-CD1 4.02Å; N165-L169 PolarHBondContact O-N 3.49Å; N165-L169 VanDerWaalsContact O-N 3.15Å; H167-L169 VanDerWaalsContact C-N 3.34Å; L169-L172 PolarHBondContact O-N 3.24Å; L169-K173 HydrophobicContact CD2-CD 4.1Å; L169-K173 WeakPolarHBondContact O-CG 3.46Å; L169-K173 PolarHBondContact O-N 3.13Å; L169-L183 HydrophobicContact CD1-CD2 3.68Å; L169-L184 HydrophobicContact CD1-CD2 4.08Å; L169-L184 HydrophobicContact CD2-CD2 4.26Å
170S77.8Confident76.6Confident67 Ų6774 Ų7447%0.46939%0.386SS..Hα-helixtrans-64.5-45.6173.8-166.70000111.4P166 H167 E168 L172 K173 E174P166-S170 PolarHBondContact O-N 3.15Å; P166-S170 VanDerWaalsContact O-N 3.15Å; H167-S170 WeakPolarHBondContact O-CB 3.28Å; H167-S170 PolarHBondContact O-N 3.47Å; E168-S170 VanDerWaalsContact C-N 3.32Å; E168-S170 PolarHBondContact O-N 3.11Å; S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact O-N 3.36Å; S170-K173 PolarHBondContact O-N 2.9Å; S170-E174 PolarHBondContact O-N 3.21Å; S170-E174 VanDerWaalsContact O-N 3.14Å
171L76.4Confident77.1Confident84 Ų8473.6 Ų73.644%0.4438%0.384SS..Hα-helixtrans-65.4-36.8177.7-169.868.8000111.7H167 E168 E174 R175H167-L171 PolarHBondContact O-N 2.88Å; H167-L171 VanDerWaalsContact O-N 3.08Å; E168-L171 PolarHBondContact O-N 2.99Å; L171-E174 PolarHBondContact O-N 2.91Å; L171-R175 HydrophobicContact CD1-CG 4.16Å; L171-R175 HydrophobicContact CG-CG 4.36Å; L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 VanDerWaalsContact O-CG 3.29Å; L171-R175 WeakPolarHBondContact O-CG 3.17Å; L171-R175 PolarHBondContact O-N 3.46Å
172L76.6Confident77.4Confident28 Ų2869.7 Ų69.715%0.14737%0.365CS..Hα-helixtrans-66.4-42.1176.6-171.270.6000111.6L162 E168 L169 S170 E174 N176 L179 A180 L183L162-L172 HydrophobicContact CD1-CD2 4.17Å; L162-L172 HydrophobicContact CD2-CD2 4.39Å; E168-L172 WeakPolarHBondContact O-CB 3.49Å; E168-L172 PolarHBondContact O-N 3.03Å; L169-L172 PolarHBondContact O-N 3.24Å; S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact O-N 3.36Å; L172-E174 VanDerWaalsContact C-N 3.29Å; L172-E174 PolarHBondContact O-N 2.97Å; L172-N176 HydrophobicContact CD1-CB 4.15Å; L172-N176 CarbonylContact O-C 3.49Å; L172-N176 VanDerWaalsContact O-CA 3.32Å; L172-N176 WeakPolarHBondContact O-CA 3.48Å; L172-N176 PolarHBondContact O-N 3.37Å; L172-N176 VanDerWaalsContact O-O 3.1Å; L172-L179 HydrophobicContact CD1-CD2 4.04Å; L172-L179 HydrophobicContact CD1-CG 4.38Å; L172-L179 HydrophobicContact CD2-CG 4.47Å; L172-A180 HydrophobicContact CD2-CB 4.25Å; L172-A180 HydrophobicContact CG-CB 4.09Å; L172-L183 HydrophobicContact CD2-CD2 3.94Å
173K78Confident77.6Confident98 Ų9868.9 Ų68.943%0.42636%0.361SS..Hα-helixtrans-59.8-40.4174.8-78.9174172179.10112.5L169 S170 A180L169-K173 HydrophobicContact CD2-CD 4.1Å; L169-K173 WeakPolarHBondContact O-CG 3.46Å; L169-K173 PolarHBondContact O-N 3.13Å; S170-K173 PolarHBondContact O-N 2.9Å; K173-A180 HydrophobicContact CB-CB 4.31Å; K173-A180 HydrophobicContact CG-CB 3.72Å
174E75.8Confident77.8Confident152 Ų15268.9 Ų68.971%0.7136%0.361SS*.Hα-helixtrans-74.2-43-178.7-170.8179.7175.200112S170 L171 L172S170-E174 PolarHBondContact O-N 3.21Å; S170-E174 VanDerWaalsContact O-N 3.14Å; L171-E174 PolarHBondContact O-N 2.91Å; L172-E174 VanDerWaalsContact C-N 3.29Å; L172-E174 PolarHBondContact O-N 2.97Å
175R70Confident77.9Confident151 Ų15167.6 Ų67.657%0.5735%0.352SS*.Hα-helixtrans-93.5-18.9-172.2-57.9-163.582.615716.5114.2L171L171-R175 HydrophobicContact CD1-CG 4.16Å; L171-R175 HydrophobicContact CG-CG 4.36Å; L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 VanDerWaalsContact O-CG 3.29Å; L171-R175 WeakPolarHBondContact O-CG 3.17Å; L171-R175 PolarHBondContact O-N 3.46Å
176N75.3Confident77.6Confident18 Ų1868 Ų6810%0.09637%0.368CS..  trans-156.271.4-173.4-167.1-11.4000112.3L172 P178 L179 A180 Q198L172-N176 HydrophobicContact CD1-CB 4.15Å; L172-N176 CarbonylContact O-C 3.49Å; L172-N176 VanDerWaalsContact O-CA 3.32Å; L172-N176 WeakPolarHBondContact O-CA 3.48Å; L172-N176 PolarHBondContact O-N 3.37Å; L172-N176 VanDerWaalsContact O-O 3.1Å; N176-P178 VanDerWaalsContact C-CD 3.44Å; N176-L179 PolarHBondContact O-N 2.99Å; N176-A180 PolarHBondContact O-N 3.41Å; N176-A180 VanDerWaalsContact O-N 3.15Å; N176-Q198 PolarHBondContact ND2-NE2 3.06Å; N176-Q198 PolarHBondContact ND2-OE1 3.24Å; N176-Q198 PolarHBondContact OD1-NE2 3.15Å
177P81.6Confident77.9Confident67 Ų6766.6 Ų66.644%0.43536%0.356SS..Hα-helixtrans-53.5-42.9-177.4-20.528.6000114.6L179 A180 E181P177-L179 PolarHBondContact O-N 3.33Å; P177-A180 PolarHBondContact O-N 2.82Å; P177-E181 WeakPolarHBondContact O-CG 3.37Å; P177-E181 PolarHBondContact O-N 3.47Å
178P80.1Confident77.9Confident73 Ų7363 Ų6347%0.47434%0.341SS..Hα-helixtrans-62-38.6-178.3-24.434.2000114N176 A182N176-P178 VanDerWaalsContact C-CD 3.44Å; P178-A182 PolarHBondContact O-N 2.72Å
179L78.7Confident78.3Confident10 Ų1067.6 Ų67.65%0.05236%0.362CS..Hα-helixtrans-75.2-34.5178-174.859.5000111.3L172 N176 P177 L183 F191 V194 L195L172-L179 HydrophobicContact CD1-CD2 4.04Å; L172-L179 HydrophobicContact CD1-CG 4.38Å; L172-L179 HydrophobicContact CD2-CG 4.47Å; N176-L179 PolarHBondContact O-N 2.99Å; P177-L179 PolarHBondContact O-N 3.33Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3Å; L179-F191 HydrophobicContact CD1-CD2 3.82Å; L179-F191 HydrophobicContact CD1-CE2 3.54Å; L179-F191 HydrophobicContact CD1-CZ 4.38Å; L179-F191 HydrophobicContact CG-CE2 4.1Å; L179-V194 HydrophobicContact CB-CG1 4.24Å; L179-V194 HydrophobicContact CD1-CB 4.31Å; L179-V194 HydrophobicContact CD1-CG1 3.97Å; L179-L195 HydrophobicContact CD1-CB 4.04Å; L179-L195 HydrophobicContact CD1-CD1 4.11Å; L179-L195 HydrophobicContact CD2-CD1 3.82Å
180A79.4Confident78.4Confident3 Ų372.8 Ų72.83%0.02538%0.38CS..Hα-helixtrans-66.6-40.417500000112.4L172 K173 N176 P177 L183 L184L172-A180 HydrophobicContact CD2-CB 4.25Å; L172-A180 HydrophobicContact CG-CB 4.09Å; K173-A180 HydrophobicContact CB-CB 4.31Å; K173-A180 HydrophobicContact CG-CB 3.72Å; N176-A180 PolarHBondContact O-N 3.41Å; N176-A180 VanDerWaalsContact O-N 3.15Å; P177-A180 PolarHBondContact O-N 2.82Å; A180-L183 WeakPolarHBondContact O-CB 3.25Å; A180-L183 PolarHBondContact O-N 3.05Å; A180-L184 WeakPolarHBondContact O-CB 3.2Å; A180-L184 WeakPolarHBondContact O-CD1 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 3.18Å
181E83.1Confident78.5Confident121 Ų12169.6 Ų69.657%0.56536%0.358SS*.Hα-helixtrans-64.9-43.3175.1-74176.5-172.800111.9P177 L183 L184 S185P177-E181 WeakPolarHBondContact O-CG 3.37Å; P177-E181 PolarHBondContact O-N 3.47Å; E181-L183 VanDerWaalsContact C-N 3.29Å; E181-L183 PolarHBondContact O-N 2.8Å; E181-L184 PolarHBondContact O-N 3.32Å; E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.47Å
182A80.8Confident78.7Confident1 Ų167.8 Ų67.81%0.00835%0.35CS..Hα-helixtrans-61.5-39.6174.900000111.4P178 S185 R190 F191 V194P178-A182 PolarHBondContact O-N 2.72Å; A182-S185 PolarHBondContact O-OG 3.33Å; A182-R190 HydrophobicContact CB-CG 4.29Å; A182-F191 HydrophobicContact CB-CB 4.5Å; A182-V194 HydrophobicContact CB-CB 4.25Å; A182-V194 HydrophobicContact CB-CG2 4.06Å
183L80.2Confident79Confident1 Ų173.5 Ų73.51%0.00537%0.374CS..Hα-helixtrans-64.1-45.1175.8-17477.8000112.6Q159 L162 L163 L169 L172 L179 A180 E181 S185 F191Q159-L183 HydrophobicContact CB-CD1 3.97Å; Q159-L183 HydrophobicContact CG-CD1 3.67Å; L162-L183 HydrophobicContact CB-CD1 4.15Å; L162-L183 HydrophobicContact CB-CD2 3.64Å; L162-L183 HydrophobicContact CD1-CD1 4.21Å; L162-L183 HydrophobicContact CD1-CD2 4.28Å; L163-L183 HydrophobicContact CD2-CD2 4.37Å; L163-L183 HydrophobicContact CD2-CG 4.21Å; L163-L183 HydrophobicContact CG-CD1 4.39Å; L163-L183 HydrophobicContact CG-CG 4.34Å; L169-L183 HydrophobicContact CD1-CD2 3.68Å; L172-L183 HydrophobicContact CD2-CD2 3.94Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3Å; A180-L183 WeakPolarHBondContact O-CB 3.25Å; A180-L183 PolarHBondContact O-N 3.05Å; E181-L183 VanDerWaalsContact C-N 3.29Å; E181-L183 PolarHBondContact O-N 2.8Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-F191 HydrophobicContact CB-CD2 3.82Å; L183-F191 HydrophobicContact CB-CE2 3.91Å; L183-F191 HydrophobicContact CD1-CD2 3.77Å; L183-F191 HydrophobicContact CD1-CE1 4.38Å; L183-F191 HydrophobicContact CD1-CE2 3.43Å; L183-F191 VanDerWaalsContact CD1-CE2 3.43Å; L183-F191 HydrophobicContact CD1-CG 4.37Å; L183-F191 HydrophobicContact CD1-CZ 3.78Å; L183-F191 HydrophobicContact CG-CD2 4.43Å; L183-F191 HydrophobicContact CG-CE2 4.25Å
184L81.5Confident79.2Confident90 Ų9070.2 Ų70.247%0.47136%0.362SS..Hα-helixtrans-75.1-22.6-177.7-68165.4000113.6L169 A180 E181 G186L169-L184 HydrophobicContact CD1-CD2 4.08Å; L169-L184 HydrophobicContact CD2-CD2 4.26Å; A180-L184 WeakPolarHBondContact O-CB 3.2Å; A180-L184 WeakPolarHBondContact O-CD1 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 3.18Å; E181-L184 PolarHBondContact O-N 3.32Å; L184-G186 PolarHBondContact O-N 3.18Å
185S80.6Confident79.4Confident59 Ų5964 Ų6441%0.41333%0.334SS..THydrogen-bonded Turntrans-64.9-15.1176.673.70000113.4E181 A182 L183 D187E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.47Å; A182-S185 PolarHBondContact O-OG 3.33Å; L183-S185 VanDerWaalsContact C-N 3.34Å; S185-D187 PolarHBondContact O-N 3.24Å
186G74.2Confident79.9Confident62 Ų6261.2 Ų61.264%0.63933%0.33SS*.  trans73.4-0.1-179.200000114.2L184L184-G186 PolarHBondContact O-N 3.18Å
187D81.5Confident80.1Confident73 Ų7365.6 Ų65.639%0.3935%0.35SS..  trans-89.1106.7178.5-177.5-11.6000110.3S185 E189 R190 F191S185-D187 PolarHBondContact O-N 3.24Å; D187-E189 VanDerWaalsContact C-N 3.33Å; D187-E189 PolarHBondContact O-N 3.09Å; D187-E189 PolarHBondContact OD1-N 3.25Å; D187-R190 HydrophobicContact CB-CB 3.91Å; D187-R190 PolarHBondContact O-N 3.14Å; D187-R190 PolarHBondContact OD1-N 2.88Å; D187-R190 WeakPolarHBondContact OD2-CB 3.4Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 2.8Å
188L75.1Confident79.9Confident71 Ų7164.1 Ų64.137%0.37234%0.337SS..Hα-helixtrans-65.4-33.8-179.2179.164.2000112.3A156 Q159 T192A156-L188 HydrophobicContact CB-CD1 4.15Å; A156-L188 HydrophobicContact CB-CD2 4.24Å; Q159-L188 VanDerWaalsContact OE1-CD1 3.28Å; L188-T192 WeakPolarHBondContact O-CB 3.37Å; L188-T192 PolarHBondContact O-N 3.05Å; L188-T192 PolarHBondContact O-OG1 3.1Å
189E79.9Confident79.7Confident164 Ų16465.3 Ų65.377%0.76634%0.336SS*.Hα-helixtrans-69.4-43.9179.1-70.1-170168.800110.6D187 T192 K193D187-E189 VanDerWaalsContact C-N 3.33Å; D187-E189 PolarHBondContact O-N 3.09Å; D187-E189 PolarHBondContact OD1-N 3.25Å; E189-T192 PolarHBondContact O-N 2.9Å; E189-K193 WeakPolarHBondContact O-CB 3.49Å; E189-K193 PolarHBondContact O-N 3.16Å
190R79.4Confident79.6Confident135 Ų13570.7 Ų70.751%0.50936%0.361SS..Hα-helixtrans-63.9-43.5176.5-172.6175.8178.2170-2.7112.1A182 D187 K193 V194A182-R190 HydrophobicContact CB-CG 4.29Å; D187-R190 HydrophobicContact CB-CB 3.91Å; D187-R190 PolarHBondContact O-N 3.14Å; D187-R190 PolarHBondContact OD1-N 2.88Å; D187-R190 WeakPolarHBondContact OD2-CB 3.4Å; R190-K193 PolarHBondContact O-N 3.29Å; R190-V194 WeakPolarHBondContact O-CG2 3.3Å; R190-V194 PolarHBondContact O-N 2.93Å; R190-V194 VanDerWaalsContact O-N 3.15Å
191F80.8Confident79.3Confident0 Ų072.9 Ų72.90%037%0.372CS..Hα-helixtrans-60.2-46.4175.1176.9-105.3000111.9L158 Q159 L162 L179 A182 L183 D187 K193 V194 L195L158-F191 HydrophobicContact CD2-CE1 4.41Å; L158-F191 HydrophobicContact CD2-CZ 3.97Å; Q159-F191 HydrophobicContact CB-CD1 3.95Å; Q159-F191 HydrophobicContact CB-CE1 3.8Å; Q159-F191 HydrophobicContact CB-CZ 4.44Å; L162-F191 HydrophobicContact CD1-CE2 4.37Å; L162-F191 HydrophobicContact CD1-CZ 3.98Å; L179-F191 HydrophobicContact CD1-CD2 3.82Å; L179-F191 HydrophobicContact CD1-CE2 3.54Å; L179-F191 HydrophobicContact CD1-CZ 4.38Å; L179-F191 HydrophobicContact CG-CE2 4.1Å; A182-F191 HydrophobicContact CB-CB 4.5Å; L183-F191 HydrophobicContact CB-CD2 3.82Å; L183-F191 HydrophobicContact CB-CE2 3.91Å; L183-F191 HydrophobicContact CD1-CD2 3.77Å; L183-F191 HydrophobicContact CD1-CE1 4.38Å; L183-F191 HydrophobicContact CD1-CE2 3.43Å; L183-F191 VanDerWaalsContact CD1-CE2 3.43Å; L183-F191 HydrophobicContact CD1-CG 4.37Å; L183-F191 HydrophobicContact CD1-CZ 3.78Å; L183-F191 HydrophobicContact CG-CD2 4.43Å; L183-F191 HydrophobicContact CG-CE2 4.25Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 2.8Å; F191-K193 PolarHBondContact O-N 3.37Å; F191-V194 PolarHBondContact O-N 3.31Å; F191-L195 HydrophobicContact CE1-CD2 4.24Å; F191-L195 HydrophobicContact CZ-CD2 4.45Å; F191-L195 VanDerWaalsContact O-CB 3.3Å; F191-L195 WeakPolarHBondContact O-CB 3.27Å; F191-L195 PolarHBondContact O-N 2.89Å
192T79.8Confident78.7Confident46 Ų4674.8 Ų74.828%0.28237%0.374SS..Hα-helixtrans-62.1-42.8179.9-56.70000111.6P155 L188 E189 L195 L196P155-T192 HydrophobicContact CB-CG2 3.97Å; P155-T192 WeakPolarHBondContact CB-OG1 3.4Å; P155-T192 HydrophobicContact CG-CG2 3.8Å; L188-T192 WeakPolarHBondContact O-CB 3.37Å; L188-T192 PolarHBondContact O-N 3.05Å; L188-T192 PolarHBondContact O-OG1 3.1Å; E189-T192 PolarHBondContact O-N 2.9Å; T192-L195 PolarHBondContact O-N 3.35Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.5Å
193K83.6Confident78.3Confident149 Ų14977.1 Ų77.165%0.64839%0.394SS*.Hα-helixtrans-60.8-50.5178.1-175.4-178.2175.9-175.20111.9E189 R190 F191 L195 L196 E197E189-K193 WeakPolarHBondContact O-CB 3.49Å; E189-K193 PolarHBondContact O-N 3.16Å; R190-K193 PolarHBondContact O-N 3.29Å; F191-K193 PolarHBondContact O-N 3.37Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 2.99Å; K193-L196 PolarHBondContact O-N 2.88Å; K193-E197 WeakPolarHBondContact O-CB 3.39Å; K193-E197 PolarHBondContact O-N 3.28Å
194V82.5Confident78.2Confident28 Ų2884.3 Ų84.317%0.1742%0.421CS..Hα-helixtrans-65.8-38.6-178.9176.90000111.2L179 A182 R190 F191 Q198L179-V194 HydrophobicContact CB-CG1 4.24Å; L179-V194 HydrophobicContact CD1-CB 4.31Å; L179-V194 HydrophobicContact CD1-CG1 3.97Å; A182-V194 HydrophobicContact CB-CB 4.25Å; A182-V194 HydrophobicContact CB-CG2 4.06Å; R190-V194 WeakPolarHBondContact O-CG2 3.3Å; R190-V194 PolarHBondContact O-N 2.93Å; R190-V194 VanDerWaalsContact O-N 3.15Å; F191-V194 PolarHBondContact O-N 3.31Å; V194-Q198 WeakPolarHBondContact O-CB 3.42Å; V194-Q198 VanDerWaalsContact O-CG 3.31Å; V194-Q198 WeakPolarHBondContact O-CG 3.32Å; V194-Q198 PolarHBondContact O-N 2.88Å
195L78.8Confident77.8Confident22 Ų2287.4 Ų87.412%0.11543%0.426CS..Hα-helixtrans-62.3-45.4176.4-173.572.2000111.5L158 L179 F191 T192 K193 Q198 Q199L158-L195 HydrophobicContact CD2-CD1 4.28Å; L158-L195 HydrophobicContact CD2-CD2 4.16Å; L179-L195 HydrophobicContact CD1-CB 4.04Å; L179-L195 HydrophobicContact CD1-CD1 4.11Å; L179-L195 HydrophobicContact CD2-CD1 3.82Å; F191-L195 HydrophobicContact CE1-CD2 4.24Å; F191-L195 HydrophobicContact CZ-CD2 4.45Å; F191-L195 VanDerWaalsContact O-CB 3.3Å; F191-L195 WeakPolarHBondContact O-CB 3.27Å; F191-L195 PolarHBondContact O-N 2.89Å; T192-L195 PolarHBondContact O-N 3.35Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 2.99Å; L195-Q198 PolarHBondContact O-N 3.12Å; L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 WeakPolarHBondContact O-CG 3.35Å; L195-Q199 PolarHBondContact O-N 3.41Å
196L80.3Confident77Confident93 Ų9390.2 Ų90.249%0.48743%0.433SS..Hα-helixtrans-67.9-42.3-178.4-158.975.8000111.8T192 K193 Q198 Q199 Q200T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.5Å; K193-L196 PolarHBondContact O-N 2.88Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; L196-Q198 PolarHBondContact O-N 3.4Å; L196-Q199 PolarHBondContact O-N 2.97Å; L196-Q200 WeakPolarHBondContact O-CB 3.47Å; L196-Q200 WeakPolarHBondContact O-CG 3.45Å; L196-Q200 PolarHBondContact O-N 3.16Å
197E81.3Confident76.8Confident110 Ų11094 Ų9451%0.51443%0.434SS..Hα-helixtrans-61.2-43.8176.1-172.4170-16500111.2K193 Q200 D201K193-E197 WeakPolarHBondContact O-CB 3.39Å; K193-E197 PolarHBondContact O-N 3.28Å; E197-Q200 PolarHBondContact O-N 3.28Å; E197-D201 PolarHBondContact O-N 2.96Å
198Q77Confident76.3Confident36 Ų3695.6 Ų95.617%0.16844%0.439CS..Hα-helixtrans-69.6-35.3176.3-73.6-171.84.900114.1N176 V194 L195 L196 Q200 R202N176-Q198 PolarHBondContact ND2-NE2 3.06Å; N176-Q198 PolarHBondContact ND2-OE1 3.24Å; N176-Q198 PolarHBondContact OD1-NE2 3.15Å; V194-Q198 WeakPolarHBondContact O-CB 3.42Å; V194-Q198 VanDerWaalsContact O-CG 3.31Å; V194-Q198 WeakPolarHBondContact O-CG 3.32Å; V194-Q198 PolarHBondContact O-N 2.88Å; L195-Q198 PolarHBondContact O-N 3.12Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; L196-Q198 PolarHBondContact O-N 3.4Å; Q198-Q200 VanDerWaalsContact C-N 3.34Å; Q198-R202 WeakPolarHBondContact O-CB 3.48Å; Q198-R202 VanDerWaalsContact O-CG 3.27Å; Q198-R202 WeakPolarHBondContact O-CG 3.45Å; Q198-R202 PolarHBondContact O-N 3.38Å
199Q74.3Confident75.7Confident97 Ų97100.5 Ų100.545%0.45345%0.452SS..Hα-helixtrans-64.6-41.4172.9-77.7-176.67.100110.9L195 L196 R202 A203L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 WeakPolarHBondContact O-CG 3.35Å; L195-Q199 PolarHBondContact O-N 3.41Å; L196-Q199 PolarHBondContact O-N 2.97Å; Q199-R202 PolarHBondContact O-N 3.46Å; Q199-A203 VanDerWaalsContact O-CB 3.26Å; Q199-A203 WeakPolarHBondContact O-CB 3.5Å; Q199-A203 PolarHBondContact O-N 2.98Å
200Q77.2Confident74.8Confident123 Ų12396.7 Ų96.758%0.57544%0.436SS*.Hα-helixtrans-65.7-43.8176.1-74.4177.712.500112.2L196 E197 Q198 R202 A203 R204L196-Q200 WeakPolarHBondContact O-CB 3.47Å; L196-Q200 WeakPolarHBondContact O-CG 3.45Å; L196-Q200 PolarHBondContact O-N 3.16Å; E197-Q200 PolarHBondContact O-N 3.28Å; Q198-Q200 VanDerWaalsContact C-N 3.34Å; Q200-R202 PolarHBondContact O-N 3.05Å; Q200-A203 PolarHBondContact O-N 3.43Å; Q200-R204 WeakPolarHBondContact O-CB 3.18Å; Q200-R204 PolarHBondContact O-N 2.9Å
201D73.9Confident74.2Confident50 Ų5099.9 Ų99.927%0.26745%0.449SS..Hα-helixtrans-64.9-39176.4-94.4-9.1000112.3E197 R204 R205E197-D201 PolarHBondContact O-N 2.96Å; D201-R204 PolarHBondContact O-N 2.86Å; D201-R204 IonicContact OD1-CZ 3.4Å; D201-R204 IonicContact OD1-NH1 3.24Å; D201-R204 PolarHBondContact OD1-NH1 3.25Å; D201-R204 IonicContact OD1-NH2 2.71Å; D201-R205 WeakPolarHBondContact O-CG 3.36Å; D201-R205 PolarHBondContact O-N 3.49Å
202R69.9Low73.2Confident161 Ų161103.6 Ų103.661%0.60847%0.468SS*.Hα-helixtrans-63.8-48.3172.6-77179.2-170.5-129.22.9111Q198 Q199 Q200 R204 R205 E206Q198-R202 WeakPolarHBondContact O-CB 3.48Å; Q198-R202 VanDerWaalsContact O-CG 3.27Å; Q198-R202 WeakPolarHBondContact O-CG 3.45Å; Q198-R202 PolarHBondContact O-N 3.38Å; Q199-R202 PolarHBondContact O-N 3.46Å; Q200-R202 PolarHBondContact O-N 3.05Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.92Å; R202-R205 PolarHBondContact O-N 3.05Å; R202-E206 VanDerWaalsContact O-CB 3.27Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.41Å
203A72.8Confident72.1Confident50 Ų50107.7 Ų107.741%0.41349%0.487SS..Hα-helixtrans-59.3-40.1177.300000111.3Q199 Q200 E206 Q207Q199-A203 VanDerWaalsContact O-CB 3.26Å; Q199-A203 WeakPolarHBondContact O-CB 3.5Å; Q199-A203 PolarHBondContact O-N 2.98Å; Q200-A203 PolarHBondContact O-N 3.43Å; A203-E206 PolarHBondContact O-N 3.17Å; A203-Q207 WeakPolarHBondContact O-CB 3.25Å; A203-Q207 PolarHBondContact O-N 3.41Å
204R78.4Confident71Confident151 Ų151105.7 Ų105.757%0.5749%0.488SS*.Hα-helixtrans-62.4-48.9176.7-165.6176.487.3-1383.8112Q200 D201 R202 Q207 E208Q200-R204 WeakPolarHBondContact O-CB 3.18Å; Q200-R204 PolarHBondContact O-N 2.9Å; D201-R204 PolarHBondContact O-N 2.86Å; D201-R204 IonicContact OD1-CZ 3.4Å; D201-R204 IonicContact OD1-NH1 3.24Å; D201-R204 PolarHBondContact OD1-NH1 3.25Å; D201-R204 IonicContact OD1-NH2 2.71Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.92Å; R204-Q207 PolarHBondContact O-N 2.89Å; R204-E208 WeakPolarHBondContact O-CB 3.32Å; R204-E208 PolarHBondContact O-N 3.02Å
205R72.4Confident69.6Low155 Ų155105.6 Ų105.659%0.58549%0.49SS*.Hα-helixtrans-65.6-40.9177.9-70.1180-166.7135.77.8112.4D201 R202 Q207 E208 R209D201-R205 WeakPolarHBondContact O-CG 3.36Å; D201-R205 PolarHBondContact O-N 3.49Å; R202-R205 PolarHBondContact O-N 3.05Å; R205-Q207 VanDerWaalsContact C-N 3.33Å; R205-E208 PolarHBondContact O-N 3.09Å; R205-R209 VanDerWaalsContact O-CB 3.31Å; R205-R209 WeakPolarHBondContact O-CB 3.37Å; R205-R209 PolarHBondContact O-N 2.98Å
206E64.7Low68.5Low119 Ų119109.2 Ų109.256%0.55651%0.509SS*.Hα-helixtrans-61.4-45.4175.2-168.287.3-146.700110R202 A203 R209 I210R202-E206 VanDerWaalsContact O-CB 3.27Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.41Å; A203-E206 PolarHBondContact O-N 3.17Å; E206-R209 PolarHBondContact O-N 3.12Å; E206-I210 HydrophobicContact CG-CD1 3.95Å; E206-I210 WeakPolarHBondContact O-CB 3.45Å; E206-I210 VanDerWaalsContact O-CG1 3.23Å; E206-I210 WeakPolarHBondContact O-CG1 3.35Å; E206-I210 PolarHBondContact O-N 3.35Å
207Q70.3Confident67.4Low142 Ų142109.6 Ų109.666%0.66452%0.517SS*.Hα-helixtrans-69.9-35.4-178.5-164.4158.8600112.2A203 R204 R205 R211A203-Q207 WeakPolarHBondContact O-CB 3.25Å; A203-Q207 PolarHBondContact O-N 3.41Å; R204-Q207 PolarHBondContact O-N 2.89Å; R205-Q207 VanDerWaalsContact C-N 3.33Å; Q207-R211 VanDerWaalsContact O-CB 3.24Å; Q207-R211 WeakPolarHBondContact O-CB 3.31Å; Q207-R211 PolarHBondContact O-N 2.86Å
208E69.1Low66.2Low106 Ų106112.6 Ų112.650%0.49553%0.529SS..Hα-helixtrans-66.7-42.3172-169.1173.4-171.800111.9R204 R205 R211 L212R204-E208 WeakPolarHBondContact O-CB 3.32Å; R204-E208 PolarHBondContact O-N 3.02Å; R205-E208 PolarHBondContact O-N 3.09Å; E208-R211 PolarHBondContact O-N 3.47Å; E208-L212 PolarHBondContact O-N 3.37Å
209R62.8Low65.9Low173 Ų173114.2 Ų114.265%0.65354%0.539SS*.Hα-helixtrans-63.7-44.5174.2-173.2-174.4177.7118.92111.9R205 E206 R211 L212 L213R205-R209 VanDerWaalsContact O-CB 3.31Å; R205-R209 WeakPolarHBondContact O-CB 3.37Å; R205-R209 PolarHBondContact O-N 2.98Å; E206-R209 PolarHBondContact O-N 3.12Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-L212 PolarHBondContact O-N 3.3Å; R209-L213 HydrophobicContact CG-CD1 3.93Å; R209-L213 WeakPolarHBondContact O-CB 3.35Å; R209-L213 WeakPolarHBondContact O-CD1 3.45Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 3.33Å
210I61.5Low65.7Low84 Ų84116.3 Ų116.343%0.43155%0.553SS.*Hα-helixtrans-62.7-41174.7-70.9167.1000109.8E206 L212 L213 T214E206-I210 HydrophobicContact CG-CD1 3.95Å; E206-I210 WeakPolarHBondContact O-CB 3.45Å; E206-I210 VanDerWaalsContact O-CG1 3.23Å; E206-I210 WeakPolarHBondContact O-CG1 3.35Å; E206-I210 PolarHBondContact O-N 3.35Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 3.49Å; I210-L213 PolarHBondContact O-N 2.8Å; I210-T214 WeakPolarHBondContact O-CB 3.25Å; I210-T214 PolarHBondContact O-N 3.33Å; I210-T214 PolarHBondContact O-OG1 2.83Å
211R67.5Low65.6Low203 Ų203118.1 Ų118.177%0.76656%0.561SS**Hα-helixtrans-62.7-39.6178-159.3178-170.2-170.30112.1Q207 E208 R209 A215Q207-R211 VanDerWaalsContact O-CB 3.24Å; Q207-R211 WeakPolarHBondContact O-CB 3.31Å; Q207-R211 PolarHBondContact O-N 2.86Å; E208-R211 PolarHBondContact O-N 3.47Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R211-A215 WeakPolarHBondContact O-CA 3.38Å; R211-A215 VanDerWaalsContact O-CB 3.28Å; R211-A215 WeakPolarHBondContact O-CB 3.45Å; R211-A215 PolarHBondContact O-N 3.26Å
212L59.3Low65.4Low78 Ų78116.2 Ų116.241%0.40855%0.552SS.*Hα-helixtrans-68.1-39.3173.1-79.3160.2000113.1E208 R209 I210 K225E208-L212 PolarHBondContact O-N 3.37Å; R209-L212 PolarHBondContact O-N 3.3Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 3.49Å; L212-K225 HydrophobicContact CD2-CD 3.92Å
213L56.1Low65.5Low131 Ų131113 Ų11369%0.68654%0.544SS*.Hα-helixtrans-75.9-25.2179.2-74.3164.1000113.6R209 I210R209-L213 HydrophobicContact CG-CD1 3.93Å; R209-L213 WeakPolarHBondContact O-CB 3.35Å; R209-L213 WeakPolarHBondContact O-CD1 3.45Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 3.33Å; I210-L213 PolarHBondContact O-N 2.8Å
214T60.5Low65.9Low107 Ų107113.1 Ų113.166%0.65655%0.545SS*.Hα-helixtrans-105.8-0.9-178.1-37.70000111.6I210 D216I210-T214 WeakPolarHBondContact O-CB 3.25Å; I210-T214 PolarHBondContact O-N 3.33Å; I210-T214 PolarHBondContact O-OG1 2.83Å; T214-D216 PolarHBondContact O-N 2.83Å
215A52.9Low66.1Low26 Ų26110.6 Ų110.622%0.21554%0.538CS..SBendtrans-59138.3172.200000109R211 D219 A222R211-A215 WeakPolarHBondContact O-CA 3.38Å; R211-A215 VanDerWaalsContact O-CB 3.28Å; R211-A215 WeakPolarHBondContact O-CB 3.45Å; R211-A215 PolarHBondContact O-N 3.26Å; A215-D219 HydrophobicContact CB-CB 4.31Å; A215-A222 HydrophobicContact CB-CB 3.85Å
216D56.8Low66.2Low98 Ų98108 Ų10852%0.52454%0.535SS..  trans-53.5134.3174.5-170.8-32.4000108.8T214 F218 D219T214-D216 PolarHBondContact O-N 2.83Å; D216-F218 PolarHBondContact O-N 2.96Å; D216-F218 WeakPolarHBondContact OD1-CD2 3.36Å; D216-F218 PolarHBondContact OD1-N 3.36Å; D216-D219 HydrophobicContact CB-CB 4.5Å; D216-D219 WeakPolarHBondContact O-CB 3.49Å; D216-D219 PolarHBondContact O-N 3.22Å
217P56.6Low67.1Low101 Ų101109 Ų10966%0.65654%0.54SS*.THydrogen-bonded Turntrans-49.7-16.4172.9-28.133.6000115.1Q223P217-Q223 PolarHBondContact O-NE2 2.7Å
218F57Low67.8Low173 Ų173105.9 Ų105.976%0.75953%0.525SS*.THydrogen-bonded Turntrans-103.99.7176.5-59.4-75000115D216 L220D216-F218 PolarHBondContact O-N 2.96Å; D216-F218 WeakPolarHBondContact OD1-CD2 3.36Å; D216-F218 PolarHBondContact OD1-N 3.36Å; F218-L220 PolarHBondContact O-N 2.85Å
219D70.2Confident68.4Low70 Ų70105.7 Ų105.737%0.37453%0.527SS..  trans-73.2113.6174.1-166.8-0.9000110.3A215 D216 E221 A222 Q223A215-D219 HydrophobicContact CB-CB 4.31Å; D216-D219 HydrophobicContact CB-CB 4.5Å; D216-D219 WeakPolarHBondContact O-CB 3.49Å; D216-D219 PolarHBondContact O-N 3.22Å; D219-E221 PolarHBondContact O-N 2.88Å; D219-A222 HydrophobicContact CB-CB 4.16Å; D219-A222 PolarHBondContact O-N 3.47Å; D219-Q223 PolarHBondContact O-N 2.84Å
220L69.6Low69.4Low142 Ų142100.4 Ų100.474%0.74351%0.512SS*.Hα-helixtrans-60.6-33.6-174.1-73.7167.1000112.4F218 A224F218-L220 PolarHBondContact O-N 2.85Å; L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 2.93Å
221E75.6Confident70.9Confident160 Ų160102.3 Ų102.375%0.74851%0.513SS*.Hα-helixtrans-74.9-36.7-178.6-164.5172.2-175.300111.6D219 K225D219-E221 PolarHBondContact O-N 2.88Å; E221-K225 PolarHBondContact O-N 3.39Å
222A69.4Low71.9Confident11 Ų1196.3 Ų96.39%0.09149%0.494CS..Hα-helixtrans-70-41.2174.200000111.8A215 D219 K225 I226A215-A222 HydrophobicContact CB-CB 3.85Å; D219-A222 HydrophobicContact CB-CB 4.16Å; D219-A222 PolarHBondContact O-N 3.47Å; A222-K225 PolarHBondContact O-N 2.98Å; A222-I226 WeakPolarHBondContact O-CD1 3.3Å; A222-I226 VanDerWaalsContact O-CG1 3.25Å; A222-I226 WeakPolarHBondContact O-CG1 3.5Å; A222-I226 PolarHBondContact O-N 3.48Å
223Q71.2Confident73.2Confident93 Ų9397.8 Ų97.844%0.43550%0.499SS..Hα-helixtrans-62.6-44174.5-77.6-173.9-5.900112.3P217 D219 K225 I226 E227P217-Q223 PolarHBondContact O-NE2 2.7Å; D219-Q223 PolarHBondContact O-N 2.84Å; Q223-K225 VanDerWaalsContact C-N 3.3Å; Q223-K225 PolarHBondContact O-N 2.96Å; Q223-I226 PolarHBondContact O-N 3.01Å; Q223-E227 WeakPolarHBondContact O-CB 3.34Å; Q223-E227 PolarHBondContact O-N 3.48Å
224A81.8Confident74.7Confident53 Ų5394.8 Ų94.844%0.43848%0.483SS..Hα-helixtrans-62-38.1177.700000112.3L220 E227 E228L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 2.93Å; A224-E227 PolarHBondContact O-N 3.28Å; A224-E228 PolarHBondContact O-N 3.34Å
225K82.2Confident76.1Confident97 Ų9793.1 Ų93.142%0.42247%0.473SS..Hα-helixtrans-68.5-41176.8-166.6172.5-173.91740112.3L212 E221 A222 Q223 E227 E228 D229L212-K225 HydrophobicContact CD2-CD 3.92Å; E221-K225 PolarHBondContact O-N 3.39Å; A222-K225 PolarHBondContact O-N 2.98Å; Q223-K225 VanDerWaalsContact C-N 3.3Å; Q223-K225 PolarHBondContact O-N 2.96Å; K225-E227 VanDerWaalsContact C-N 3.34Å; K225-E228 PolarHBondContact O-N 3.06Å; K225-D229 WeakPolarHBondContact O-CB 3.46Å; K225-D229 PolarHBondContact O-N 3.13Å
226I75.8Confident77.7Confident100 Ų10097.5 Ų97.551%0.51349%0.489SS..Hα-helixtrans-64.1-42174.8-67.6164000110.5A222 Q223 D229 I230A222-I226 WeakPolarHBondContact O-CD1 3.3Å; A222-I226 VanDerWaalsContact O-CG1 3.25Å; A222-I226 WeakPolarHBondContact O-CG1 3.5Å; A222-I226 PolarHBondContact O-N 3.48Å; Q223-I226 PolarHBondContact O-N 3.01Å; I226-D229 PolarHBondContact O-N 2.82Å; I226-I230 HydrophobicContact CG2-CD1 3.75Å; I226-I230 HydrophobicContact CG2-CG1 4.42Å; I226-I230 WeakPolarHBondContact O-CB 3.47Å; I226-I230 WeakPolarHBondContact O-CD1 3.45Å; I226-I230 WeakPolarHBondContact O-CG1 3.19Å; I226-I230 PolarHBondContact O-N 3.3Å
227E82.6Confident79.2Confident141 Ų14197.8 Ų97.866%0.65949%0.487SS*.Hα-helixtrans-61.4-45.1176.6-176.6179.317900111.8Q223 A224 K225 I230 R231Q223-E227 WeakPolarHBondContact O-CB 3.34Å; Q223-E227 PolarHBondContact O-N 3.48Å; A224-E227 PolarHBondContact O-N 3.28Å; K225-E227 VanDerWaalsContact C-N 3.34Å; E227-I230 PolarHBondContact O-N 2.83Å; E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 PolarHBondContact O-N 3.11Å
228E85.2Confident80.8Confident76 Ų7698.2 Ų98.236%0.35548%0.484SS..Hα-helixtrans-65.8-43.4177.9-177.458.2-160.500111.9A224 K225 I230 R231 Q232A224-E228 PolarHBondContact O-N 3.34Å; K225-E228 PolarHBondContact O-N 3.06Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 3Å; E228-R231 WeakPolarHBondContact O-CB 3.24Å; E228-R231 PolarHBondContact O-N 3.32Å; E228-R231 VanDerWaalsContact O-N 3.16Å; E228-R231 IonicContact OE1-CZ 3.67Å; E228-R231 IonicContact OE1-NE 3.49Å; E228-R231 PolarHBondContact OE1-NE 2.93Å; E228-R231 IonicContact OE1-NH2 3.01Å; E228-R231 PolarHBondContact OE1-NH2 3.01Å; E228-R231 IonicContact OE2-CZ 2.72Å; E228-R231 IonicContact OE2-NE 3.59Å; E228-R231 PolarHBondContact OE2-NE 3.19Å; E228-R231 IonicContact OE2-NH2 3Å; E228-R231 PolarHBondContact OE2-NH2 2.97Å; E228-Q232 VanDerWaalsContact O-CG 3.3Å; E228-Q232 WeakPolarHBondContact O-CG 3.4Å; E228-Q232 PolarHBondContact O-N 3.48Å; E228-Q232 PolarHBondContact OE1-NE2 2.86Å
229D81.4Confident82Confident102 Ų10293.9 Ų93.955%0.54547%0.467SS..Hα-helixtrans-60.4-41.6176.2-76.3-12.6000111.3K225 I226 Q232 H233K225-D229 WeakPolarHBondContact O-CB 3.46Å; K225-D229 PolarHBondContact O-N 3.13Å; I226-D229 PolarHBondContact O-N 2.82Å; D229-Q232 PolarHBondContact O-N 3.09Å; D229-H233 WeakPolarHBondContact O-CB 3.21Å; D229-H233 PolarHBondContact O-N 3Å
230I84.8Confident82.7Confident62 Ų6294 Ų9432%0.31847%0.471SS..Hα-helixtrans-63.7-43.7174.9-74.4171.8000111.2I226 E227 E228 H233 N234I226-I230 HydrophobicContact CG2-CD1 3.75Å; I226-I230 HydrophobicContact CG2-CG1 4.42Å; I226-I230 WeakPolarHBondContact O-CB 3.47Å; I226-I230 WeakPolarHBondContact O-CD1 3.45Å; I226-I230 WeakPolarHBondContact O-CG1 3.19Å; I226-I230 PolarHBondContact O-N 3.3Å; E227-I230 PolarHBondContact O-N 2.83Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 3Å; I230-H233 PolarHBondContact O-N 2.72Å; I230-N234 VanDerWaalsContact O-CG 3.31Å; I230-N234 PolarHBondContact O-N 3.41Å
231R92.7Very high83.4Confident125 Ų12591.1 Ų91.147%0.47246%0.455SS..Hα-helixtrans-61.7-46.7179-170.4-175.276.187.92.1110.6E227 E228 H233 N234 V235E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 PolarHBondContact O-N 3.11Å; E228-R231 WeakPolarHBondContact O-CB 3.24Å; E228-R231 PolarHBondContact O-N 3.32Å; E228-R231 VanDerWaalsContact O-N 3.16Å; E228-R231 IonicContact OE1-CZ 3.67Å; E228-R231 IonicContact OE1-NE 3.49Å; E228-R231 PolarHBondContact OE1-NE 2.93Å; E228-R231 IonicContact OE1-NH2 3.01Å; E228-R231 PolarHBondContact OE1-NH2 3.01Å; E228-R231 IonicContact OE2-CZ 2.72Å; E228-R231 IonicContact OE2-NE 3.59Å; E228-R231 PolarHBondContact OE2-NE 3.19Å; E228-R231 IonicContact OE2-NH2 3Å; E228-R231 PolarHBondContact OE2-NH2 2.97Å; R231-H233 VanDerWaalsContact C-N 3.35Å; R231-N234 PolarHBondContact O-N 2.65Å; R231-V235 VanDerWaalsContact O-CG2 3.31Å; R231-V235 WeakPolarHBondContact O-CG2 3.42Å; R231-V235 PolarHBondContact O-N 3.35Å
232Q88.4Confident83.8Confident77 Ų7784.8 Ų84.836%0.3643%0.43SS..Hα-helixtrans-60.2-45.9176.9-68.8-67.3-1400110.9E228 D229 N234 V235 E236E228-Q232 VanDerWaalsContact O-CG 3.3Å; E228-Q232 WeakPolarHBondContact O-CG 3.4Å; E228-Q232 PolarHBondContact O-N 3.48Å; E228-Q232 PolarHBondContact OE1-NE2 2.86Å; D229-Q232 PolarHBondContact O-N 3.09Å; Q232-N234 PolarHBondContact O-N 3.49Å; Q232-V235 PolarHBondContact O-N 2.78Å; Q232-V235 VanDerWaalsContact O-N 3.12Å; Q232-E236 WeakPolarHBondContact O-CG 3.38Å; Q232-E236 PolarHBondContact O-N 3.36Å
233H85.7Confident84.3Confident109 Ų10989.5 Ų89.551%0.50545%0.451SS..Hα-helixtrans-59.7-44.6177.5-169.656.9000112.6D229 I230 R231 V235 E236 E237D229-H233 WeakPolarHBondContact O-CB 3.21Å; D229-H233 PolarHBondContact O-N 3Å; I230-H233 PolarHBondContact O-N 2.72Å; R231-H233 VanDerWaalsContact C-N 3.35Å; H233-V235 VanDerWaalsContact C-N 3.29Å; H233-V235 PolarHBondContact O-N 2.81Å; H233-E236 PolarHBondContact O-N 2.72Å; H233-E237 WeakPolarHBondContact O-CB 3.31Å; H233-E237 PolarHBondContact O-N 2.81Å
234N88.3Confident84.6Confident68 Ų6892 Ų9236%0.36446%0.463SS..Hα-helixtrans-62.5-37.1176.1-72.1-12.5000112.2Q132 I230 R231 Q232 N238Q132-N234 VanDerWaalsContact NE2-CG 3.33Å; Q132-N234 PolarHBondContact NE2-ND2 2.9Å; Q132-N234 PolarHBondContact NE2-OD1 3.42Å; I230-N234 VanDerWaalsContact O-CG 3.31Å; I230-N234 PolarHBondContact O-N 3.41Å; R231-N234 PolarHBondContact O-N 2.65Å; Q232-N234 PolarHBondContact O-N 3.49Å; N234-N238 VanDerWaalsContact O-CB 3.23Å; N234-N238 WeakPolarHBondContact O-CB 3.37Å; N234-N238 PolarHBondContact O-N 3.5Å
235V90.1Very high84.6Confident72 Ų7295.2 Ų95.244%0.43647%0.469SS..Hα-helixtrans-67.6-43.6176.7169.80000110.8R231 Q232 H233 M239R231-V235 VanDerWaalsContact O-CG2 3.31Å; R231-V235 WeakPolarHBondContact O-CG2 3.42Å; R231-V235 PolarHBondContact O-N 3.35Å; Q232-V235 PolarHBondContact O-N 2.78Å; Q232-V235 VanDerWaalsContact O-N 3.12Å; H233-V235 VanDerWaalsContact C-N 3.29Å; H233-V235 PolarHBondContact O-N 2.81Å; V235-M239 WeakPolarHBondContact O-CB 3.33Å; V235-M239 PolarHBondContact O-N 3.4Å
236E87.1Confident84.2Confident118 Ų11892.2 Ų92.255%0.55146%0.463SS*.Hα-helixtrans-64.8-42.4176.6-73.7178.6175.700112.4Q232 H233 M239 T240Q232-E236 WeakPolarHBondContact O-CG 3.38Å; Q232-E236 PolarHBondContact O-N 3.36Å; H233-E236 PolarHBondContact O-N 2.72Å; E236-M239 WeakPolarHBondContact O-CB 3.23Å; E236-M239 PolarHBondContact O-N 3.39Å; E236-T240 WeakPolarHBondContact O-CB 3.34Å; E236-T240 PolarHBondContact O-N 3.25Å; E236-T240 PolarHBondContact O-OG1 3.28Å
237E87.6Confident84Confident103 Ų10391 Ų9148%0.48146%0.461SS..Hα-helixtrans-64.8-46.7177.2-171.8175.1-156.900110.6H233 M239 T240 I241H233-E237 WeakPolarHBondContact O-CB 3.31Å; H233-E237 PolarHBondContact O-N 2.81Å; E237-M239 VanDerWaalsContact C-N 3.3Å; E237-M239 PolarHBondContact O-N 3.17Å; E237-T240 WeakPolarHBondContact O-CB 3.37Å; E237-T240 PolarHBondContact O-N 3.01Å; E237-T240 VanDerWaalsContact O-N 3.14Å; E237-I241 HydrophobicContact CG-CD1 4.09Å; E237-I241 VanDerWaalsContact O-CG1 3.31Å; E237-I241 WeakPolarHBondContact O-CG1 3.21Å; E237-I241 PolarHBondContact O-N 3.31Å
238N89.5Confident83.3Confident111 Ų11192.4 Ų92.459%0.59447%0.468SS*.Hα-helixtrans-60.3-39.3174.3179.769.3000112.3N234 A242N234-N238 VanDerWaalsContact O-CB 3.23Å; N234-N238 WeakPolarHBondContact O-CB 3.37Å; N234-N238 PolarHBondContact O-N 3.5Å; N238-A242 WeakPolarHBondContact O-CB 3.42Å; N238-A242 PolarHBondContact O-N 3.25Å
239M82.8Confident82.3Confident82 Ų8293.2 Ų93.240%0.40448%0.482SS..Hα-helixtrans-61.5-45.4174.3-178.665.269.100111.3V235 E236 E237 A242 M243 F250V235-M239 WeakPolarHBondContact O-CB 3.33Å; V235-M239 PolarHBondContact O-N 3.4Å; E236-M239 WeakPolarHBondContact O-CB 3.23Å; E236-M239 PolarHBondContact O-N 3.39Å; E237-M239 VanDerWaalsContact C-N 3.3Å; E237-M239 PolarHBondContact O-N 3.17Å; M239-A242 PolarHBondContact O-N 2.98Å; M239-M243 HydrophobicContact CG-CE 4.11Å; M239-M243 WeakPolarHBondContact O-CG 3.47Å; M239-M243 PolarHBondContact O-N 3.44Å; M239-M243 HydrophobicContact SD-CE 4.05Å; M239-F250 HydrophobicContact SD-CE1 3.4Å; M239-F250 WeakPolarHBondContact SD-CE1 3.45Å; M239-F250 HydrophobicContact SD-CZ 3.58Å; M239-F250 VanDerWaalsContact SD-CZ 3.58Å
240T84.8Confident81.4Confident73 Ų7393.1 Ų93.145%0.44848%0.477SS..Hα-helixtrans-62.2-47.6179.3-55.60000110.7E236 E237 A242 M243 E244E236-T240 WeakPolarHBondContact O-CB 3.34Å; E236-T240 PolarHBondContact O-N 3.25Å; E236-T240 PolarHBondContact O-OG1 3.28Å; E237-T240 WeakPolarHBondContact O-CB 3.37Å; E237-T240 PolarHBondContact O-N 3.01Å; E237-T240 VanDerWaalsContact O-N 3.14Å; T240-A242 VanDerWaalsContact C-N 3.33Å; T240-A242 PolarHBondContact O-N 3Å; T240-M243 PolarHBondContact O-N 3.39Å; T240-M243 VanDerWaalsContact O-N 3.17Å; T240-E244 PolarHBondContact O-N 2.87Å
241I85.6Confident80.2Confident80 Ų8092.3 Ų92.341%0.4148%0.484SS..Hα-helixtrans-58.6-45.7175.6-67.2164.1000110.6E237 M243 E244 E245E237-I241 HydrophobicContact CG-CD1 4.09Å; E237-I241 VanDerWaalsContact O-CG1 3.31Å; E237-I241 WeakPolarHBondContact O-CG1 3.21Å; E237-I241 PolarHBondContact O-N 3.31Å; I241-M243 VanDerWaalsContact C-N 3.31Å; I241-M243 PolarHBondContact O-N 3.34Å; I241-E244 PolarHBondContact O-N 2.87Å; I241-E245 HydrophobicContact CG2-CG 4.17Å; I241-E245 WeakPolarHBondContact O-CB 3.25Å; I241-E245 PolarHBondContact O-N 2.85Å
242A82.4Confident78.9Confident28 Ų2890.3 Ų90.323%0.23148%0.48CS..Hα-helixtrans-61.7-40.2178.500000111.7N238 M239 T240 E244 A246 F250N238-A242 WeakPolarHBondContact O-CB 3.42Å; N238-A242 PolarHBondContact O-N 3.25Å; M239-A242 PolarHBondContact O-N 2.98Å; T240-A242 VanDerWaalsContact C-N 3.33Å; T240-A242 PolarHBondContact O-N 3Å; A242-E244 VanDerWaalsContact C-N 3.32Å; A242-E244 PolarHBondContact O-N 3.01Å; A242-A246 CarbonylContact O-C 3.54Å; A242-A246 WeakPolarHBondContact O-CA 3.44Å; A242-A246 PolarHBondContact O-N 2.83Å; A242-F250 VanDerWaalsContact C-CE2 3.46Å; A242-F250 HydrophobicContact CB-CE2 3.77Å; A242-F250 HydrophobicContact CB-CZ 3.71Å; A242-F250 WeakPolarHBondContact O-CE2 3.36Å
243M80.1Confident78.2Confident109 Ų10992.3 Ų92.354%0.53750%0.497SS..Hα-helixtrans-65.4-34.8177.8-75.6-176.4173.300112.6M239 T240 I241 F250M239-M243 HydrophobicContact CG-CE 4.11Å; M239-M243 WeakPolarHBondContact O-CG 3.47Å; M239-M243 PolarHBondContact O-N 3.44Å; M239-M243 HydrophobicContact SD-CE 4.05Å; T240-M243 PolarHBondContact O-N 3.39Å; T240-M243 VanDerWaalsContact O-N 3.17Å; I241-M243 VanDerWaalsContact C-N 3.31Å; I241-M243 PolarHBondContact O-N 3.34Å; M243-F250 HydrophobicContact CB-CE2 4.35Å; M243-F250 HydrophobicContact CE-CE1 4.39Å; M243-F250 HydrophobicContact CG-CD2 4.31Å; M243-F250 HydrophobicContact CG-CE1 4.34Å; M243-F250 HydrophobicContact CG-CE2 3.78Å; M243-F250 HydrophobicContact CG-CZ 3.77Å
244E78.3Confident78.1Confident145 Ų14589.9 Ų89.968%0.67849%0.49SS*.Hα-helixtrans-79-47.1178.5-69.1-176.4166.800112.5T240 I241 A242T240-E244 PolarHBondContact O-N 2.87Å; I241-E244 PolarHBondContact O-N 2.87Å; A242-E244 VanDerWaalsContact C-N 3.32Å; A242-E244 PolarHBondContact O-N 3.01Å
245E82.3Confident78.2Confident121 Ų12189.6 Ų89.657%0.56549%0.487SS*.Hα-helixtrans-88-31.4-171.3-69-70134.500113.4Q124 I241Q124-E245 PolarHBondContact NE2-OE2 2.87Å; I241-E245 HydrophobicContact CG2-CG 4.17Å; I241-E245 WeakPolarHBondContact O-CB 3.25Å; I241-E245 PolarHBondContact O-N 2.85Å
246A73.8Confident78.4Confident35 Ų3588 Ų8829%0.28948%0.476SS..  trans-139.560.2-175.100000112.2A242 E248 S249A242-A246 CarbonylContact O-C 3.54Å; A242-A246 WeakPolarHBondContact O-CA 3.44Å; A242-A246 PolarHBondContact O-N 2.83Å; A246-E248 PolarHBondContact O-N 3.32Å; A246-E248 VanDerWaalsContact O-N 3.1Å; A246-S249 WeakPolarHBondContact CB-OG 3.08Å; A246-S249 VanDerWaalsContact O-CB 3.27Å; A246-S249 WeakPolarHBondContact O-CB 3.41Å; A246-S249 PolarHBondContact O-N 3.01Å; A246-S249 PolarHBondContact O-OG 2.76Å
247P70.3Confident78.8Confident75 Ų7582.9 Ų82.949%0.48745%0.451SS..G310 helixtrans-57.4-28.9179.424.1-34.7000112.6S249 F250P247-S249 PolarHBondContact O-N 3.06Å; P247-F250 WeakPolarHBondContact O-CB 3.34Å; P247-F250 PolarHBondContact O-N 3.39Å; P247-F250 VanDerWaalsContact O-N 3.09Å
248E68.5Low79.3Confident170 Ų17078 Ų7879%0.79443%0.429SS*.G310 helixtrans-58.2-29.3174.5-52-83.8172.800112.7A246 F250 G251A246-E248 PolarHBondContact O-N 3.32Å; A246-E248 VanDerWaalsContact O-N 3.1Å; E248-F250 PolarHBondContact O-N 2.81Å; E248-G251 PolarHBondContact O-N 3.41Å
249S64.7Low79.6Confident93 Ų9376 Ų7665%0.6542%0.418SS*.G310 helixtrans-67.4-19.2178.4-51.70000112.7A246 P247A246-S249 WeakPolarHBondContact CB-OG 3.08Å; A246-S249 VanDerWaalsContact O-CB 3.27Å; A246-S249 WeakPolarHBondContact O-CB 3.41Å; A246-S249 PolarHBondContact O-N 3.01Å; A246-S249 PolarHBondContact O-OG 2.76Å; P247-S249 PolarHBondContact O-N 3.06Å
250F62.5Low80.3Confident99 Ų9972.5 Ų72.543%0.43440%0.401SS..G310 helixtrans-93.4-11.2175.4-61.5-84.9000112.5M239 A242 M243 P247 E248M239-F250 HydrophobicContact SD-CE1 3.4Å; M239-F250 WeakPolarHBondContact SD-CE1 3.45Å; M239-F250 HydrophobicContact SD-CZ 3.58Å; M239-F250 VanDerWaalsContact SD-CZ 3.58Å; A242-F250 VanDerWaalsContact C-CE2 3.46Å; A242-F250 HydrophobicContact CB-CE2 3.77Å; A242-F250 HydrophobicContact CB-CZ 3.71Å; A242-F250 WeakPolarHBondContact O-CE2 3.36Å; M243-F250 HydrophobicContact CB-CE2 4.35Å; M243-F250 HydrophobicContact CE-CE1 4.39Å; M243-F250 HydrophobicContact CG-CD2 4.31Å; M243-F250 HydrophobicContact CG-CE1 4.34Å; M243-F250 HydrophobicContact CG-CE2 3.78Å; M243-F250 HydrophobicContact CG-CZ 3.77Å; P247-F250 WeakPolarHBondContact O-CB 3.34Å; P247-F250 PolarHBondContact O-N 3.39Å; P247-F250 VanDerWaalsContact O-N 3.09Å; E248-F250 PolarHBondContact O-N 2.81Å
251G58.6Low80.9Confident45 Ų4573.6 Ų73.646%0.46440%0.4SS..SBendtrans-75.2138.9174.700000111.7E248 V253E248-G251 PolarHBondContact O-N 3.41Å; G251-V253 PolarHBondContact O-N 2.87Å
252Q64.9Low81.4Confident84 Ų8469.9 Ų69.939%0.39338%0.381SS..PPolyproline II helixtrans-73.2118.6169.8-76.1168.3-33.700108.9V254 Y386Q252-V254 PolarHBondContact O-N 3.49Å; Q252-Y386 PolarHBondContact NE2-O 3.27Å; Q252-Y386 PolarHBondContact OE1-O 2.67Å
253V75.2Confident82Confident119 Ų11972.4 Ų72.472%0.72139%0.39SS*.PPolyproline II helixtrans-76.2121.6179-178.20000109.3G251 M255G251-V253 PolarHBondContact O-N 2.87Å; V253-M255 PolarHBondContact O-N 3.16Å
254V82.8Confident82.7Confident58 Ų5869.8 Ų69.835%0.35239%0.391SS..PPolyproline II helixtrans-64.7124.3175.7-175.40000109.4Q252 E375 L378Q252-V254 PolarHBondContact O-N 3.49Å; V254-E375 HydrophobicContact CG1-CB 4.4Å; V254-E375 HydrophobicContact CG2-CB 4.05Å; V254-E375 HydrophobicContact CG2-CG 4.43Å; V254-L378 HydrophobicContact CG1-CD1 3.71Å; V254-L378 HydrophobicContact CG1-CG 4.41Å
255M90.7Very high83.5Confident61 Ų6166.3 Ų66.330%0.338%0.375SS..PPolyproline II helixtrans-67.7149.1179.3-70.8-63.217600112V253 Y257 F270 Y386V253-M255 PolarHBondContact O-N 3.16Å; M255-Y257 HydrophobicContact CB-CD2 4.16Å; M255-Y257 HydrophobicContact CB-CE2 3.84Å; M255-Y257 PolarHBondContact O-N 2.88Å; M255-F270 HydrophobicContact CB-CD2 4.42Å; M255-F270 HydrophobicContact CB-CE2 3.9Å; M255-F270 HydrophobicContact CG-CE2 4.31Å; M255-F270 HydrophobicContact SD-CE2 4.17Å; M255-F270 HydrophobicContact SD-CZ 4.39Å; M255-Y386 HydrophobicContact CE-CD2 4.47Å; M255-Y386 HydrophobicContact CE-CE1 4.22Å; M255-Y386 HydrophobicContact CE-CE2 3.86Å; M255-Y386 HydrophobicContact CG-CE2 4.47Å
256L94.3Very high84.2Confident39 Ų3964.9 Ų64.920%0.20438%0.376CS..  trans-78.1110.2-175.9-57-180000111.1F270 V271 I354 L356 F372L256-F270 WeakPolarHBondContact O-CD2 3.29Å; L256-V271 HydrophobicContact CB-CB 4.07Å; L256-V271 PolarHBondContact O-N 2.96Å; L256-I354 HydrophobicContact CD1-CG2 3.82Å; L256-L356 HydrophobicContact CD1-CD2 3.96Å; L256-L356 HydrophobicContact CD2-CD2 3.89Å; L256-F372 HydrophobicContact CB-CD1 3.95Å; L256-F372 HydrophobicContact CB-CE1 3.92Å; L256-F372 HydrophobicContact CD1-CE1 4.46Å; L256-F372 HydrophobicContact CD1-CZ 4.28Å; L256-F372 HydrophobicContact CD2-CD1 4.21Å; L256-F372 HydrophobicContact CD2-CD2 3.96Å; L256-F372 HydrophobicContact CD2-CE1 4.39Å; L256-F372 HydrophobicContact CD2-CE2 4.16Å; L256-F372 HydrophobicContact CD2-CG 4.02Å; L256-F372 HydrophobicContact CD2-CZ 4.38Å; L256-F372 HydrophobicContact CG-CE1 4.49Å
257Y95.7Very high85.3Confident11 Ų1163.3 Ų63.34%0.04336%0.363CS..EExtended strand (participates in β ladder)trans-123.6149.5172.9-79-102.5000111M255 K268 A269 F270 F372 L373 L378 P379 A382M255-Y257 HydrophobicContact CB-CD2 4.16Å; M255-Y257 HydrophobicContact CB-CE2 3.84Å; M255-Y257 PolarHBondContact O-N 2.88Å; Y257-K268 HydrophobicContact CD1-CB 4.16Å; Y257-A269 VanDerWaalsContact CA-O 3.3Å; Y257-A269 WeakPolarHBondContact CA-O 3.24Å; Y257-F270 HydrophobicContact CD1-CB 4.16Å; Y257-F270 HydrophobicContact CD2-CD2 4.01Å; Y257-F270 HydrophobicContact CE1-CB 3.62Å; Y257-F270 HydrophobicContact CE1-CD2 4.42Å; Y257-F270 HydrophobicContact CE1-CG 4.41Å; Y257-F270 HydrophobicContact CE2-CB 4.28Å; Y257-F270 AromaticContact CE2-CD2 3.51Å; Y257-F270 HydrophobicContact CE2-CD2 3.51Å; Y257-F270 HydrophobicContact CE2-CE2 4.29Å; Y257-F270 HydrophobicContact CE2-CG 4.22Å; Y257-F270 AromaticContact CZ-CD2 3.74Å; Y257-F270 AromaticContact CZ-CG 3.98Å; Y257-F372 CarbonylContact O-C 3.6Å; Y257-F372 VanDerWaalsContact O-CA 3.24Å; Y257-F372 WeakPolarHBondContact O-CA 3.32Å; Y257-L373 WeakPolarHBondContact O-CG 3.45Å; Y257-L373 PolarHBondContact O-N 2.92Å; Y257-L378 HydrophobicContact CD2-CD2 3.32Å; Y257-L378 HydrophobicContact CE2-CD2 4.03Å; Y257-L378 HydrophobicContact CG-CD2 3.64Å; Y257-P379 HydrophobicContact CD1-CG 4.35Å; Y257-P379 HydrophobicContact CE1-CG 3.93Å; Y257-A382 HydrophobicContact CE2-CB 3.94Å
258I96.8Very high86.5Confident1 Ų163 Ų631%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-127.3154.6171.563.3173.1000110.5K268 A269 V271 I321 L342 L361 T370 F372I258-K268 WeakPolarHBondContact O-CA 3.4Å; I258-A269 HydrophobicContact CG1-CB 4.02Å; I258-A269 PolarHBondContact N-O 2.8Å; I258-A269 PolarHBondContact O-N 3.37Å; I258-V271 HydrophobicContact CD1-CG2 4.33Å; I258-V271 HydrophobicContact CG1-CG2 4.16Å; I258-V271 HydrophobicContact CG2-CG2 4.09Å; I258-I321 HydrophobicContact CD1-CD1 3.91Å; I258-L342 HydrophobicContact CD1-CD2 4.37Å; I258-L361 HydrophobicContact CD1-CD2 3.62Å; I258-L361 HydrophobicContact CG2-CB 4.14Å; I258-L361 HydrophobicContact CG2-CD2 4.24Å; I258-T370 HydrophobicContact CB-CG2 4.13Å; I258-T370 HydrophobicContact CD1-CG2 4.3Å; I258-T370 HydrophobicContact CG2-CG2 3.83Å; I258-F372 HydrophobicContact CG2-CD1 3.7Å; I258-F372 HydrophobicContact CG2-CE1 3.84Å
259N96.9Very high87.8Confident69 Ų6955 Ų5537%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-81.8133.6166.5-73.8-41.4000109.7L373N259-L373 WeakPolarHBondContact ND2-CD2 3.3Å
260C96.8Very high89.3Confident7 Ų752.1 Ų52.15%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-140.2174.5167.9670000109.9V267 V319 Q320 I321C260-V267 PolarHBondContact N-O 2.81Å; C260-V267 PolarHBondContact O-N 2.84Å; C260-V267 VanDerWaalsContact O-O 3.08Å; C260-V267 PolarHBondContact SG-O 2.73Å; C260-V319 HydrophobicContact CB-CG1 3.95Å; C260-Q320 CarbonylContact C-O 3.48Å; C260-Q320 WeakPolarHBondContact CA-O 3.24Å; C260-Q320 VanDerWaalsContact CB-O 3.26Å; C260-Q320 WeakPolarHBondContact CB-O 3.43Å; C260-I321 HydrophobicContact CB-CG1 4.06Å
261K97.8Very high90.9Very high97 Ų9747.7 Ų47.742%0.42227%0.274SS..EExtended strand (participates in β ladder)trans-128139.6170.7-58173.1-179170.60110.4H265 Q320K261-H265 CarbonylContact C-O 3.59Å; K261-H265 WeakPolarHBondContact CA-O 3.46Å; K261-Q320 HydrophobicContact CB-CB 4.12Å; K261-Q320 PolarHBondContact N-O 2.61Å; K261-Q320 PolarHBondContact O-N 3.5Å
262V97.1Very high92.6Very high1 Ų147.8 Ų47.81%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-121.4120.4173.1-177.90000107.3G264 H265 V267 M280 C288 I290 V319 M340V262-G264 PolarHBondContact O-N 3.44Å; V262-G264 VanDerWaalsContact O-N 3.15Å; V262-H265 PolarHBondContact N-O 2.95Å; V262-H265 PolarHBondContact O-N 2.71Å; V262-V267 HydrophobicContact CB-CG2 4.4Å; V262-V267 HydrophobicContact CG2-CG2 4.21Å; V262-M280 HydrophobicContact CG1-CE 4.32Å; V262-M280 HydrophobicContact CG2-CE 3.94Å; V262-C288 HydrophobicContact CB-CB 4.21Å; V262-C288 HydrophobicContact CG1-CB 4.13Å; V262-I290 HydrophobicContact CG1-CD1 4Å; V262-I290 HydrophobicContact CG1-CG2 4.28Å; V262-V319 HydrophobicContact CG2-CG1 4.44Å; V262-V319 HydrophobicContact CG2-CG2 4.28Å; V262-M340 HydrophobicContact CG2-SD 4.45Å
263N94.9Very high94.1Very high82 Ų8247.1 Ų47.144%0.43927%0.268SS..THydrogen-bonded Turntrans51.737.2-175-168.542.1000112.8H265 C288 I290N263-H265 VanDerWaalsContact C-N 3.3Å; N263-H265 PolarHBondContact O-CD2 2.85Å; N263-H265 VanDerWaalsContact O-CD2 3.3Å; N263-H265 PolarHBondContact O-N 3.24Å; N263-C288 WeakPolarHBondContact CB-O 3.28Å; N263-C288 PolarHBondContact ND2-O 2.84Å; N263-I290 HydrophobicContact CB-CG2 3.94Å
264G93Very high94.9Very high54 Ų5444.8 Ų44.856%0.55727%0.268SS*.THydrogen-bonded Turntrans83.4-10.8-179.300000115.8V262V262-G264 PolarHBondContact O-N 3.44Å; V262-G264 VanDerWaalsContact O-N 3.15Å
265H96.7Very high95.3Very high71 Ų7142.8 Ų42.833%0.32926%0.258SS..EExtended strand (participates in β ladder)trans-87.7133.9179.2-64.2-87.9000111.3K261 V262 N263 R287 C288K261-H265 CarbonylContact C-O 3.59Å; K261-H265 WeakPolarHBondContact CA-O 3.46Å; V262-H265 PolarHBondContact N-O 2.95Å; V262-H265 PolarHBondContact O-N 2.71Å; N263-H265 VanDerWaalsContact C-N 3.3Å; N263-H265 PolarHBondContact O-CD2 2.85Å; N263-H265 VanDerWaalsContact O-CD2 3.3Å; N263-H265 PolarHBondContact O-N 3.24Å; H265-R287 PolarHBondContact CE1-O 2.86Å; H265-R287 PolarHBondContact ND1-O 2.86Å; H265-C288 HydrophobicContact CB-CB 4.44Å
266P96.8Very high95.3Very high91 Ų9147.8 Ų47.859%0.59128%0.28SS*.EExtended strand (participates in β ladder)trans-68.8136.9178.728.9-34.2000111.4R287P266-R287 PolarHBondContact O-NH1 3.05Å
267V96.4Very high95.1Very high2 Ų249.6 Ų49.61%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-137.8138.7-179.9176.90000108.4C260 V262 D339 M340C260-V267 PolarHBondContact N-O 2.81Å; C260-V267 PolarHBondContact O-N 2.84Å; C260-V267 VanDerWaalsContact O-O 3.08Å; C260-V267 PolarHBondContact SG-O 2.73Å; V262-V267 HydrophobicContact CB-CG2 4.4Å; V262-V267 HydrophobicContact CG2-CG2 4.21Å; V267-D339 HydrophobicContact CG1-CB 4Å; V267-M340 HydrophobicContact CG1-CB 3.72Å; V267-M340 HydrophobicContact CG1-SD 4.38Å
268K95.3Very high95.1Very high68 Ų6849 Ų4930%0.29629%0.287SS..EExtended strand (participates in β ladder)trans-97.6112.8170-65.3179.3-177.1172.80107.7Y257 I258 L373 E377 P379Y257-K268 HydrophobicContact CD1-CB 4.16Å; I258-K268 WeakPolarHBondContact O-CA 3.4Å; K268-L373 HydrophobicContact CB-CD1 4.43Å; K268-L373 HydrophobicContact CD-CD1 3.9Å; K268-L373 HydrophobicContact CG-CD1 3.97Å; K268-E377 VanDerWaalsContact CE-O 3.24Å; K268-E377 WeakPolarHBondContact CE-O 3.29Å; K268-E377 PolarHBondContact NZ-O 2.88Å; K268-P379 HydrophobicContact CB-CG 4.28Å; K268-P379 HydrophobicContact CD-CG 3.97Å
269A96.1Very high95Very high2 Ų250.4 Ų50.42%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-96.2125-179.500000110Y257 I258 M340Y257-A269 VanDerWaalsContact CA-O 3.3Å; Y257-A269 WeakPolarHBondContact CA-O 3.24Å; I258-A269 HydrophobicContact CG1-CB 4.02Å; I258-A269 PolarHBondContact N-O 2.8Å; I258-A269 PolarHBondContact O-N 3.37Å; A269-M340 WeakPolarHBondContact CA-O 3.48Å; A269-M340 HydrophobicContact CB-CB 4.33Å; A269-M340 HydrophobicContact CB-CG 4.34Å; A269-M340 HydrophobicContact CB-SD 4.41Å
270F96.1Very high95Very high33 Ų3347.1 Ų47.115%0.14528%0.276CS..EExtended strand (participates in β ladder)trans-75126.8170.5178-128.3000109.4M255 L256 Y257 D272 M338 M340 L341 L342M255-F270 HydrophobicContact CB-CD2 4.42Å; M255-F270 HydrophobicContact CB-CE2 3.9Å; M255-F270 HydrophobicContact CG-CE2 4.31Å; M255-F270 HydrophobicContact SD-CE2 4.17Å; M255-F270 HydrophobicContact SD-CZ 4.39Å; L256-F270 WeakPolarHBondContact O-CD2 3.29Å; Y257-F270 HydrophobicContact CD1-CB 4.16Å; Y257-F270 HydrophobicContact CD2-CD2 4.01Å; Y257-F270 HydrophobicContact CE1-CB 3.62Å; Y257-F270 HydrophobicContact CE1-CD2 4.42Å; Y257-F270 HydrophobicContact CE1-CG 4.41Å; Y257-F270 HydrophobicContact CE2-CB 4.28Å; Y257-F270 AromaticContact CE2-CD2 3.51Å; Y257-F270 HydrophobicContact CE2-CD2 3.51Å; Y257-F270 HydrophobicContact CE2-CE2 4.29Å; Y257-F270 HydrophobicContact CE2-CG 4.22Å; Y257-F270 AromaticContact CZ-CD2 3.74Å; Y257-F270 AromaticContact CZ-CG 3.98Å; F270-D272 HydrophobicContact CD1-CB 4.04Å; F270-D272 HydrophobicContact CE1-CB 3.65Å; F270-D272 HydrophobicContact CZ-CB 4.17Å; F270-M338 HydrophobicContact CB-SD 4.11Å; F270-M338 HydrophobicContact CD1-SD 3.78Å; F270-M338 HydrophobicContact CG-SD 4.25Å; F270-M340 PolarHBondContact N-O 3.33Å; F270-L341 HydrophobicContact CD1-CD1 3.85Å; F270-L341 HydrophobicContact CD1-CG 3.93Å; F270-L341 HydrophobicContact CE1-CD1 4.26Å; F270-L341 CarbonylContact O-C 3.59Å; F270-L341 WeakPolarHBondContact O-CA 3.42Å; F270-L342 PolarHBondContact O-N 2.97Å
271V96.4Very high94.9Very high6 Ų647 Ų474%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-97.8111.7-177.5-179.50000109.3L256 I258 L347 I354 L361 F372L256-V271 HydrophobicContact CB-CB 4.07Å; L256-V271 PolarHBondContact O-N 2.96Å; I258-V271 HydrophobicContact CD1-CG2 4.33Å; I258-V271 HydrophobicContact CG1-CG2 4.16Å; I258-V271 HydrophobicContact CG2-CG2 4.09Å; V271-L347 HydrophobicContact CG1-CD1 4.26Å; V271-L347 HydrophobicContact CG1-CD2 4.14Å; V271-I354 HydrophobicContact CG1-CD1 3.9Å; V271-I354 HydrophobicContact CG1-CG1 4.32Å; V271-L361 HydrophobicContact CG1-CD1 4.47Å; V271-L361 HydrophobicContact CG2-CD2 4.39Å; V271-F372 HydrophobicContact CB-CE1 4.38Å; V271-F372 HydrophobicContact CG2-CE1 4.14Å
272D95Very high94.8Very high47 Ų4744.8 Ų44.825%0.25127%0.267SS..  trans-133106.6-174.2-173.6-5.1000111.1F270 G274 A275 L341 L342 G343F270-D272 HydrophobicContact CD1-CB 4.04Å; F270-D272 HydrophobicContact CE1-CB 3.65Å; F270-D272 HydrophobicContact CZ-CB 4.17Å; D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 VanDerWaalsContact OD1-CA 3.31Å; D272-G274 WeakPolarHBondContact OD1-CA 3.37Å; D272-G274 PolarHBondContact OD1-N 2.96Å; D272-A275 HydrophobicContact CB-CB 4.11Å; D272-A275 PolarHBondContact OD1-N 3.39Å; D272-L341 HydrophobicContact CB-CD1 4.33Å; D272-L341 HydrophobicContact CB-CD2 4.15Å; D272-L341 HydrophobicContact CB-CG 4.18Å; D272-L342 PolarHBondContact N-O 2.95Å; D272-G343 WeakPolarHBondContact O-CA 3.37Å
273S94.5Very high94.7Very high71 Ų7147.8 Ų47.850%0.49729%0.291SS..SBendtrans-76.5-15.3175.762.10000113.3
274G92.8Very high94.8Very high69 Ų6943.9 Ų43.971%0.71127%0.27SS*.SBendtrans-79.6-22.7174.500000113D272D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 VanDerWaalsContact OD1-CA 3.31Å; D272-G274 WeakPolarHBondContact OD1-CA 3.37Å; D272-G274 PolarHBondContact OD1-N 2.96Å
275A90.4Very high95Very high17 Ų1741.3 Ų41.314%0.1424%0.244CC..  trans-79.3125.4174.800000111.7D272 M277 L341 L344D272-A275 HydrophobicContact CB-CB 4.11Å; D272-A275 PolarHBondContact OD1-N 3.39Å; A275-M277 VanDerWaalsContact C-N 3.35Å; A275-M277 PolarHBondContact O-N 2.83Å; A275-L341 HydrophobicContact CB-CD1 4.3Å; A275-L341 HydrophobicContact CB-CD2 3.46Å; A275-L341 VanDerWaalsContact CB-CD2 3.46Å; A275-L344 VanDerWaalsContact O-CB 3.3Å; A275-L344 WeakPolarHBondContact O-CB 3.48Å; A275-L344 PolarHBondContact O-N 2.55Å
276Q90.6Very high95Very high165 Ų16542.8 Ų42.877%0.77125%0.251SS*.SBendtrans-67.5-34.8177.8-177.2177-10.600112.9D345Q276-D345 WeakPolarHBondContact O-CB 3.31Å; Q276-D345 PolarHBondContact O-N 3.04Å
277M91.8Very high94.9Very high77 Ų7743.2 Ų43.238%0.37924%0.241SC..SBendtrans-121.8143-173.2-64.2-171.5-64.300111.6A275 D345A275-M277 VanDerWaalsContact C-N 3.35Å; A275-M277 PolarHBondContact O-N 2.83Å; M277-D345 WeakPolarHBondContact CA-OD2 3.4Å
278T95.7Very high95Very high0 Ų043.1 Ų43.10%024%0.24CC..  trans-75.4134.8167.5-63.80000109.8F330 S331 M340 L341 L342 G343 D345 M346T278-F330 HydrophobicContact CG2-CB 3.63Å; T278-F330 HydrophobicContact CG2-CD1 4.47Å; T278-F330 HydrophobicContact CG2-CG 4.41Å; T278-F330 VanDerWaalsContact O-CA 3.29Å; T278-F330 WeakPolarHBondContact O-CA 3.36Å; T278-F330 VanDerWaalsContact O-CB 3.27Å; T278-F330 WeakPolarHBondContact O-CB 3.41Å; T278-S331 PolarHBondContact O-N 3.23Å; T278-S331 VanDerWaalsContact O-N 3.1Å; T278-M340 HydrophobicContact CG2-CE 3.83Å; T278-L341 CarbonylContact C-O 3.44Å; T278-L341 VanDerWaalsContact CA-O 3.29Å; T278-L341 WeakPolarHBondContact CA-O 3.43Å; T278-L341 WeakPolarHBondContact CG2-O 3.16Å; T278-L342 HydrophobicContact CG2-CD1 4.25Å; T278-G343 PolarHBondContact OG1-N 3.37Å; T278-D345 WeakPolarHBondContact CB-OD1 3.25Å; T278-D345 VanDerWaalsContact N-CG 3.31Å; T278-D345 PolarHBondContact N-OD1 3.28Å; T278-D345 PolarHBondContact N-OD2 3.13Å; T278-D345 VanDerWaalsContact N-OD2 3.08Å; T278-D345 PolarHBondContact OG1-OD1 3.13Å; T278-M346 HydrophobicContact CG2-CG 4.06Å; T278-M346 WeakPolarHBondContact OG1-CB 3.17Å; T278-M346 WeakPolarHBondContact OG1-CG 3.27Å
279I95Very high95Very high29 Ų2944.3 Ų44.315%0.14925%0.25CC..EExtended strand (participates in β ladder)trans-131.6147.8-173.3-61.4169.9000109.8S331 L333 M340 L341I279-S331 WeakPolarHBondContact CA-O 3.45Å; I279-L333 HydrophobicContact CB-CD1 4.32Å; I279-L333 HydrophobicContact CD1-CD1 4.28Å; I279-L333 HydrophobicContact CD1-CD2 4.31Å; I279-L333 HydrophobicContact CG1-CD1 4.14Å; I279-L333 HydrophobicContact CG2-CB 4.05Å; I279-L333 HydrophobicContact CG2-CD1 3.28Å; I279-L333 HydrophobicContact CG2-CD2 4.07Å; I279-L333 HydrophobicContact CG2-CG 3.95Å; I279-M340 CarbonylContact O-C 3.57Å; I279-M340 WeakPolarHBondContact O-CA 3.47Å; I279-L341 HydrophobicContact CB-CB 4.49Å; I279-L341 PolarHBondContact N-O 2.88Å; I279-L341 PolarHBondContact O-N 3.38Å
280M96.4Very high95.1Very high0 Ų044.4 Ų44.40%025%0.25CC..EExtended strand (participates in β ladder)trans-132.2142.5169.9-178.3178.4-71.100110.5V262 C284 A285 I290 F330 S331 I332 L333 D339 M340V262-M280 HydrophobicContact CG1-CE 4.32Å; V262-M280 HydrophobicContact CG2-CE 3.94Å; M280-C284 HydrophobicContact CG-CB 3.85Å; M280-C284 HydrophobicContact SD-CB 4.44Å; M280-A285 HydrophobicContact SD-CB 4.21Å; M280-I290 HydrophobicContact CE-CD1 4.42Å; M280-I290 HydrophobicContact SD-CD1 3.69Å; M280-F330 HydrophobicContact CB-CD2 3.72Å; M280-F330 HydrophobicContact CB-CE2 3.97Å; M280-F330 HydrophobicContact CE-CD2 4.3Å; M280-F330 HydrophobicContact CE-CE1 4.29Å; M280-F330 HydrophobicContact CE-CE2 3.64Å; M280-F330 HydrophobicContact CE-CZ 3.64Å; M280-F330 HydrophobicContact CG-CE2 4.44Å; M280-F330 HydrophobicContact SD-CD2 4.35Å; M280-F330 HydrophobicContact SD-CE2 3.61Å; M280-F330 HydrophobicContact SD-CZ 4.11Å; M280-S331 PolarHBondContact N-O 3.12Å; M280-I332 HydrophobicContact CB-CD1 3.85Å; M280-I332 HydrophobicContact CG-CD1 4.35Å; M280-I332 VanDerWaalsContact O-CA 3.28Å; M280-I332 WeakPolarHBondContact O-CA 3.46Å; M280-I332 HydrophobicContact SD-CD1 4.48Å; M280-L333 PolarHBondContact O-N 3.45Å; M280-D339 WeakPolarHBondContact CA-O 3.3Å; M280-D339 WeakPolarHBondContact CG-O 3.4Å; M280-M340 HydrophobicContact CE-CB 4.49Å; M280-M340 HydrophobicContact CE-CE 4.26Å; M280-M340 HydrophobicContact CE-CG 4.13Å; M280-M340 HydrophobicContact CE-SD 3.58Å; M280-M340 VanDerWaalsContact CE-SD 3.58Å
281S95.2Very high95.1Very high6 Ų645.1 Ų45.14%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-71.9153.4176.472.90000111.8A283 C284 A285 L333 D339S281-A283 VanDerWaalsContact C-N 3.31Å; S281-A283 PolarHBondContact O-N 2.9Å; S281-C284 PolarHBondContact O-N 2.98Å; S281-C284 WeakPolarHBondContact OG-CB 3.42Å; S281-C284 PolarHBondContact OG-N 2.85Å; S281-C284 VanDerWaalsContact OG-N 3.14Å; S281-A285 PolarHBondContact O-N 3.03Å; S281-L333 CarbonylContact C-O 3.53Å; S281-L333 WeakPolarHBondContact CA-O 3.34Å; S281-D339 PolarHBondContact N-O 2.78Å
282Q95.3Very high95Very high50 Ų5052.5 Ų52.523%0.23428%0.282CS..Hα-helixtrans-57.4-46.3174.9-175.6-176-23.900111.2C284 A285 E286 M291 I311 I332 L333Q282-C284 VanDerWaalsContact C-N 3.28Å; Q282-C284 PolarHBondContact O-N 3.26Å; Q282-A285 PolarHBondContact O-N 2.96Å; Q282-A285 VanDerWaalsContact O-N 3.12Å; Q282-E286 HydrophobicContact CG-CG 4.48Å; Q282-E286 PolarHBondContact NE2-OE1 3.11Å; Q282-E286 WeakPolarHBondContact O-CG 3.43Å; Q282-E286 PolarHBondContact O-N 2.85Å; Q282-M291 HydrophobicContact CG-CE 4.13Å; Q282-I311 HydrophobicContact CB-CD1 3.6Å; Q282-I311 VanDerWaalsContact CD-CD1 3.42Å; Q282-I311 HydrophobicContact CG-CD1 3.6Å; Q282-I332 HydrophobicContact CB-CG2 4.35Å; Q282-L333 PolarHBondContact N-O 3.14Å
283A95.4Very high95.1Very high63 Ų6353.8 Ų53.852%0.52129%0.288SS..Hα-helixtrans-58.9-40179.200000112S281 R287S281-A283 VanDerWaalsContact C-N 3.31Å; S281-A283 PolarHBondContact O-N 2.9Å; A283-R287 VanDerWaalsContact O-CB 3.27Å; A283-R287 WeakPolarHBondContact O-CB 3.36Å; A283-R287 PolarHBondContact O-N 2.78Å
284C96.2Very high95.2Very high0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-67.3-42.9175-176.10000111.7M280 S281 Q282 E286 R287 C288 D339M280-C284 HydrophobicContact CG-CB 3.85Å; M280-C284 HydrophobicContact SD-CB 4.44Å; S281-C284 PolarHBondContact O-N 2.98Å; S281-C284 WeakPolarHBondContact OG-CB 3.42Å; S281-C284 PolarHBondContact OG-N 2.85Å; S281-C284 VanDerWaalsContact OG-N 3.14Å; Q282-C284 VanDerWaalsContact C-N 3.28Å; Q282-C284 PolarHBondContact O-N 3.26Å; C284-E286 VanDerWaalsContact C-N 3.34Å; C284-E286 PolarHBondContact O-N 3.46Å; C284-R287 PolarHBondContact O-N 2.95Å; C284-C288 WeakPolarHBondContact O-CB 3.31Å; C284-C288 PolarHBondContact O-N 2.86Å; C284-C288 PolarHBondContact O-SG 3.33Å; C284-D339 HydrophobicContact CB-CB 3.99Å; C284-D339 WeakPolarHBondContact CB-O 3.45Å
285A96.4Very high95.4Very high0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-64.1-36.817800000113.1M280 S281 Q282 N289 I290 M291 I332M280-A285 HydrophobicContact SD-CB 4.21Å; S281-A285 PolarHBondContact O-N 3.03Å; Q282-A285 PolarHBondContact O-N 2.96Å; Q282-A285 VanDerWaalsContact O-N 3.12Å; A285-N289 PolarHBondContact O-N 3.43Å; A285-I290 HydrophobicContact CB-CD1 4.39Å; A285-I290 HydrophobicContact CB-CG1 4.02Å; A285-I290 WeakPolarHBondContact O-CG1 3.39Å; A285-I290 PolarHBondContact O-N 3.45Å; A285-M291 HydrophobicContact CB-SD 3.72Å; A285-I332 HydrophobicContact CB-CD1 4.11Å; A285-I332 HydrophobicContact CB-CG2 4.36Å
286E96.4Very high95.6Very high102 Ų10256.1 Ų56.148%0.47726%0.264SS..Hα-helixtrans-65.5-50172-75.8173.8-174.600111.3Q282 C284 C288 N289 M291Q282-E286 HydrophobicContact CG-CG 4.48Å; Q282-E286 PolarHBondContact NE2-OE1 3.11Å; Q282-E286 WeakPolarHBondContact O-CG 3.43Å; Q282-E286 PolarHBondContact O-N 2.85Å; C284-E286 VanDerWaalsContact C-N 3.34Å; C284-E286 PolarHBondContact O-N 3.46Å; E286-C288 VanDerWaalsContact C-N 3.32Å; E286-C288 PolarHBondContact O-N 2.91Å; E286-N289 WeakPolarHBondContact O-CA 3.34Å; E286-N289 PolarHBondContact O-N 2.94Å; E286-M291 HydrophobicContact CB-CG 4.27Å; E286-M291 HydrophobicContact CG-CE 4.15Å; E286-M291 HydrophobicContact CG-CG 3.51Å; E286-M291 HydrophobicContact CG-SD 3.91Å
287R96.6Very high95.8Very high100 Ų10058.1 Ų58.138%0.37727%0.265SS..Hα-helixtrans-61.4-38178.4179.2167.655.682.8-4113H265 P266 A283 C284 N289 D339H265-R287 PolarHBondContact CE1-O 2.86Å; H265-R287 PolarHBondContact ND1-O 2.86Å; P266-R287 PolarHBondContact O-NH1 3.05Å; A283-R287 VanDerWaalsContact O-CB 3.27Å; A283-R287 WeakPolarHBondContact O-CB 3.36Å; A283-R287 PolarHBondContact O-N 2.78Å; C284-R287 PolarHBondContact O-N 2.95Å; R287-N289 PolarHBondContact O-N 3.46Å; R287-D339 IonicContact CZ-OD2 2.78Å; R287-D339 IonicContact NH2-OD1 2.72Å; R287-D339 PolarHBondContact NH2-OD1 2.76Å; R287-D339 IonicContact NH2-OD2 3.58Å; R287-D339 PolarHBondContact NH2-OD2 2.85Å
288C96.9Very high95.8Very high0 Ų061.5 Ų61.50%027%0.274CS..THydrogen-bonded Turntrans-78.6-2.4175.5-610000112.7V262 N263 H265 C284 E286 I290V262-C288 HydrophobicContact CB-CB 4.21Å; V262-C288 HydrophobicContact CG1-CB 4.13Å; N263-C288 WeakPolarHBondContact CB-O 3.28Å; N263-C288 PolarHBondContact ND2-O 2.84Å; H265-C288 HydrophobicContact CB-CB 4.44Å; C284-C288 WeakPolarHBondContact O-CB 3.31Å; C284-C288 PolarHBondContact O-N 2.86Å; C284-C288 PolarHBondContact O-SG 3.33Å; E286-C288 VanDerWaalsContact C-N 3.32Å; E286-C288 PolarHBondContact O-N 2.91Å; C288-I290 VanDerWaalsContact C-N 3.32Å; C288-I290 HydrophobicContact CB-CG1 4.25Å; C288-I290 HydrophobicContact CB-CG2 4.43Å; C288-I290 PolarHBondContact O-N 3.23Å
289N96.5Very high95.6Very high93 Ų9364.1 Ų64.150%0.49730%0.295SS..THydrogen-bonded Turntrans53.147.3-177.7-171.118.5000112.5A285 E286 R287 R292A285-N289 PolarHBondContact O-N 3.43Å; E286-N289 WeakPolarHBondContact O-CA 3.34Å; E286-N289 PolarHBondContact O-N 2.94Å; R287-N289 PolarHBondContact O-N 3.46Å; N289-R292 VanDerWaalsContact O-CZ 3.31Å; N289-R292 PolarHBondContact O-NH1 3.36Å; N289-R292 PolarHBondContact O-NH2 3.5Å; N289-R292 PolarHBondContact OD1-NH1 2.94Å
290I96.6Very high95.3Very high4 Ų464.4 Ų64.42%0.02131%0.305CS..  trans-116.67.317761.9164.1000113.3V262 N263 M280 A285 C288 R292 L293 F330V262-I290 HydrophobicContact CG1-CD1 4Å; V262-I290 HydrophobicContact CG1-CG2 4.28Å; N263-I290 HydrophobicContact CB-CG2 3.94Å; M280-I290 HydrophobicContact CE-CD1 4.42Å; M280-I290 HydrophobicContact SD-CD1 3.69Å; A285-I290 HydrophobicContact CB-CD1 4.39Å; A285-I290 HydrophobicContact CB-CG1 4.02Å; A285-I290 WeakPolarHBondContact O-CG1 3.39Å; A285-I290 PolarHBondContact O-N 3.45Å; C288-I290 VanDerWaalsContact C-N 3.32Å; C288-I290 HydrophobicContact CB-CG1 4.25Å; C288-I290 HydrophobicContact CB-CG2 4.43Å; C288-I290 PolarHBondContact O-N 3.23Å; I290-R292 PolarHBondContact O-N 2.95Å; I290-L293 HydrophobicContact CB-CD1 4.19Å; I290-L293 HydrophobicContact CG2-CD1 4.29Å; I290-L293 WeakPolarHBondContact O-CB 3.42Å; I290-L293 PolarHBondContact O-N 2.9Å; I290-F330 HydrophobicContact CD1-CE2 3.87Å; I290-F330 HydrophobicContact CD1-CZ 3.84Å
291M96.1Very high94.6Very high49 Ų4970.1 Ų70.124%0.24134%0.335CS..G310 helixtrans-54.7-28177-72.5-61.7-80.400113.7Q282 A285 E286 L293 V294Q282-M291 HydrophobicContact CG-CE 4.13Å; A285-M291 HydrophobicContact CB-SD 3.72Å; E286-M291 HydrophobicContact CB-CG 4.27Å; E286-M291 HydrophobicContact CG-CE 4.15Å; E286-M291 HydrophobicContact CG-CG 3.51Å; E286-M291 HydrophobicContact CG-SD 3.91Å; M291-L293 PolarHBondContact O-N 2.93Å; M291-V294 PolarHBondContact O-N 3Å; M291-V294 HydrophobicContact SD-CG2 4.2Å
292R95.9Very high93.4Very high160 Ų16071.1 Ų71.160%0.60434%0.343SS*.G310 helixtrans-63.9-18.717465.3177176.1-83.7-9.5114.5N289 I290N289-R292 VanDerWaalsContact O-CZ 3.31Å; N289-R292 PolarHBondContact O-NH1 3.36Å; N289-R292 PolarHBondContact O-NH2 3.5Å; N289-R292 PolarHBondContact OD1-NH1 2.94Å; I290-R292 PolarHBondContact O-N 2.95Å
293L95.9Very high91.7Very high74 Ų7478.1 Ų78.139%0.38737%0.373SS..G310 helixtrans-94-6.3-179.1-55.1-179.5000112.7I290 M291 D295 V314I290-L293 HydrophobicContact CB-CD1 4.19Å; I290-L293 HydrophobicContact CG2-CD1 4.29Å; I290-L293 WeakPolarHBondContact O-CB 3.42Å; I290-L293 PolarHBondContact O-N 2.9Å; M291-L293 PolarHBondContact O-N 2.93Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-V314 HydrophobicContact CB-CG1 4.19Å; L293-V314 HydrophobicContact CB-CG2 4.43Å
294V96.8Very high90.3Very high17 Ų1778.1 Ų78.110%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-80112.4-173.7-176.50000110M291 R296 V314 I332M291-V294 PolarHBondContact O-N 3Å; M291-V294 HydrophobicContact SD-CG2 4.2Å; V294-R296 PolarHBondContact O-N 3.38Å; V294-V314 HydrophobicContact CG2-CG2 3.86Å; V294-I332 HydrophobicContact CG1-CB 4.4Å; V294-I332 HydrophobicContact CG1-CG1 4.02Å; V294-I332 HydrophobicContact CG2-CG1 3.79Å
295D96.9Very high88.3Confident24 Ų2485.7 Ų85.713%0.12843%0.425CS..EExtended strand (participates in β ladder)trans-81.1103.9173.9-172.7-6.3000110.3L293 R297 W298 G312 R313 H315L293-D295 PolarHBondContact O-N 2.94Å; D295-R297 PolarHBondContact O-N 2.86Å; D295-R297 VanDerWaalsContact OD1-CB 3.26Å; D295-R297 WeakPolarHBondContact OD1-CB 3.24Å; D295-R297 WeakPolarHBondContact OD1-CG 3.27Å; D295-R297 IonicContact OD1-CZ 2.81Å; D295-R297 PolarHBondContact OD1-N 2.85Å; D295-R297 IonicContact OD1-NE 3.41Å; D295-R297 PolarHBondContact OD1-NE 2.94Å; D295-R297 IonicContact OD1-NH2 3.31Å; D295-R297 IonicContact OD2-CZ 2.72Å; D295-R297 IonicContact OD2-NE 2.67Å; D295-R297 PolarHBondContact OD2-NE 2.79Å; D295-R297 IonicContact OD2-NH2 3.5Å; D295-R297 PolarHBondContact OD2-NH2 2.89Å; D295-W298 PolarHBondContact O-N 3.49Å; D295-G312 WeakPolarHBondContact O-CA 3.4Å; D295-R313 WeakPolarHBondContact CB-O 3.47Å; D295-R313 PolarHBondContact N-O 2.74Å; D295-R313 PolarHBondContact O-N 2.92Å; D295-H315 WeakPolarHBondContact CB-NE2 3.22Å; D295-H315 IonicContact OD2-CD2 3.52Å; D295-H315 IonicContact OD2-CE1 3.36Å; D295-H315 IonicContact OD2-NE2 3.51Å; D295-H315 PolarHBondContact OD2-NE2 2.93Å
296R95.8Very high86.9Confident165 Ų16587.9 Ų87.962%0.62345%0.448SS*.G310 helixtrans-71.7-9.7-179.9-64.9-178.9-179.2-94.92113.8V294 W298 A299V294-R296 PolarHBondContact O-N 3.38Å; R296-W298 PolarHBondContact O-N 2.85Å; R296-A299 WeakPolarHBondContact O-CB 3.29Å; R296-A299 PolarHBondContact O-N 2.96Å
297R94.2Very high85.9Confident207 Ų20788.5 Ų88.578%0.78146%0.458SS*.G310 helixtrans-65.7-19.4172.6-60.5175.8-63.9170.83.2112.2D295 A299D295-R297 PolarHBondContact O-N 2.86Å; D295-R297 VanDerWaalsContact OD1-CB 3.26Å; D295-R297 WeakPolarHBondContact OD1-CB 3.24Å; D295-R297 WeakPolarHBondContact OD1-CG 3.27Å; D295-R297 IonicContact OD1-CZ 2.81Å; D295-R297 PolarHBondContact OD1-N 2.85Å; D295-R297 IonicContact OD1-NE 3.41Å; D295-R297 PolarHBondContact OD1-NE 2.94Å; D295-R297 IonicContact OD1-NH2 3.31Å; D295-R297 IonicContact OD2-CZ 2.72Å; D295-R297 IonicContact OD2-NE 2.67Å; D295-R297 PolarHBondContact OD2-NE 2.79Å; D295-R297 IonicContact OD2-NH2 3.5Å; D295-R297 PolarHBondContact OD2-NH2 2.89Å; R297-A299 VanDerWaalsContact C-N 3.32Å
298W92.3Very high85.1Confident148 Ų14887.2 Ų87.256%0.56146%0.457SS*.G310 helixtrans-94.513.6174.3-68.872.5000112.5D295 R296 R313 H315D295-W298 PolarHBondContact O-N 3.49Å; R296-W298 PolarHBondContact O-N 2.85Å; W298-R313 HydrophobicContact CB-CB 3.7Å; W298-R313 HydrophobicContact CD2-CB 4.41Å; W298-R313 HydrophobicContact CG-CB 3.99Å; W298-H315 AromaticContact CD1-CE1 3.77Å; W298-H315 AromaticContact CE2-CE1 3.81Å; W298-H315 AromaticContact NE1-CE1 3.44Å; W298-H315 PolarHBondContact NE1-CE1 3.39Å; W298-H315 AromaticContact NE1-NE2 3.89Å
299A91.2Very high84.8Confident55 Ų5593 Ų9346%0.45548%0.482SS..  trans-64.8145.9170.500000110.3R296 R297 I310 I311R296-A299 WeakPolarHBondContact O-CB 3.29Å; R296-A299 PolarHBondContact O-N 2.96Å; R297-A299 VanDerWaalsContact C-N 3.32Å; A299-I310 VanDerWaalsContact CA-O 3.27Å; A299-I310 WeakPolarHBondContact CA-O 3.45Å; A299-I311 WeakPolarHBondContact CB-O 3.26Å
300G87.5Confident84.6Confident35 Ų3589.7 Ų89.736%0.36146%0.464SS..EExtended strand (participates in β ladder)trans176.2-172.4-177.600000111.9I310G300-I310 PolarHBondContact N-O 3.45Å; G300-I310 WeakPolarHBondContact O-CA 3.2Å; G300-I310 WeakPolarHBondContact O-CB 3.15Å; G300-I310 PolarHBondContact O-N 2.91Å
301I81.7Confident84.5Confident120 Ų12090.2 Ų90.262%0.61547%0.467SS*.EExtended strand (participates in β ladder)trans-109.5117.5176.3-59.2173.1000107.3K303I301-K303 PolarHBondContact O-N 3.07Å
302A70.8Confident84.5Confident27 Ų2787.9 Ų87.922%0.22346%0.455CS..EExtended strand (participates in β ladder)trans-73.3115.4170.100000108.2Q308 I310A302-Q308 PolarHBondContact N-O 2.8Å; A302-Q308 PolarHBondContact O-N 2.93Å; A302-I310 HydrophobicContact CB-CD1 3.77Å; A302-I310 HydrophobicContact CB-CG1 3.88Å
303K59.8Low84.5Confident197 Ų19782 Ų8286%0.85743%0.433SS*.EExtended strand (participates in β ladder)trans-91.8106.4168-67.6-171.6177.2-1730108I301I301-K303 PolarHBondContact O-N 3.07Å
304G64.9Low84.5Confident63 Ų6378.5 Ų78.565%0.64942%0.415SS*.SBendtrans-146.3-141.3177.600000110.6G306G304-G306 CarbonylContact C-O 3.53Å; G304-G306 PolarHBondContact N-O 2.99Å; G304-G306 VanDerWaalsContact N-O 3.16Å; G304-G306 PolarHBondContact O-N 2.83Å
305V55.8Low84.5Confident159 Ų15981.8 Ų81.896%0.96443%0.429SS*.SBendtrans-68.963.8170.1-163.90000109.5
306G67.1Low84.5Confident46 Ų4685.5 Ų85.547%0.47445%0.448SS..SBendtrans118.4163.4-169.400000113.8G304G304-G306 CarbonylContact C-O 3.53Å; G304-G306 PolarHBondContact N-O 2.99Å; G304-G306 VanDerWaalsContact N-O 3.16Å; G304-G306 PolarHBondContact O-N 2.83Å
307T74.6Confident84.5Confident115 Ų11578 Ų7871%0.70642%0.422SS*.EExtended strand (participates in β ladder)trans-94.1113170.8480000109.1
308Q80.5Confident84.6Confident73 Ų7372.5 Ų72.534%0.34141%0.405SS..EExtended strand (participates in β ladder)trans-122.8138.7176.3-68.617551.600110.6A302 I310 L333A302-Q308 PolarHBondContact N-O 2.8Å; A302-Q308 PolarHBondContact O-N 2.93Å; Q308-I310 PolarHBondContact O-N 2.9Å; Q308-L333 HydrophobicContact CB-CD2 3.73Å; Q308-L333 HydrophobicContact CG-CD2 4.43Å
309K89.5Confident84.8Confident121 Ų12165.6 Ų65.653%0.52638%0.379SS..EExtended strand (participates in β ladder)trans-82.7115.5-179.5-179.7163.2151-130.30110.1E334K309-E334 WeakPolarHBondContact CD-OE2 3.22Å; K309-E334 VanDerWaalsContact CE-OE2 3.27Å; K309-E334 WeakPolarHBondContact CE-OE2 3.37Å; K309-E334 IonicContact NZ-OE1 2.95Å; K309-E334 PolarHBondContact NZ-OE1 3.14Å; K309-E334 IonicContact NZ-OE2 3.24Å; K309-E334 PolarHBondContact NZ-OE2 3.24Å; K309-E334 PolarHBondContact O-N 3.34Å
310I92.5Very high85.2Confident25 Ų2565 Ų6513%0.12837%0.367CS..EExtended strand (participates in β ladder)trans-81.7120.6171-56.3165.5000107.5A299 G300 A302 Q308 I332 L333A299-I310 VanDerWaalsContact CA-O 3.27Å; A299-I310 WeakPolarHBondContact CA-O 3.45Å; G300-I310 PolarHBondContact N-O 3.45Å; G300-I310 WeakPolarHBondContact O-CA 3.2Å; G300-I310 WeakPolarHBondContact O-CB 3.15Å; G300-I310 PolarHBondContact O-N 2.91Å; A302-I310 HydrophobicContact CB-CD1 3.77Å; A302-I310 HydrophobicContact CB-CG1 3.88Å; Q308-I310 PolarHBondContact O-N 2.9Å; I310-I332 CarbonylContact C-O 3.54Å; I310-I332 WeakPolarHBondContact CA-O 3.33Å; I310-L333 HydrophobicContact CG1-CD1 4.16Å; I310-L333 HydrophobicContact CG1-CG 4.47Å
311I94.9Very high85.6Confident14 Ų1463.5 Ų63.57%0.07235%0.35CS..EExtended strand (participates in β ladder)trans-77.8-34.3177.5-59.1-179.9000111.1Q282 A299 I332 E334Q282-I311 HydrophobicContact CB-CD1 3.6Å; Q282-I311 VanDerWaalsContact CD-CD1 3.42Å; Q282-I311 HydrophobicContact CG-CD1 3.6Å; A299-I311 WeakPolarHBondContact CB-O 3.26Å; I311-I332 HydrophobicContact CB-CB 4.44Å; I311-I332 HydrophobicContact CB-CG2 4.33Å; I311-I332 HydrophobicContact CD1-CG2 4.26Å; I311-I332 PolarHBondContact N-O 3.17Å; I311-E334 HydrophobicContact CD1-CB 3.96Å; I311-E334 HydrophobicContact CD1-CG 4.45Å; I311-E334 HydrophobicContact CG1-CB 4.13Å
312G95.2Very high86.2Confident0 Ų063 Ų630%035%0.346CS..EExtended strand (participates in β ladder)trans168.5-167.5179.800000111.5D295 I332D295-G312 WeakPolarHBondContact O-CA 3.4Å; G312-I332 PolarHBondContact O-N 2.98Å
313R96Very high87.2Confident37 Ų3764.3 Ų64.314%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-129.6137.6-178.7-170.4175.7-179.286.90.4111.4D295 W298 S329 F330 S331D295-R313 WeakPolarHBondContact CB-O 3.47Å; D295-R313 PolarHBondContact N-O 2.74Å; D295-R313 PolarHBondContact O-N 2.92Å; W298-R313 HydrophobicContact CB-CB 3.7Å; W298-R313 HydrophobicContact CD2-CB 4.41Å; W298-R313 HydrophobicContact CG-CB 3.99Å; R313-S329 PolarHBondContact NH2-OG 3.44Å; R313-S329 VanDerWaalsContact NH2-OG 3.08Å; R313-F330 WeakPolarHBondContact CG-O 3.23Å; R313-S331 PolarHBondContact NH1-OG 3.38Å; R313-S331 VanDerWaalsContact NH1-OG 3.12Å
314V97.4Very high88.8Confident0 Ų057 Ų570%033%0.332CS..EExtended strand (participates in β ladder)trans-92.4113.1165.9178.50000107.5L293 V294 A317 S329 F330 I332L293-V314 HydrophobicContact CB-CG1 4.19Å; L293-V314 HydrophobicContact CB-CG2 4.43Å; V294-V314 HydrophobicContact CG2-CG2 3.86Å; V314-A317 HydrophobicContact CG1-CB 3.76Å; V314-S329 VanDerWaalsContact O-CA 3.32Å; V314-S329 WeakPolarHBondContact O-CA 3.47Å; V314-F330 HydrophobicContact CB-CD2 4.07Å; V314-F330 HydrophobicContact CB-CE2 3.82Å; V314-F330 HydrophobicContact CB-CZ 4.19Å; V314-F330 HydrophobicContact CG1-CE2 4.24Å; V314-F330 HydrophobicContact CG1-CZ 4.11Å; V314-F330 HydrophobicContact CG2-CD2 4.31Å; V314-F330 HydrophobicContact CG2-CE2 3.84Å; V314-F330 HydrophobicContact CG2-CZ 4.47Å; V314-F330 PolarHBondContact N-O 2.89Å; V314-F330 PolarHBondContact O-N 3.42Å; V314-I332 HydrophobicContact CG2-CD1 3.99Å; V314-I332 HydrophobicContact CG2-CG1 4.11Å
315H96.3Very high90.3Very high87 Ų8759.8 Ų59.840%0.40333%0.327SS..EExtended strand (participates in β ladder)trans-72.2-33.1-176.9-63.7-55.6000112.8D295 W298 S329D295-H315 WeakPolarHBondContact CB-NE2 3.22Å; D295-H315 IonicContact OD2-CD2 3.52Å; D295-H315 IonicContact OD2-CE1 3.36Å; D295-H315 IonicContact OD2-NE2 3.51Å; D295-H315 PolarHBondContact OD2-NE2 2.93Å; W298-H315 AromaticContact CD1-CE1 3.77Å; W298-H315 AromaticContact CE2-CE1 3.81Å; W298-H315 AromaticContact NE1-CE1 3.44Å; W298-H315 PolarHBondContact NE1-CE1 3.39Å; W298-H315 AromaticContact NE1-NE2 3.89Å; H315-S329 WeakPolarHBondContact O-CB 3.42Å
316L95.9Very high92.2Very high101 Ų10152.6 Ų52.653%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-156.5120.6-179.4-173.769.8000110.2P327 C328L316-P327 HydrophobicContact CD1-CB 3.55Å; L316-C328 CarbonylContact C-O 3.57Å; L316-C328 WeakPolarHBondContact CA-O 3.3Å
317A96.4Very high93.6Very high9 Ų952.6 Ų52.67%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-140.8149.9166.400000109.6V314 C328 F330V314-A317 HydrophobicContact CG1-CB 3.76Å; A317-C328 PolarHBondContact N-O 3.05Å; A317-C328 PolarHBondContact O-N 3.42Å; A317-F330 HydrophobicContact CB-CE1 3.96Å; A317-F330 HydrophobicContact CB-CZ 3.89Å
318Q96.4Very high94.7Very high90 Ų9047.2 Ų47.242%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-84117.4176.4-63.2-64.2-16.200109.3F325 L326Q318-F325 HydrophobicContact CB-CB 4.37Å; Q318-F325 HydrophobicContact CB-CD1 4.21Å; Q318-F325 PolarHBondContact OE1-O 3.3Å; Q318-L326 WeakPolarHBondContact CA-O 3.4Å; Q318-L326 PolarHBondContact OE1-O 2.95Å
319V97.3Very high95.4Very high4 Ų444.4 Ų44.42%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-99.4114.2171.3-179.30000106.9C260 V262 I321 L326 C328 F330 M340C260-V319 HydrophobicContact CB-CG1 3.95Å; V262-V319 HydrophobicContact CG2-CG1 4.44Å; V262-V319 HydrophobicContact CG2-CG2 4.28Å; V319-I321 HydrophobicContact CG1-CG1 4.34Å; V319-L326 PolarHBondContact N-O 2.99Å; V319-L326 PolarHBondContact O-N 3.37Å; V319-C328 HydrophobicContact CG2-CB 3.76Å; V319-F330 HydrophobicContact CG2-CE1 4.26Å; V319-M340 HydrophobicContact CG2-CE 3.99Å
320Q97.6Very high95.7Very high41 Ų4138.7 Ų38.719%0.19221%0.205CC..EExtended strand (participates in β ladder)trans-84.3121.6178.8-177.5-176.6-0.700109.9C260 K261 E322 D324 F325C260-Q320 CarbonylContact C-O 3.48Å; C260-Q320 WeakPolarHBondContact CA-O 3.24Å; C260-Q320 VanDerWaalsContact CB-O 3.26Å; C260-Q320 WeakPolarHBondContact CB-O 3.43Å; K261-Q320 HydrophobicContact CB-CB 4.12Å; K261-Q320 PolarHBondContact N-O 2.61Å; K261-Q320 PolarHBondContact O-N 3.5Å; Q320-E322 PolarHBondContact NE2-O 3.41Å; Q320-D324 CarbonylContact C-O 3.58Å; Q320-D324 WeakPolarHBondContact CA-O 3.33Å; Q320-F325 HydrophobicContact CB-CD1 3.93Å; Q320-F325 HydrophobicContact CB-CE1 3.84Å; Q320-F325 HydrophobicContact CB-CZ 4.49Å; Q320-F325 HydrophobicContact CG-CD1 4.27Å; Q320-F325 HydrophobicContact CG-CE1 3.94Å; Q320-F325 HydrophobicContact CG-CZ 4.09Å
321I96.3Very high95.9Very high4 Ų437.9 Ų37.92%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-118.4118.7171.5-57.4-177.8000106.6I258 C260 V319 G323 D324 L326 I363 T370I258-I321 HydrophobicContact CD1-CD1 3.91Å; C260-I321 HydrophobicContact CB-CG1 4.06Å; V319-I321 HydrophobicContact CG1-CG1 4.34Å; I321-G323 PolarHBondContact O-N 3.39Å; I321-G323 VanDerWaalsContact O-N 3.07Å; I321-D324 PolarHBondContact N-O 3.37Å; I321-D324 PolarHBondContact O-N 3.24Å; I321-L326 HydrophobicContact CD1-CD1 3.68Å; I321-L326 HydrophobicContact CG1-CD1 4.26Å; I321-I363 HydrophobicContact CD1-CD1 3.94Å; I321-T370 HydrophobicContact CG2-CG2 3.7Å
322E95.1Very high95.9Very high110 Ų11037.2 Ų37.251%0.51420%0.198SC..THydrogen-bonded Turntrans51.1-112.6-169.1-59.3-59.214900111.7Q320 T368Q320-E322 PolarHBondContact NE2-O 3.41Å; E322-T368 HydrophobicContact CB-CG2 3.89Å; E322-T368 HydrophobicContact CG-CG2 4.14Å
323G90.9Very high95.9Very high55 Ų5537.4 Ų37.457%0.56720%0.199SC*.THydrogen-bonded Turntrans-92.9-11.3177.800000115.1I321I321-G323 PolarHBondContact O-N 3.39Å; I321-G323 VanDerWaalsContact O-N 3.07Å
324D94.3Very high95.5Very high42 Ų4239 Ų3923%0.22521%0.208CC..EExtended strand (participates in β ladder)trans-99.3144.4-169.2-70.2-19.5000112.5Q320 I321 L326 T366 T368Q320-D324 CarbonylContact C-O 3.58Å; Q320-D324 WeakPolarHBondContact CA-O 3.33Å; I321-D324 PolarHBondContact N-O 3.37Å; I321-D324 PolarHBondContact O-N 3.24Å; D324-L326 HydrophobicContact CB-CD2 4.45Å; D324-T366 HydrophobicContact CB-CG2 4.47Å; D324-T366 WeakPolarHBondContact OD2-CB 3.31Å; D324-T366 WeakPolarHBondContact OD2-CG2 3.47Å; D324-T366 PolarHBondContact OD2-OG1 2.88Å; D324-T368 WeakPolarHBondContact OD2-CB 3.42Å; D324-T368 PolarHBondContact OD2-OG1 2.72Å
325F96.4Very high94.9Very high123 Ų12345.3 Ų45.354%0.53924%0.242SC..EExtended strand (participates in β ladder)trans-107108.8176.2-65.5-91.6000109.7Q318 Q320Q318-F325 HydrophobicContact CB-CB 4.37Å; Q318-F325 HydrophobicContact CB-CD1 4.21Å; Q318-F325 PolarHBondContact OE1-O 3.3Å; Q320-F325 HydrophobicContact CB-CD1 3.93Å; Q320-F325 HydrophobicContact CB-CE1 3.84Å; Q320-F325 HydrophobicContact CB-CZ 4.49Å; Q320-F325 HydrophobicContact CG-CD1 4.27Å; Q320-F325 HydrophobicContact CG-CE1 3.94Å; Q320-F325 HydrophobicContact CG-CZ 4.09Å
326L95.9Very high94.2Very high8 Ų842.6 Ų42.64%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-96.1123-177.9-56.6-175.4000110.7Q318 V319 I321 D324 C328 I363Q318-L326 WeakPolarHBondContact CA-O 3.4Å; Q318-L326 PolarHBondContact OE1-O 2.95Å; V319-L326 PolarHBondContact N-O 2.99Å; V319-L326 PolarHBondContact O-N 3.37Å; I321-L326 HydrophobicContact CD1-CD1 3.68Å; I321-L326 HydrophobicContact CG1-CD1 4.26Å; D324-L326 HydrophobicContact CB-CD2 4.45Å; L326-C328 PolarHBondContact O-N 2.83Å; L326-C328 VanDerWaalsContact O-N 3.12Å; L326-I363 HydrophobicContact CD1-CD1 4.02Å; L326-I363 HydrophobicContact CD1-CG1 4.25Å; L326-I363 HydrophobicContact CD1-CG2 3.88Å; L326-I363 HydrophobicContact CD2-CG2 3.96Å
327P96.9Very high93.6Very high45 Ų4542.5 Ų42.529%0.29224%0.235SC..EExtended strand (participates in β ladder)trans-73.7102.7175.426.6-33.3000111L316 R349 H350L316-P327 HydrophobicContact CD1-CB 3.55Å; P327-R349 PolarHBondContact O-NE 3.31Å; P327-H350 PolarHBondContact O-NE2 2.78Å
328C96.5Very high93.2Very high3 Ų343.9 Ų43.92%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-112.3151.8-178-58.90000112.7L316 A317 V319 L326 F330 M346L316-C328 CarbonylContact C-O 3.57Å; L316-C328 WeakPolarHBondContact CA-O 3.3Å; A317-C328 PolarHBondContact N-O 3.05Å; A317-C328 PolarHBondContact O-N 3.42Å; V319-C328 HydrophobicContact CG2-CB 3.76Å; L326-C328 PolarHBondContact O-N 2.83Å; L326-C328 VanDerWaalsContact O-N 3.12Å; C328-F330 HydrophobicContact CB-CD1 4.25Å; C328-F330 HydrophobicContact CB-CE1 4.44Å; C328-M346 VanDerWaalsContact CA-SD 3.57Å; C328-M346 HydrophobicContact CB-CG 4.22Å; C328-M346 HydrophobicContact CB-SD 3.71Å
329S96.2Very high93.1Very high14 Ų1442 Ų4210%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-119.8138.2170.4710000109.2R313 V314 H315 M346R313-S329 PolarHBondContact NH2-OG 3.44Å; R313-S329 VanDerWaalsContact NH2-OG 3.08Å; V314-S329 VanDerWaalsContact O-CA 3.32Å; V314-S329 WeakPolarHBondContact O-CA 3.47Å; H315-S329 WeakPolarHBondContact O-CB 3.42Å; S329-M346 PolarHBondContact N-SD 2.98Å; S329-M346 VanDerWaalsContact N-SD 3.41Å
330F96.4Very high93Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-154.2153-177.245.1-95.9000112.6T278 M280 I290 R313 V314 A317 V319 C328 I332 M340T278-F330 HydrophobicContact CG2-CB 3.63Å; T278-F330 HydrophobicContact CG2-CD1 4.47Å; T278-F330 HydrophobicContact CG2-CG 4.41Å; T278-F330 VanDerWaalsContact O-CA 3.29Å; T278-F330 WeakPolarHBondContact O-CA 3.36Å; T278-F330 VanDerWaalsContact O-CB 3.27Å; T278-F330 WeakPolarHBondContact O-CB 3.41Å; M280-F330 HydrophobicContact CB-CD2 3.72Å; M280-F330 HydrophobicContact CB-CE2 3.97Å; M280-F330 HydrophobicContact CE-CD2 4.3Å; M280-F330 HydrophobicContact CE-CE1 4.29Å; M280-F330 HydrophobicContact CE-CE2 3.64Å; M280-F330 HydrophobicContact CE-CZ 3.64Å; M280-F330 HydrophobicContact CG-CE2 4.44Å; M280-F330 HydrophobicContact SD-CD2 4.35Å; M280-F330 HydrophobicContact SD-CE2 3.61Å; M280-F330 HydrophobicContact SD-CZ 4.11Å; I290-F330 HydrophobicContact CD1-CE2 3.87Å; I290-F330 HydrophobicContact CD1-CZ 3.84Å; R313-F330 WeakPolarHBondContact CG-O 3.23Å; V314-F330 HydrophobicContact CB-CD2 4.07Å; V314-F330 HydrophobicContact CB-CE2 3.82Å; V314-F330 HydrophobicContact CB-CZ 4.19Å; V314-F330 HydrophobicContact CG1-CE2 4.24Å; V314-F330 HydrophobicContact CG1-CZ 4.11Å; V314-F330 HydrophobicContact CG2-CD2 4.31Å; V314-F330 HydrophobicContact CG2-CE2 3.84Å; V314-F330 HydrophobicContact CG2-CZ 4.47Å; V314-F330 PolarHBondContact N-O 2.89Å; V314-F330 PolarHBondContact O-N 3.42Å; A317-F330 HydrophobicContact CB-CE1 3.96Å; A317-F330 HydrophobicContact CB-CZ 3.89Å; V319-F330 HydrophobicContact CG2-CE1 4.26Å; C328-F330 HydrophobicContact CB-CD1 4.25Å; C328-F330 HydrophobicContact CB-CE1 4.44Å; F330-I332 HydrophobicContact CD2-CD1 3.74Å; F330-I332 HydrophobicContact CE2-CD1 3.82Å; F330-M340 HydrophobicContact CD1-CE 4.27Å; F330-M340 HydrophobicContact CE1-CE 4.49Å
331S95.3Very high92.9Very high8 Ų840.8 Ų40.86%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-87.3145.1176.1-62.40000110.4T278 I279 M280 R313T278-S331 PolarHBondContact O-N 3.23Å; T278-S331 VanDerWaalsContact O-N 3.1Å; I279-S331 WeakPolarHBondContact CA-O 3.45Å; M280-S331 PolarHBondContact N-O 3.12Å; R313-S331 PolarHBondContact NH1-OG 3.38Å; R313-S331 VanDerWaalsContact NH1-OG 3.12Å
332I95.9Very high92.9Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-100.8125.7177.4-52.3-54.9000109.8M280 Q282 A285 V294 I310 I311 G312 V314 F330M280-I332 HydrophobicContact CB-CD1 3.85Å; M280-I332 HydrophobicContact CG-CD1 4.35Å; M280-I332 VanDerWaalsContact O-CA 3.28Å; M280-I332 WeakPolarHBondContact O-CA 3.46Å; M280-I332 HydrophobicContact SD-CD1 4.48Å; Q282-I332 HydrophobicContact CB-CG2 4.35Å; A285-I332 HydrophobicContact CB-CD1 4.11Å; A285-I332 HydrophobicContact CB-CG2 4.36Å; V294-I332 HydrophobicContact CG1-CB 4.4Å; V294-I332 HydrophobicContact CG1-CG1 4.02Å; V294-I332 HydrophobicContact CG2-CG1 3.79Å; I310-I332 CarbonylContact C-O 3.54Å; I310-I332 WeakPolarHBondContact CA-O 3.33Å; I311-I332 HydrophobicContact CB-CB 4.44Å; I311-I332 HydrophobicContact CB-CG2 4.33Å; I311-I332 HydrophobicContact CD1-CG2 4.26Å; I311-I332 PolarHBondContact N-O 3.17Å; G312-I332 PolarHBondContact O-N 2.98Å; V314-I332 HydrophobicContact CG2-CD1 3.99Å; V314-I332 HydrophobicContact CG2-CG1 4.11Å; F330-I332 HydrophobicContact CD2-CD1 3.74Å; F330-I332 HydrophobicContact CE2-CD1 3.82Å
333L93.8Very high93Very high5 Ų535.9 Ų35.93%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-114.1143.4-179.5-84.773.3000110.1I279 M280 S281 Q282 Q308 I310I279-L333 HydrophobicContact CB-CD1 4.32Å; I279-L333 HydrophobicContact CD1-CD1 4.28Å; I279-L333 HydrophobicContact CD1-CD2 4.31Å; I279-L333 HydrophobicContact CG1-CD1 4.14Å; I279-L333 HydrophobicContact CG2-CB 4.05Å; I279-L333 HydrophobicContact CG2-CD1 3.28Å; I279-L333 HydrophobicContact CG2-CD2 4.07Å; I279-L333 HydrophobicContact CG2-CG 3.95Å; M280-L333 PolarHBondContact O-N 3.45Å; S281-L333 CarbonylContact C-O 3.53Å; S281-L333 WeakPolarHBondContact CA-O 3.34Å; Q282-L333 PolarHBondContact N-O 3.14Å; Q308-L333 HydrophobicContact CB-CD2 3.73Å; Q308-L333 HydrophobicContact CG-CD2 4.43Å; I310-L333 HydrophobicContact CG1-CD1 4.16Å; I310-L333 HydrophobicContact CG1-CG 4.47Å
334E89.4Confident93.2Very high69 Ų6936 Ų3632%0.32219%0.192SC..SBendtrans-69.9-59.1-177.3-171.3165.5-151.800111.3K309 I311K309-E334 WeakPolarHBondContact CD-OE2 3.22Å; K309-E334 VanDerWaalsContact CE-OE2 3.27Å; K309-E334 WeakPolarHBondContact CE-OE2 3.37Å; K309-E334 IonicContact NZ-OE1 2.95Å; K309-E334 PolarHBondContact NZ-OE1 3.14Å; K309-E334 IonicContact NZ-OE2 3.24Å; K309-E334 PolarHBondContact NZ-OE2 3.24Å; K309-E334 PolarHBondContact O-N 3.34Å; I311-E334 HydrophobicContact CD1-CB 3.96Å; I311-E334 HydrophobicContact CD1-CG 4.45Å; I311-E334 HydrophobicContact CG1-CB 4.13Å
335D83.9Confident93.3Very high133 Ų13335.9 Ų35.971%0.71119%0.192SC*.SBendtrans-110105.9-176.7-65.8-44.3000110.7
336Q81.6Confident93.3Very high30 Ų3030.4 Ų30.414%0.1417%0.168CC..  trans-146.9133.1175-174.6-179.6-14.900110.2M338Q336-M338 VanDerWaalsContact C-N 3.31Å; Q336-M338 HydrophobicContact CG-CE 4.3Å; Q336-M338 HydrophobicContact CG-CG 4Å; Q336-M338 PolarHBondContact O-N 3.43Å
337P82.9Confident93.3Very high99 Ų9930.5 Ų30.564%0.64317%0.168SC*.SBendtrans-70.9-25.3-175.325.5-33000113.6C381P337-C381 HydrophobicContact CB-CB 4.2Å; P337-C381 PolarHBondContact O-SG 2.81Å
338M88.8Confident93.4Very high38 Ų3835.3 Ų35.319%0.18718%0.184CC..SBendtrans-104.5150.7178.870.6-144.672.600111.1F270 Q336 L341F270-M338 HydrophobicContact CB-SD 4.11Å; F270-M338 HydrophobicContact CD1-SD 3.78Å; F270-M338 HydrophobicContact CG-SD 4.25Å; Q336-M338 VanDerWaalsContact C-N 3.31Å; Q336-M338 HydrophobicContact CG-CE 4.3Å; Q336-M338 HydrophobicContact CG-CG 4Å; Q336-M338 PolarHBondContact O-N 3.43Å; M338-L341 HydrophobicContact SD-CB 4.27Å; M338-L341 HydrophobicContact SD-CD1 4.18Å
339D93.8Very high93.4Very high52 Ų5241.7 Ų41.728%0.27821%0.208SC..SBendtrans-65.6-46.1-178.3-82.6-36.4000113.1V267 M280 S281 C284 R287V267-D339 HydrophobicContact CG1-CB 4Å; M280-D339 WeakPolarHBondContact CA-O 3.3Å; M280-D339 WeakPolarHBondContact CG-O 3.4Å; S281-D339 PolarHBondContact N-O 2.78Å; C284-D339 HydrophobicContact CB-CB 3.99Å; C284-D339 WeakPolarHBondContact CB-O 3.45Å; R287-D339 IonicContact CZ-OD2 2.78Å; R287-D339 IonicContact NH2-OD1 2.72Å; R287-D339 PolarHBondContact NH2-OD1 2.76Å; R287-D339 IonicContact NH2-OD2 3.58Å; R287-D339 PolarHBondContact NH2-OD2 2.85Å
340M95.3Very high93.4Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-149.9138-175.2-173.5175.2-179.600109.9V262 V267 A269 F270 T278 I279 M280 V319 F330V262-M340 HydrophobicContact CG2-SD 4.45Å; V267-M340 HydrophobicContact CG1-CB 3.72Å; V267-M340 HydrophobicContact CG1-SD 4.38Å; A269-M340 WeakPolarHBondContact CA-O 3.48Å; A269-M340 HydrophobicContact CB-CB 4.33Å; A269-M340 HydrophobicContact CB-CG 4.34Å; A269-M340 HydrophobicContact CB-SD 4.41Å; F270-M340 PolarHBondContact N-O 3.33Å; T278-M340 HydrophobicContact CG2-CE 3.83Å; I279-M340 CarbonylContact O-C 3.57Å; I279-M340 WeakPolarHBondContact O-CA 3.47Å; M280-M340 HydrophobicContact CE-CB 4.49Å; M280-M340 HydrophobicContact CE-CE 4.26Å; M280-M340 HydrophobicContact CE-CG 4.13Å; M280-M340 HydrophobicContact CE-SD 3.58Å; M280-M340 VanDerWaalsContact CE-SD 3.58Å; V319-M340 HydrophobicContact CG2-CE 3.99Å; F330-M340 HydrophobicContact CD1-CE 4.27Å; F330-M340 HydrophobicContact CE1-CE 4.49Å
341L95.7Very high93.4Very high17 Ų1748.1 Ų48.19%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-116.5120.2172.2-177160000107.9F270 D272 A275 T278 I279 M338F270-L341 HydrophobicContact CD1-CD1 3.85Å; F270-L341 HydrophobicContact CD1-CG 3.93Å; F270-L341 HydrophobicContact CE1-CD1 4.26Å; F270-L341 CarbonylContact O-C 3.59Å; F270-L341 WeakPolarHBondContact O-CA 3.42Å; D272-L341 HydrophobicContact CB-CD1 4.33Å; D272-L341 HydrophobicContact CB-CD2 4.15Å; D272-L341 HydrophobicContact CB-CG 4.18Å; A275-L341 HydrophobicContact CB-CD1 4.3Å; A275-L341 HydrophobicContact CB-CD2 3.46Å; A275-L341 VanDerWaalsContact CB-CD2 3.46Å; T278-L341 CarbonylContact C-O 3.44Å; T278-L341 VanDerWaalsContact CA-O 3.29Å; T278-L341 WeakPolarHBondContact CA-O 3.43Å; T278-L341 WeakPolarHBondContact CG2-O 3.16Å; I279-L341 HydrophobicContact CB-CB 4.49Å; I279-L341 PolarHBondContact N-O 2.88Å; I279-L341 PolarHBondContact O-N 3.38Å; M338-L341 HydrophobicContact SD-CB 4.27Å; M338-L341 HydrophobicContact SD-CD1 4.18Å
342L96.6Very high93.5Very high12 Ų1249.1 Ų49.16%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-89.9101.9174.1-170.468.6000109.7I258 F270 D272 T278 M346 L347 L361I258-L342 HydrophobicContact CD1-CD2 4.37Å; F270-L342 PolarHBondContact O-N 2.97Å; D272-L342 PolarHBondContact N-O 2.95Å; T278-L342 HydrophobicContact CG2-CD1 4.25Å; L342-M346 HydrophobicContact CD1-CB 3.59Å; L342-M346 HydrophobicContact CD1-CG 4.29Å; L342-L347 HydrophobicContact CD2-CD2 3.8Å; L342-L347 HydrophobicContact CD2-CG 4.46Å; L342-L347 HydrophobicContact CG-CD2 4.19Å; L342-L347 HydrophobicContact CG-CG 4.32Å; L342-L361 HydrophobicContact CD2-CD2 4.28Å
343G96Very high93.6Very high0 Ų052.1 Ų52.10%026%0.264CS..  trans-87.4175.8-175.300000113.5D272 T278 D345 M346 L347D272-G343 WeakPolarHBondContact O-CA 3.37Å; T278-G343 PolarHBondContact OG1-N 3.37Å; G343-D345 PolarHBondContact O-N 3.15Å; G343-M346 PolarHBondContact O-N 2.94Å; G343-L347 VanDerWaalsContact O-CG 3.29Å; G343-L347 WeakPolarHBondContact O-CG 3.17Å; G343-L347 PolarHBondContact O-N 2.9Å
344L96.7Very high93.8Very high57 Ų5754.4 Ų54.430%0.29828%0.276SS..Hα-helixtrans-60.5-29.3-178.5-168.863.4000113.4A275 K348A275-L344 VanDerWaalsContact O-CB 3.3Å; A275-L344 WeakPolarHBondContact O-CB 3.48Å; A275-L344 PolarHBondContact O-N 2.55Å; L344-K348 HydrophobicContact CD1-CD 4.32Å; L344-K348 HydrophobicContact CD1-CG 4.06Å; L344-K348 HydrophobicContact CD2-CD 4.47Å; L344-K348 HydrophobicContact CG-CD 4.03Å; L344-K348 HydrophobicContact CG-CG 4.16Å; L344-K348 VanDerWaalsContact O-CB 3.29Å; L344-K348 WeakPolarHBondContact O-CB 2.97Å; L344-K348 WeakPolarHBondContact O-CG 3.13Å; L344-K348 PolarHBondContact O-N 3.05Å
345D95.3Very high94.1Very high40 Ų4052.8 Ų52.821%0.21427%0.269CS..Hα-helixtrans-58.2-49.2176.258.6-13.3000112.4Q276 M277 T278 G343 R349Q276-D345 WeakPolarHBondContact O-CB 3.31Å; Q276-D345 PolarHBondContact O-N 3.04Å; M277-D345 WeakPolarHBondContact CA-OD2 3.4Å; T278-D345 WeakPolarHBondContact CB-OD1 3.25Å; T278-D345 VanDerWaalsContact N-CG 3.31Å; T278-D345 PolarHBondContact N-OD1 3.28Å; T278-D345 PolarHBondContact N-OD2 3.13Å; T278-D345 VanDerWaalsContact N-OD2 3.08Å; T278-D345 PolarHBondContact OG1-OD1 3.13Å; G343-D345 PolarHBondContact O-N 3.15Å; D345-R349 VanDerWaalsContact O-CB 3.25Å; D345-R349 WeakPolarHBondContact O-CB 3.27Å; D345-R349 PolarHBondContact O-N 2.74Å; D345-R349 VanDerWaalsContact O-N 3.1Å
346M96.1Very high94.6Very high7 Ų752 Ų523%0.03427%0.265CS..Hα-helixtrans-79.5-35.8179.1-65.2-58.298.800111.9T278 C328 S329 L342 G343 K348 R349 H350T278-M346 HydrophobicContact CG2-CG 4.06Å; T278-M346 WeakPolarHBondContact OG1-CB 3.17Å; T278-M346 WeakPolarHBondContact OG1-CG 3.27Å; C328-M346 VanDerWaalsContact CA-SD 3.57Å; C328-M346 HydrophobicContact CB-CG 4.22Å; C328-M346 HydrophobicContact CB-SD 3.71Å; S329-M346 PolarHBondContact N-SD 2.98Å; S329-M346 VanDerWaalsContact N-SD 3.41Å; L342-M346 HydrophobicContact CD1-CB 3.59Å; L342-M346 HydrophobicContact CD1-CG 4.29Å; G343-M346 PolarHBondContact O-N 2.94Å; M346-K348 VanDerWaalsContact C-N 3.35Å; M346-K348 PolarHBondContact O-N 2.77Å; M346-R349 PolarHBondContact O-N 2.82Å; M346-H350 PolarHBondContact O-CD2 3.39Å; M346-H350 VanDerWaalsContact O-CD2 3.29Å; M346-H350 PolarHBondContact O-N 2.52Å
347L97.3Very high95.1Very high10 Ų1060.3 Ų60.35%0.05230%0.3CS..Hα-helixtrans-58.4-46.2174-68.5170.3000111.4V271 L342 G343 Q351 C352 I354 L361V271-L347 HydrophobicContact CG1-CD1 4.26Å; V271-L347 HydrophobicContact CG1-CD2 4.14Å; L342-L347 HydrophobicContact CD2-CD2 3.8Å; L342-L347 HydrophobicContact CD2-CG 4.46Å; L342-L347 HydrophobicContact CG-CD2 4.19Å; L342-L347 HydrophobicContact CG-CG 4.32Å; G343-L347 VanDerWaalsContact O-CG 3.29Å; G343-L347 WeakPolarHBondContact O-CG 3.17Å; G343-L347 PolarHBondContact O-N 2.9Å; L347-Q351 PolarHBondContact O-N 2.94Å; L347-Q351 VanDerWaalsContact O-N 3.16Å; L347-C352 HydrophobicContact CB-CB 4.38Å; L347-C352 HydrophobicContact CD2-CB 3.74Å; L347-C352 PolarHBondContact O-N 2.84Å; L347-I354 HydrophobicContact CD1-CD1 4.37Å; L347-L361 HydrophobicContact CD2-CD1 4.18Å
348K97.1Very high95.6Very high146 Ų14661.6 Ų61.664%0.63530%0.296SS*.Hα-helixtrans-68.1-42175.8-76.1-176.4173.8179.30112.3L344 M346 H350 Q351L344-K348 HydrophobicContact CD1-CD 4.32Å; L344-K348 HydrophobicContact CD1-CG 4.06Å; L344-K348 HydrophobicContact CD2-CD 4.47Å; L344-K348 HydrophobicContact CG-CD 4.03Å; L344-K348 HydrophobicContact CG-CG 4.16Å; L344-K348 VanDerWaalsContact O-CB 3.29Å; L344-K348 WeakPolarHBondContact O-CB 2.97Å; L344-K348 WeakPolarHBondContact O-CG 3.13Å; L344-K348 PolarHBondContact O-N 3.05Å; M346-K348 VanDerWaalsContact C-N 3.35Å; M346-K348 PolarHBondContact O-N 2.77Å; K348-H350 VanDerWaalsContact C-N 3.29Å; K348-H350 PolarHBondContact O-N 2.59Å; K348-Q351 PolarHBondContact O-N 2.8Å; K348-Q351 VanDerWaalsContact O-N 3.13Å
349R96.6Very high95.9Very high138 Ų13863.6 Ų63.652%0.52131%0.307SS..Hα-helixtrans-57.6-41.5-179.7-178.4-177.4-176.9109.42.9112.4P327 D345 M346P327-R349 PolarHBondContact O-NE 3.31Å; D345-R349 VanDerWaalsContact O-CB 3.25Å; D345-R349 WeakPolarHBondContact O-CB 3.27Å; D345-R349 PolarHBondContact O-N 2.74Å; D345-R349 VanDerWaalsContact O-N 3.1Å; M346-R349 PolarHBondContact O-N 2.82Å
350H96.9Very high96Very high12 Ų1262.6 Ų62.66%0.05630%0.302CS..THydrogen-bonded Turntrans-96.210-179.7-62.1-66.1000113.6P327 M346 K348 C352 I363 G364 T365P327-H350 PolarHBondContact O-NE2 2.78Å; M346-H350 PolarHBondContact O-CD2 3.39Å; M346-H350 VanDerWaalsContact O-CD2 3.29Å; M346-H350 PolarHBondContact O-N 2.52Å; K348-H350 VanDerWaalsContact C-N 3.29Å; K348-H350 PolarHBondContact O-N 2.59Å; H350-C352 PolarHBondContact O-N 2.78Å; H350-I363 HydrophobicContact CB-CG2 4.26Å; H350-G364 PolarHBondContact O-N 3.31Å; H350-G364 VanDerWaalsContact O-N 3.16Å; H350-T365 PolarHBondContact O-N 2.65Å; H350-T365 VanDerWaalsContact O-N 3.16Å
351Q96.9Very high96.1Very high137 Ų13762.5 Ų62.564%0.6430%0.301SS*.THydrogen-bonded Turntrans51.742.3179.7-57.7-177.8-62.400112.4L347 K348 G364L347-Q351 PolarHBondContact O-N 2.94Å; L347-Q351 VanDerWaalsContact O-N 3.16Å; K348-Q351 PolarHBondContact O-N 2.8Å; K348-Q351 VanDerWaalsContact O-N 3.13Å; Q351-G364 WeakPolarHBondContact O-CA 3.27Å; Q351-G364 PolarHBondContact O-N 2.99Å
352C97.4Very high96.2Very high28 Ų2863.3 Ų63.319%0.18931%0.305CS..  trans-67.6145.2-175.8-600000111.8L347 H350 L361 I362L347-C352 HydrophobicContact CB-CB 4.38Å; L347-C352 HydrophobicContact CD2-CB 3.74Å; L347-C352 PolarHBondContact O-N 2.84Å; H350-C352 PolarHBondContact O-N 2.78Å; C352-L361 HydrophobicContact CB-CD1 4.04Å; C352-I362 CarbonylContact C-O 3.51Å; C352-I362 WeakPolarHBondContact CA-O 3.29Å
353S97.7Very high96.2Very high63 Ų6362.8 Ų62.844%0.44130%0.302SS..EExtended strand (participates in β ladder)trans-116.2121.4170.8-1710000109.5D355 I362S353-D355 PolarHBondContact O-N 3.2Å; S353-I362 PolarHBondContact N-O 2.78Å; S353-I362 PolarHBondContact O-N 3.31Å
354I97.4Very high96.1Very high54 Ų5464.6 Ų64.628%0.27732%0.322SS..EExtended strand (participates in β ladder)trans-86.997.5174.4-61.6173.6000106.8L256 V271 L347 L356 L361 F372L256-I354 HydrophobicContact CD1-CG2 3.82Å; V271-I354 HydrophobicContact CG1-CD1 3.9Å; V271-I354 HydrophobicContact CG1-CG1 4.32Å; L347-I354 HydrophobicContact CD1-CD1 4.37Å; I354-L356 HydrophobicContact CG2-CD2 3.76Å; I354-L356 HydrophobicContact CG2-CG 4.13Å; I354-L356 PolarHBondContact O-N 2.83Å; I354-L361 HydrophobicContact CG1-CD1 3.77Å; I354-F372 HydrophobicContact CG2-CE2 4.19Å; I354-F372 HydrophobicContact CG2-CZ 3.91Å
355D96Very high95.9Very high34 Ų3465.3 Ų65.318%0.18233%0.328CS..EExtended strand (participates in β ladder)trans-93.993.3-179.8-172-19.6000109.9S353 K357 K358 N359 L360 I362S353-D355 PolarHBondContact O-N 3.2Å; D355-K357 VanDerWaalsContact C-N 3.26Å; D355-K357 PolarHBondContact O-N 3.21Å; D355-K357 WeakPolarHBondContact OD1-CA 3.39Å; D355-K357 WeakPolarHBondContact OD1-CB 3.47Å; D355-K357 PolarHBondContact OD1-N 3.46Å; D355-K358 PolarHBondContact OD1-N 3.22Å; D355-K358 WeakPolarHBondContact OD2-CD 3.38Å; D355-K358 WeakPolarHBondContact OD2-CG 3.28Å; D355-N359 CarbonylContact O-C 3.49Å; D355-N359 VanDerWaalsContact O-CA 3.25Å; D355-N359 WeakPolarHBondContact O-CA 3.5Å; D355-N359 PolarHBondContact O-N 3.04Å; D355-L360 PolarHBondContact N-O 3.5Å; D355-L360 PolarHBondContact O-N 3.32Å; D355-I362 HydrophobicContact CB-CD1 4.27Å
356L94.3Very high95.8Very high118 Ų11866.7 Ų66.762%0.61834%0.338SS*.THydrogen-bonded Turntrans-73.1-17.9176.8-58.2179.6000113L256 I354 F372L256-L356 HydrophobicContact CD1-CD2 3.96Å; L256-L356 HydrophobicContact CD2-CD2 3.89Å; I354-L356 HydrophobicContact CG2-CD2 3.76Å; I354-L356 HydrophobicContact CG2-CG 4.13Å; I354-L356 PolarHBondContact O-N 2.83Å; L356-F372 HydrophobicContact CD2-CE2 4.48Å
357K93Very high95.7Very high203 Ų20368.7 Ų68.788%0.88336%0.36SS*.THydrogen-bonded Turntrans-74.5-40.2177.2-178.9178.8178.8177.80110.9D355D355-K357 VanDerWaalsContact C-N 3.26Å; D355-K357 PolarHBondContact O-N 3.21Å; D355-K357 WeakPolarHBondContact OD1-CA 3.39Å; D355-K357 WeakPolarHBondContact OD1-CB 3.47Å; D355-K357 PolarHBondContact OD1-N 3.46Å
358K93.8Very high95.6Very high127 Ų12769.8 Ų69.855%0.55237%0.368SS*.THydrogen-bonded Turntrans-93-10.6174.9-63.3-176.6-174.1174.10113.6D355 L360D355-K358 PolarHBondContact OD1-N 3.22Å; D355-K358 WeakPolarHBondContact OD2-CD 3.38Å; D355-K358 WeakPolarHBondContact OD2-CG 3.28Å; K358-L360 HydrophobicContact CB-CD1 3.88Å; K358-L360 HydrophobicContact CB-CG 3.94Å; K358-L360 HydrophobicContact CD-CD1 4.17Å
359N93.7Very high95.6Very high79 Ų7967.5 Ų67.542%0.42236%0.359SS..THydrogen-bonded Turntrans6045.5-173.1-158.940.6000113.1D355 F372D355-N359 CarbonylContact O-C 3.49Å; D355-N359 VanDerWaalsContact O-CA 3.25Å; D355-N359 WeakPolarHBondContact O-CA 3.5Å; D355-N359 PolarHBondContact O-N 3.04Å; N359-F372 WeakPolarHBondContact O-CD2 3.44Å; N359-F372 PolarHBondContact O-N 3.45Å; N359-F372 WeakPolarHBondContact OD1-CD2 3.43Å
360L96.7Very high95.6Very high31 Ų3161 Ų6116%0.16234%0.335CS..EExtended strand (participates in β ladder)trans-129148.5-178.1-55.7174.1000111.4D355 K358 E369 T370 R371 F372D355-L360 PolarHBondContact N-O 3.5Å; D355-L360 PolarHBondContact O-N 3.32Å; K358-L360 HydrophobicContact CB-CD1 3.88Å; K358-L360 HydrophobicContact CB-CG 3.94Å; K358-L360 HydrophobicContact CD-CD1 4.17Å; L360-E369 HydrophobicContact CD1-CB 4.35Å; L360-T370 CarbonylContact C-O 3.51Å; L360-T370 WeakPolarHBondContact CA-O 3.08Å; L360-R371 HydrophobicContact CD2-CB 3.77Å; L360-F372 VanDerWaalsContact O-CE2 3.31Å; L360-F372 WeakPolarHBondContact O-CE2 3.15Å
361L97.7Very high95.6Very high0 Ų066.1 Ų66.10%035%0.354CS..EExtended strand (participates in β ladder)trans-97.9120.8160.2-176.572.8000108.8I258 V271 L342 L347 C352 I354 I363 T370 F372I258-L361 HydrophobicContact CD1-CD2 3.62Å; I258-L361 HydrophobicContact CG2-CB 4.14Å; I258-L361 HydrophobicContact CG2-CD2 4.24Å; V271-L361 HydrophobicContact CG1-CD1 4.47Å; V271-L361 HydrophobicContact CG2-CD2 4.39Å; L342-L361 HydrophobicContact CD2-CD2 4.28Å; L347-L361 HydrophobicContact CD2-CD1 4.18Å; C352-L361 HydrophobicContact CB-CD1 4.04Å; I354-L361 HydrophobicContact CG1-CD1 3.77Å; L361-I363 HydrophobicContact CD2-CD1 4.11Å; L361-I363 HydrophobicContact CG-CD1 4.33Å; L361-T370 HydrophobicContact CB-CG2 3.82Å; L361-T370 HydrophobicContact CD2-CG2 4.37Å; L361-T370 PolarHBondContact N-O 3.2Å; L361-T370 PolarHBondContact O-N 2.95Å; L361-F372 HydrophobicContact CB-CE1 3.91Å; L361-F372 HydrophobicContact CB-CZ 3.83Å; L361-F372 HydrophobicContact CD1-CZ 4.41Å
362I97.6Very high95.6Very high33 Ų3359.9 Ų59.917%0.16933%0.325CS..EExtended strand (participates in β ladder)trans-101.6126.5178.3-51.5175.1000108.3C352 S353 D355 G364 E369C352-I362 CarbonylContact C-O 3.51Å; C352-I362 WeakPolarHBondContact CA-O 3.29Å; S353-I362 PolarHBondContact N-O 2.78Å; S353-I362 PolarHBondContact O-N 3.31Å; D355-I362 HydrophobicContact CB-CD1 4.27Å; I362-G364 PolarHBondContact O-N 3.26Å; I362-E369 HydrophobicContact CG1-CG 4.16Å; I362-E369 HydrophobicContact CG2-CG 4.35Å
363I97Very high95.4Very high1 Ų158.8 Ų58.81%0.00532%0.317CS..  trans-87.6103.4175.9-52.4-55.7000108.7I321 L326 H350 L361 T365 T366 G367 T368I321-I363 HydrophobicContact CD1-CD1 3.94Å; L326-I363 HydrophobicContact CD1-CD1 4.02Å; L326-I363 HydrophobicContact CD1-CG1 4.25Å; L326-I363 HydrophobicContact CD1-CG2 3.88Å; L326-I363 HydrophobicContact CD2-CG2 3.96Å; H350-I363 HydrophobicContact CB-CG2 4.26Å; L361-I363 HydrophobicContact CD2-CD1 4.11Å; L361-I363 HydrophobicContact CG-CD1 4.33Å; I363-T365 VanDerWaalsContact C-N 3.28Å; I363-T365 PolarHBondContact O-N 2.7Å; I363-T366 PolarHBondContact O-N 3.37Å; I363-G367 WeakPolarHBondContact O-CA 3.29Å; I363-G367 PolarHBondContact O-N 3.44Å; I363-T368 PolarHBondContact N-O 3.45Å
364G93.6Very high95Very high39 Ų3958.5 Ų58.540%0.40232%0.315SS..THydrogen-bonded Turntrans-61.3-32.6-171.700000114.5H350 Q351 I362 T366H350-G364 PolarHBondContact O-N 3.31Å; H350-G364 VanDerWaalsContact O-N 3.16Å; Q351-G364 WeakPolarHBondContact O-CA 3.27Å; Q351-G364 PolarHBondContact O-N 2.99Å; I362-G364 PolarHBondContact O-N 3.26Å; G364-T366 VanDerWaalsContact C-N 3.31Å; G364-T366 PolarHBondContact O-N 3.03Å
365T92.7Very high94.4Very high72 Ų7261.6 Ų61.644%0.44233%0.328SS..THydrogen-bonded Turntrans-66.3-28.3179.450.70000114.7H350 I363H350-T365 PolarHBondContact O-N 2.65Å; H350-T365 VanDerWaalsContact O-N 3.16Å; I363-T365 VanDerWaalsContact C-N 3.28Å; I363-T365 PolarHBondContact O-N 2.7Å
366T93.2Very high93.9Very high68 Ų6864.4 Ų64.442%0.41736%0.356SS..THydrogen-bonded Turntrans-119.5-17.6-175.559.90000113.4D324 I363 G364 T368D324-T366 HydrophobicContact CB-CG2 4.47Å; D324-T366 WeakPolarHBondContact OD2-CB 3.31Å; D324-T366 WeakPolarHBondContact OD2-CG2 3.47Å; D324-T366 PolarHBondContact OD2-OG1 2.88Å; I363-T366 PolarHBondContact O-N 3.37Å; G364-T366 VanDerWaalsContact C-N 3.31Å; G364-T366 PolarHBondContact O-N 3.03Å; T366-T368 PolarHBondContact OG1-N 2.94Å
367G92.9Very high93.5Very high49 Ų4961.6 Ų61.651%0.50534%0.34SS..  trans78.23.4-172.700000113.9I363I363-G367 WeakPolarHBondContact O-CA 3.29Å; I363-G367 PolarHBondContact O-N 3.44Å
368T95.3Very high93.2Very high33 Ų3352.4 Ų52.420%0.20230%0.301CS..  trans-69136.2-179.9-71.30000111.1E322 D324 I363 T366E322-T368 HydrophobicContact CB-CG2 3.89Å; E322-T368 HydrophobicContact CG-CG2 4.14Å; D324-T368 WeakPolarHBondContact OD2-CB 3.42Å; D324-T368 PolarHBondContact OD2-OG1 2.72Å; I363-T368 PolarHBondContact N-O 3.45Å; T366-T368 PolarHBondContact OG1-N 2.94Å
369E96.8Very high92.6Very high98 Ų9847.7 Ų47.746%0.45828%0.283SS..EExtended strand (participates in β ladder)trans-111.5130.8179-53-173.6160.100109.2L360 I362L360-E369 HydrophobicContact CD1-CB 4.35Å; I362-E369 HydrophobicContact CG1-CG 4.16Å; I362-E369 HydrophobicContact CG2-CG 4.35Å
370T96.5Very high91.7Very high3 Ų350.1 Ų50.12%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-120.9140.1169.5177.10000109.3I258 I321 L360 L361I258-T370 HydrophobicContact CB-CG2 4.13Å; I258-T370 HydrophobicContact CD1-CG2 4.3Å; I258-T370 HydrophobicContact CG2-CG2 3.83Å; I321-T370 HydrophobicContact CG2-CG2 3.7Å; L360-T370 CarbonylContact C-O 3.51Å; L360-T370 WeakPolarHBondContact CA-O 3.08Å; L361-T370 HydrophobicContact CB-CG2 3.82Å; L361-T370 HydrophobicContact CD2-CG2 4.37Å; L361-T370 PolarHBondContact N-O 3.2Å; L361-T370 PolarHBondContact O-N 2.95Å
371R96.6Very high90.4Very high119 Ų11950.8 Ų50.845%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-74.6148.5176.169.6178.9-178.593.3-3.1111.8L360 E377L360-R371 HydrophobicContact CD2-CB 3.77Å; R371-E377 IonicContact CZ-OE1 3.26Å; R371-E377 IonicContact CZ-OE2 2.74Å; R371-E377 IonicContact NH1-OE1 2.86Å; R371-E377 IonicContact NH1-OE2 2.88Å; R371-E377 PolarHBondContact NH1-OE2 2.94Å; R371-E377 IonicContact NH2-OE1 2.7Å; R371-E377 PolarHBondContact NH2-OE1 2.89Å; R371-E377 IonicContact NH2-OE2 2.92Å; R371-E377 PolarHBondContact NH2-OE2 3.1Å
372F96.8Very high89Confident5 Ų551.3 Ų51.32%0.02230%0.303CS..PPolyproline II helixtrans-70.3147.5163.3-65.5-60.3000110.4L256 Y257 I258 V271 I354 L356 N359 L360 L361L256-F372 HydrophobicContact CB-CD1 3.95Å; L256-F372 HydrophobicContact CB-CE1 3.92Å; L256-F372 HydrophobicContact CD1-CE1 4.46Å; L256-F372 HydrophobicContact CD1-CZ 4.28Å; L256-F372 HydrophobicContact CD2-CD1 4.21Å; L256-F372 HydrophobicContact CD2-CD2 3.96Å; L256-F372 HydrophobicContact CD2-CE1 4.39Å; L256-F372 HydrophobicContact CD2-CE2 4.16Å; L256-F372 HydrophobicContact CD2-CG 4.02Å; L256-F372 HydrophobicContact CD2-CZ 4.38Å; L256-F372 HydrophobicContact CG-CE1 4.49Å; Y257-F372 CarbonylContact O-C 3.6Å; Y257-F372 VanDerWaalsContact O-CA 3.24Å; Y257-F372 WeakPolarHBondContact O-CA 3.32Å; I258-F372 HydrophobicContact CG2-CD1 3.7Å; I258-F372 HydrophobicContact CG2-CE1 3.84Å; V271-F372 HydrophobicContact CB-CE1 4.38Å; V271-F372 HydrophobicContact CG2-CE1 4.14Å; I354-F372 HydrophobicContact CG2-CE2 4.19Å; I354-F372 HydrophobicContact CG2-CZ 3.91Å; L356-F372 HydrophobicContact CD2-CE2 4.48Å; N359-F372 WeakPolarHBondContact O-CD2 3.44Å; N359-F372 PolarHBondContact O-N 3.45Å; N359-F372 WeakPolarHBondContact OD1-CD2 3.43Å; L360-F372 VanDerWaalsContact O-CE2 3.31Å; L360-F372 WeakPolarHBondContact O-CE2 3.15Å; L361-F372 HydrophobicContact CB-CE1 3.91Å; L361-F372 HydrophobicContact CB-CZ 3.83Å; L361-F372 HydrophobicContact CD1-CZ 4.41Å
373L93.4Very high87.6Confident5 Ų554.8 Ų54.83%0.02631%0.314CS..PPolyproline II helixtrans-70.9145.5178.7-60.2-171.7000111Y257 N259 K268 E377 L378Y257-L373 WeakPolarHBondContact O-CG 3.45Å; Y257-L373 PolarHBondContact O-N 2.92Å; N259-L373 WeakPolarHBondContact ND2-CD2 3.3Å; K268-L373 HydrophobicContact CB-CD1 4.43Å; K268-L373 HydrophobicContact CD-CD1 3.9Å; K268-L373 HydrophobicContact CG-CD1 3.97Å; L373-E377 HydrophobicContact CB-CB 4.08Å; L373-E377 HydrophobicContact CD1-CB 4.47Å; L373-L378 HydrophobicContact CB-CD2 4.21Å
374S89.8Confident85.5Confident58 Ų5859.1 Ų59.141%0.40634%0.337SS..PPolyproline II helixtrans-76.516316961.50000110.9A376 E377 L378S374-A376 VanDerWaalsContact C-N 3.27Å; S374-A376 PolarHBondContact O-N 3.02Å; S374-E377 PolarHBondContact N-OE2 2.74Å; S374-E377 WeakPolarHBondContact O-CA 3.29Å; S374-E377 WeakPolarHBondContact O-CB 3.38Å; S374-E377 PolarHBondContact O-N 3.25Å; S374-E377 WeakPolarHBondContact OG-CG 3.2Å; S374-E377 PolarHBondContact OG-OE2 3.32Å; S374-L378 PolarHBondContact O-N 3.48Å
375E85.1Confident83.6Confident118 Ų11860.6 Ų60.655%0.55135%0.345SS*.G310 helixtrans-53-42.4179.8-170.1-173.9162.100113.1V254 E377 L378V254-E375 HydrophobicContact CG1-CB 4.4Å; V254-E375 HydrophobicContact CG2-CB 4.05Å; V254-E375 HydrophobicContact CG2-CG 4.43Å; E375-E377 PolarHBondContact O-N 3.16Å; E375-L378 WeakPolarHBondContact O-CB 3.37Å; E375-L378 PolarHBondContact O-N 3.12Å; E375-L378 VanDerWaalsContact O-N 3.11Å
376A85.3Confident81.6Confident93 Ų9363.3 Ų63.377%0.76935%0.348SS*.G310 helixtrans-63.9-22.6178.500000113.4S374S374-A376 VanDerWaalsContact C-N 3.27Å; S374-A376 PolarHBondContact O-N 3.02Å
377E86.4Confident79.1Confident59 Ų5960.5 Ų60.528%0.27633%0.333SS..G310 helixtrans-94.7-0.6-179.4-64.2170.8132.800112.2K268 R371 L373 S374 E375K268-E377 VanDerWaalsContact CE-O 3.24Å; K268-E377 WeakPolarHBondContact CE-O 3.29Å; K268-E377 PolarHBondContact NZ-O 2.88Å; R371-E377 IonicContact CZ-OE1 3.26Å; R371-E377 IonicContact CZ-OE2 2.74Å; R371-E377 IonicContact NH1-OE1 2.86Å; R371-E377 IonicContact NH1-OE2 2.88Å; R371-E377 PolarHBondContact NH1-OE2 2.94Å; R371-E377 IonicContact NH2-OE1 2.7Å; R371-E377 PolarHBondContact NH2-OE1 2.89Å; R371-E377 IonicContact NH2-OE2 2.92Å; R371-E377 PolarHBondContact NH2-OE2 3.1Å; L373-E377 HydrophobicContact CB-CB 4.08Å; L373-E377 HydrophobicContact CD1-CB 4.47Å; S374-E377 PolarHBondContact N-OE2 2.74Å; S374-E377 WeakPolarHBondContact O-CA 3.29Å; S374-E377 WeakPolarHBondContact O-CB 3.38Å; S374-E377 PolarHBondContact O-N 3.25Å; S374-E377 WeakPolarHBondContact OG-CG 3.2Å; S374-E377 PolarHBondContact OG-OE2 3.32Å; E375-E377 PolarHBondContact O-N 3.16Å
378L86.4Confident76.7Confident11 Ų1162.3 Ų62.36%0.05834%0.335CS..SBendtrans-74.1151.2180-69-174.4000112.9V254 Y257 L373 S374 E375 A382 R383V254-L378 HydrophobicContact CG1-CD1 3.71Å; V254-L378 HydrophobicContact CG1-CG 4.41Å; Y257-L378 HydrophobicContact CD2-CD2 3.32Å; Y257-L378 HydrophobicContact CE2-CD2 4.03Å; Y257-L378 HydrophobicContact CG-CD2 3.64Å; L373-L378 HydrophobicContact CB-CD2 4.21Å; S374-L378 PolarHBondContact O-N 3.48Å; E375-L378 WeakPolarHBondContact O-CB 3.37Å; E375-L378 PolarHBondContact O-N 3.12Å; E375-L378 VanDerWaalsContact O-N 3.11Å; L378-A382 HydrophobicContact CB-CB 4.23Å; L378-A382 HydrophobicContact CD1-CB 4.33Å; L378-R383 HydrophobicContact CB-CG 3.87Å; L378-R383 PolarHBondContact O-NE 3.02Å
379P81.6Confident74.3Confident28 Ų2867.4 Ų67.418%0.18236%0.357CS..  trans-55.3150.3167.3-19.930.8000111.6Y257 K268 C381 A382 R383Y257-P379 HydrophobicContact CD1-CG 4.35Å; Y257-P379 HydrophobicContact CE1-CG 3.93Å; K268-P379 HydrophobicContact CB-CG 4.28Å; K268-P379 HydrophobicContact CD-CG 3.97Å; P379-C381 PolarHBondContact O-N 2.89Å; P379-A382 PolarHBondContact O-N 3.26Å; P379-R383 PolarHBondContact O-N 3.29Å
380E73.8Confident71.6Confident129 Ų12964.9 Ų64.960%0.60336%0.357SS*.Hα-helixtrans-58-38-178.3-43.7-153.1124.400112.4A382 R383 L384E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 3.36Å; E380-R383 VanDerWaalsContact CG-NH2 3.34Å; E380-R383 PolarHBondContact O-N 2.94Å; E380-R383 VanDerWaalsContact O-N 3.13Å; E380-R383 IonicContact OE1-NH2 3.91Å; E380-R383 PolarHBondContact OE1-NH2 3.08Å; E380-L384 HydrophobicContact CB-CD1 4.39Å; E380-L384 WeakPolarHBondContact O-CB 3.2Å; E380-L384 VanDerWaalsContact O-CG 3.3Å; E380-L384 WeakPolarHBondContact O-CG 3.43Å; E380-L384 PolarHBondContact O-N 2.66Å
381C68.9Low69.1Low45 Ų4574.2 Ų74.230%0.30439%0.392SS..Hα-helixtrans-61.1-33.9176.259.20000113.1P337 P379 A385P337-C381 HydrophobicContact CB-CB 4.2Å; P337-C381 PolarHBondContact O-SG 2.81Å; P379-C381 PolarHBondContact O-N 2.89Å; C381-A385 VanDerWaalsContact O-CB 3.24Å; C381-A385 WeakPolarHBondContact O-CB 3.38Å; C381-A385 PolarHBondContact O-N 3.47Å; C381-A385 VanDerWaalsContact O-N 3.13Å
382A69.1Low66.5Low11 Ų1176.3 Ų76.39%0.09141%0.407CS..Hα-helixtrans-80.9-27.7176.300000112.2Y257 L378 P379 E380Y257-A382 HydrophobicContact CE2-CB 3.94Å; L378-A382 HydrophobicContact CB-CB 4.23Å; L378-A382 HydrophobicContact CD1-CB 4.33Å; P379-A382 PolarHBondContact O-N 3.26Å; E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 3.36Å
383R68.1Low63.9Low106 Ų10683.3 Ų83.340%0.444%0.444SS..Hα-helixtrans-73-37.7171.9-66.6-170.1-69.9129.9-1.4112.3L378 P379 E380 G387L378-R383 HydrophobicContact CB-CG 3.87Å; L378-R383 PolarHBondContact O-NE 3.02Å; P379-R383 PolarHBondContact O-N 3.29Å; E380-R383 VanDerWaalsContact CG-NH2 3.34Å; E380-R383 PolarHBondContact O-N 2.94Å; E380-R383 VanDerWaalsContact O-N 3.13Å; E380-R383 IonicContact OE1-NH2 3.91Å; E380-R383 PolarHBondContact OE1-NH2 3.08Å; R383-G387 WeakPolarHBondContact O-CA 3.27Å; R383-G387 PolarHBondContact O-N 3.45Å
384L53.9Low61.5Low93 Ų9384.8 Ų84.849%0.48746%0.457SS..Hα-helixtrans-86.5-36.3-173.9-70.7167.9000113.7E380 Y386 G387E380-L384 HydrophobicContact CB-CD1 4.39Å; E380-L384 WeakPolarHBondContact O-CB 3.2Å; E380-L384 VanDerWaalsContact O-CG 3.3Å; E380-L384 WeakPolarHBondContact O-CG 3.43Å; E380-L384 PolarHBondContact O-N 2.66Å; L384-Y386 PolarHBondContact O-N 3.35Å; L384-Y386 VanDerWaalsContact O-N 3.09Å; L384-G387 PolarHBondContact O-N 2.9Å
385A53.5Low59.4Low70 Ų7089.9 Ų89.958%0.57947%0.467SS*.THydrogen-bonded Turntrans-61.2-20.5176.800000112.8C381C381-A385 VanDerWaalsContact O-CB 3.24Å; C381-A385 WeakPolarHBondContact O-CB 3.38Å; C381-A385 PolarHBondContact O-N 3.47Å; C381-A385 VanDerWaalsContact O-N 3.13Å
386Y49.6Very low57.7Low129 Ų12989.6 Ų89.651%0.50648%0.475SS..THydrogen-bonded Turntrans-139.227.6-177.5-56.3-80.2000112.2Q252 M255 L384Q252-Y386 PolarHBondContact NE2-O 3.27Å; Q252-Y386 PolarHBondContact OE1-O 2.67Å; M255-Y386 HydrophobicContact CE-CD2 4.47Å; M255-Y386 HydrophobicContact CE-CE1 4.22Å; M255-Y386 HydrophobicContact CE-CE2 3.86Å; M255-Y386 HydrophobicContact CG-CE2 4.47Å; L384-Y386 PolarHBondContact O-N 3.35Å; L384-Y386 VanDerWaalsContact O-N 3.09Å
387G41.3Very low56.1Low9 Ų992.2 Ų92.29%0.09347%0.472CS..SBendtrans-97159.3175.200000111.5R383 L384 E389 G390R383-G387 WeakPolarHBondContact O-CA 3.27Å; R383-G387 PolarHBondContact O-N 3.45Å; L384-G387 PolarHBondContact O-N 2.9Å; G387-E389 PolarHBondContact O-N 3.16Å; G387-G390 PolarHBondContact O-N 3.22Å
388P42.7Very low54.3Low86 Ų8693.6 Ų93.656%0.55848%0.478SS*.THydrogen-bonded Turntrans-59-34.2173.221.2-29.9000112.2G390 R391P388-G390 VanDerWaalsContact C-N 3.28Å; P388-G390 PolarHBondContact O-N 3.38Å; P388-R391 PolarHBondContact O-N 2.86Å
389E43.7Very low52.8Low141 Ų14196.1 Ų96.166%0.65949%0.491SS*.Hα-helixtrans-67.4-23.1178.3-62.4-176.5161.300113.5G387 R391G387-E389 PolarHBondContact O-N 3.16Å; E389-R391 VanDerWaalsContact C-N 3.29Å; E389-R391 PolarHBondContact O-N 3.07Å
390G40.8Very low51.5Low44 Ų4497.4 Ų97.445%0.45450%0.504SS..Hα-helixtrans-77.5-12.7175.800000114G387 P388G387-G390 PolarHBondContact O-N 3.22Å; P388-G390 VanDerWaalsContact C-N 3.28Å; P388-G390 PolarHBondContact O-N 3.38Å
391R44.2Very low51.1Low200 Ų20096.5 Ų96.576%0.75550%0.503SS*.Hα-helixtrans-96.8-17.3176.2-80.7-175.6175171.2-0.7113.6P388 E389P388-R391 PolarHBondContact O-N 2.86Å; E389-R391 VanDerWaalsContact C-N 3.29Å; E389-R391 PolarHBondContact O-N 3.07Å
392E41.8Very low51Low163 Ų163102 Ų10276%0.76252%0.518SS*.Hα-helixtrans-80.2-23.6-173.9-73.5-173.5147.800113.6
393D42.5Very low50.9Low152 Ų152107.6 Ų107.681%0.81354%0.542SS*.SBendtrans-106.6-0.6-173.6-83.3-21.7000116
394A42.7Very low51Low35 Ų35107.5 Ų107.529%0.28955%0.549SS..  trans-131.297.8178.400000110.3I399A394-I399 HydrophobicContact CB-CD1 3.63Å; A394-I399 HydrophobicContact CB-CG1 3.77Å
395R45.8Very low51.8Low166 Ų166105.4 Ų105.463%0.62655%0.545SS*.  trans-55.3131.6168.9-72.6-178.8-86.5-165.3-4107.5E397 E398 I399R395-E397 PolarHBondContact O-N 3.16Å; R395-E398 HydrophobicContact CB-CB 4.44Å; R395-E398 HydrophobicContact CB-CG 4.14Å; R395-E398 IonicContact CZ-OE1 3.64Å; R395-E398 IonicContact NE-OE1 3.2Å; R395-E398 PolarHBondContact NE-OE1 3.29Å; R395-E398 IonicContact NE-OE2 2.9Å; R395-E398 IonicContact NH2-OE1 4Å; R395-E398 PolarHBondContact NH2-OE1 3.13Å; R395-E398 WeakPolarHBondContact O-CB 3.47Å; R395-E398 PolarHBondContact O-N 3.17Å; R395-I399 PolarHBondContact O-N 3.16Å
396P49.1Very low52.7Low111 Ų111106 Ų10672%0.72154%0.536SS*.Hα-helixtrans-51.8-30.1179.1-28.534.1000113.4A400P396-A400 WeakPolarHBondContact O-CB 3.49Å; P396-A400 PolarHBondContact O-N 3.43Å; P396-A400 VanDerWaalsContact O-N 3.14Å
397E51.4Low53.7Low149 Ų149102.3 Ų102.370%0.69653%0.532SS*.Hα-helixtrans-64.7-40.2173.2-64.4-177.9165.100113.1R395 A400 D401R395-E397 PolarHBondContact O-N 3.16Å; E397-A400 PolarHBondContact O-N 3.25Å; E397-D401 WeakPolarHBondContact O-CB 3.39Å; E397-D401 PolarHBondContact O-N 2.86Å
398E49.8Very low55.2Low88 Ų88106.7 Ų106.741%0.41155%0.553SS.*Hα-helixtrans-72.4-31.8-179.8-70.8169.3166.700112.2R395 R402R395-E398 HydrophobicContact CB-CB 4.44Å; R395-E398 HydrophobicContact CB-CG 4.14Å; R395-E398 IonicContact CZ-OE1 3.64Å; R395-E398 IonicContact NE-OE1 3.2Å; R395-E398 PolarHBondContact NE-OE1 3.29Å; R395-E398 IonicContact NE-OE2 2.9Å; R395-E398 IonicContact NH2-OE1 4Å; R395-E398 PolarHBondContact NH2-OE1 3.13Å; R395-E398 WeakPolarHBondContact O-CB 3.47Å; R395-E398 PolarHBondContact O-N 3.17Å; E398-R402 VanDerWaalsContact O-CB 3.29Å; E398-R402 WeakPolarHBondContact O-CB 3.18Å; E398-R402 PolarHBondContact O-N 3.27Å
399I53.7Low56.7Low64 Ų64109 Ų10933%0.32856%0.556SS.*Hα-helixtrans-69.2-46.9173.7-60.1168000109.9A394 R395 R402 E403A394-I399 HydrophobicContact CB-CD1 3.63Å; A394-I399 HydrophobicContact CB-CG1 3.77Å; R395-I399 PolarHBondContact O-N 3.16Å; I399-R402 PolarHBondContact O-N 3.26Å; I399-E403 WeakPolarHBondContact O-CG 3.41Å; I399-E403 PolarHBondContact O-N 2.82Å
400A55.7Low58.1Low54 Ų54109.1 Ų109.145%0.44655%0.551SS.*Hα-helixtrans-63.5-41.5178.700000112P396 E397 E403 L404P396-A400 WeakPolarHBondContact O-CB 3.49Å; P396-A400 PolarHBondContact O-N 3.43Å; P396-A400 VanDerWaalsContact O-N 3.14Å; E397-A400 PolarHBondContact O-N 3.25Å; A400-E403 PolarHBondContact O-N 3.04Å; A400-L404 VanDerWaalsContact O-CB 3.29Å; A400-L404 WeakPolarHBondContact O-CB 3.49Å; A400-L404 PolarHBondContact O-N 3.47Å
401D64.9Low59.4Low110 Ų110110.1 Ų110.159%0.58855%0.55SS**Hα-helixtrans-66-37.5176-82.9-8.8000112E397 A405E397-D401 WeakPolarHBondContact O-CB 3.39Å; E397-D401 PolarHBondContact O-N 2.86Å; D401-A405 VanDerWaalsContact O-CB 3.24Å; D401-A405 WeakPolarHBondContact O-CB 3.25Å; D401-A405 PolarHBondContact O-N 2.83Å
402R67.5Low60.8Low161 Ų161106.2 Ų106.261%0.60854%0.543SS*.Hα-helixtrans-67.9-43.9176.1-168.1177.776.8-163.91.4111.8E398 I399 L404 A405 E406E398-R402 VanDerWaalsContact O-CB 3.29Å; E398-R402 WeakPolarHBondContact O-CB 3.18Å; E398-R402 PolarHBondContact O-N 3.27Å; I399-R402 PolarHBondContact O-N 3.26Å; R402-L404 VanDerWaalsContact C-N 3.34Å; R402-A405 PolarHBondContact O-N 3.35Å; R402-E406 PolarHBondContact O-N 3.05Å
403E67.1Low62.1Low129 Ų129105.5 Ų105.560%0.60354%0.54SS*.Hα-helixtrans-64.6-39.5176.8-73.5-175.6166.300111.8I399 A400 E406 A407I399-E403 WeakPolarHBondContact O-CG 3.41Å; I399-E403 PolarHBondContact O-N 2.82Å; A400-E403 PolarHBondContact O-N 3.04Å; E403-E406 PolarHBondContact O-N 2.86Å; E403-A407 WeakPolarHBondContact O-CB 3.32Å; E403-A407 PolarHBondContact O-N 2.79Å
404L69Low63Low103 Ų103105.2 Ų105.254%0.53953%0.534SS..Hα-helixtrans-66.2-42.1175.1-172.766.4000111.7A400 R402 A407 L408A400-L404 VanDerWaalsContact O-CB 3.29Å; A400-L404 WeakPolarHBondContact O-CB 3.49Å; A400-L404 PolarHBondContact O-N 3.47Å; R402-L404 VanDerWaalsContact C-N 3.34Å; L404-A407 PolarHBondContact O-N 3.41Å; L404-L408 HydrophobicContact CG-CD1 4.19Å; L404-L408 WeakPolarHBondContact O-CB 3.44Å; L404-L408 VanDerWaalsContact O-CG 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.39Å; L404-L408 PolarHBondContact O-N 3.02Å
405A70.6Confident63.9Low50 Ų50108.1 Ų108.141%0.41355%0.552SS.*Hα-helixtrans-64.2-41.8177.100000112.1D401 R402 L408 Q409D401-A405 VanDerWaalsContact O-CB 3.24Å; D401-A405 WeakPolarHBondContact O-CB 3.25Å; D401-A405 PolarHBondContact O-N 2.83Å; R402-A405 PolarHBondContact O-N 3.35Å; A405-L408 PolarHBondContact O-N 2.85Å; A405-Q409 PolarHBondContact O-N 3.26Å
406E72.6Confident64.1Low82 Ų82103.2 Ų103.238%0.38355%0.553SS.*Hα-helixtrans-66.5-39.3175.3-79-172-162.600112.5R402 E403 Q409 R410R402-E406 PolarHBondContact O-N 3.05Å; E403-E406 PolarHBondContact O-N 2.86Å; E406-Q409 PolarHBondContact O-N 3.35Å; E406-R410 WeakPolarHBondContact O-CG 3.37Å; E406-R410 PolarHBondContact O-N 2.88Å; E406-R410 IonicContact OE2-NH2 3.52Å; E406-R410 PolarHBondContact OE2-NH2 2.86Å
407A70.2Confident64.2Low52 Ų52106.1 Ų106.143%0.4356%0.557SS.*Hα-helixtrans-63.3-42.6175.300000111.3E403 L404 R410 S411E403-A407 WeakPolarHBondContact O-CB 3.32Å; E403-A407 PolarHBondContact O-N 2.79Å; L404-A407 PolarHBondContact O-N 3.41Å; A407-R410 PolarHBondContact O-N 3.46Å; A407-S411 PolarHBondContact O-N 3.31Å; A407-S411 PolarHBondContact O-OG 3.3Å
408L73.4Confident63.8Low100 Ų100110.8 Ų110.852%0.52458%0.578SS.*Hα-helixtrans-64.4-42.3175.9-74.3165.1000112L404 A405 R410 S411 I412L404-L408 HydrophobicContact CG-CD1 4.19Å; L404-L408 WeakPolarHBondContact O-CB 3.44Å; L404-L408 VanDerWaalsContact O-CG 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.39Å; L404-L408 PolarHBondContact O-N 3.02Å; A405-L408 PolarHBondContact O-N 2.85Å; L408-R410 PolarHBondContact O-N 3.08Å; L408-S411 PolarHBondContact O-N 3.12Å; L408-I412 WeakPolarHBondContact O-CD1 3.34Å; L408-I412 VanDerWaalsContact O-CG1 3.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.12Å; L408-I412 PolarHBondContact O-N 3.37Å
409Q73.4Confident64.5Low134 Ų134111.9 Ų111.963%0.62659%0.586SS**Hα-helixtrans-63.7-40.5177.3-99.5179.6-16.100112.8A405 E406 I412 Q413A405-Q409 PolarHBondContact O-N 3.26Å; E406-Q409 PolarHBondContact O-N 3.35Å; Q409-I412 PolarHBondContact O-N 3.03Å; Q409-Q413 PolarHBondContact O-N 3.44Å
410R73.8Confident65.1Low145 Ų145114.4 Ų114.455%0.54760%0.6SS.*Hα-helixtrans-66.2-42.3176-72-179.5-133.3-161.23111.7E406 A407 L408 I412 Q413 E414E406-R410 WeakPolarHBondContact O-CG 3.37Å; E406-R410 PolarHBondContact O-N 2.88Å; E406-R410 IonicContact OE2-NH2 3.52Å; E406-R410 PolarHBondContact OE2-NH2 2.86Å; A407-R410 PolarHBondContact O-N 3.46Å; L408-R410 PolarHBondContact O-N 3.08Å; R410-I412 VanDerWaalsContact C-N 3.28Å; R410-I412 PolarHBondContact O-N 3.07Å; R410-Q413 PolarHBondContact O-N 2.73Å; R410-E414 PolarHBondContact O-N 3.1Å
411S67.8Low65.6Low64 Ų64117.8 Ų117.845%0.44861%0.609SS.*Hα-helixtrans-62.2-34.6174-740000112.8A407 L408 S415A407-S411 PolarHBondContact O-N 3.31Å; A407-S411 PolarHBondContact O-OG 3.3Å; L408-S411 PolarHBondContact O-N 3.12Å; S411-S415 VanDerWaalsContact O-CB 3.27Å; S411-S415 WeakPolarHBondContact O-CB 3.26Å; S411-S415 PolarHBondContact O-N 3.32Å; S411-S415 PolarHBondContact O-OG 3.23Å
412I73.4Confident65.7Low118 Ų118118.2 Ų118.261%0.60561%0.61SS**Hα-helixtrans-69.4-38.7175.9-68.3163.1000111.5L408 Q409 R410 S415 G416L408-I412 WeakPolarHBondContact O-CD1 3.34Å; L408-I412 VanDerWaalsContact O-CG1 3.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.12Å; L408-I412 PolarHBondContact O-N 3.37Å; Q409-I412 PolarHBondContact O-N 3.03Å; R410-I412 VanDerWaalsContact C-N 3.28Å; R410-I412 PolarHBondContact O-N 3.07Å; I412-S415 PolarHBondContact O-N 3Å; I412-G416 PolarHBondContact O-N 2.86Å
413Q69.4Low65.6Low148 Ų148115.6 Ų115.669%0.69261%0.61SS**Hα-helixtrans-66.9-43.1174.8-83.5179.2-11.800112.2Q409 R410 S415 G416Q409-Q413 PolarHBondContact O-N 3.44Å; R410-Q413 PolarHBondContact O-N 2.73Å; Q413-S415 VanDerWaalsContact C-N 3.3Å; Q413-S415 PolarHBondContact O-N 2.95Å; Q413-G416 PolarHBondContact O-N 3.24Å
414E62.1Low65.4Low146 Ų146114.7 Ų114.768%0.68261%0.61SS**Hα-helixtrans-69.2-27.5177.8-73-179.6163.800112.8R410 G416R410-E414 PolarHBondContact O-N 3.1Å; E414-G416 VanDerWaalsContact C-N 3.32Å
415S60.3Low65.2Low96 Ų96115.5 Ų115.567%0.67162%0.616SS**THydrogen-bonded Turntrans-81.6-9.7176.9-54.90000113.7S411 I412 Q413S411-S415 VanDerWaalsContact O-CB 3.27Å; S411-S415 WeakPolarHBondContact O-CB 3.26Å; S411-S415 PolarHBondContact O-N 3.32Å; S411-S415 PolarHBondContact O-OG 3.23Å; I412-S415 PolarHBondContact O-N 3Å; Q413-S415 VanDerWaalsContact C-N 3.3Å; Q413-S415 PolarHBondContact O-N 2.95Å
416G50.3Low64.8Low63 Ų63120.5 Ų120.565%0.64963%0.631SS**THydrogen-bonded Turntrans-96-6.1-17900000115.1I412 Q413 E414I412-G416 PolarHBondContact O-N 2.86Å; Q413-G416 PolarHBondContact O-N 3.24Å; E414-G416 VanDerWaalsContact C-N 3.32Å
417E51.1Low64.1Low172 Ų172123.8 Ų123.880%0.80465%0.652SS**  trans-102.323-178.6-68.9-165.1144.800114.1
418H44.3Very low63.6Low247 Ų247130.3 Ų130.3100%1.14467%0.672SS**  trans-1200173-81.3-31.9000114.4

Retrieved 418 of 418 residues in 67.1 ms (Link to these results)

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