G4LXT2_SCHMA Loading...

40S ribosomal protein S6

AlphaFold DB , UniProt , Accession G4LXT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M91.6Very high94.9Very high32 Ų3242.1 Ų42.116%0.15827%0.269CS..  0140.60-177.7-177.4-67.400108.4V18 L24 Y28 D103 L106 L109M1-V18 PolarHBondContact N-O 2.9Å; M1-V18 PolarHBondContact O-N 3.3Å; M1-V18 VanDerWaalsContact O-O 3.11Å; M1-L24 HydrophobicContact CB-CD1 3.64Å; M1-L24 HydrophobicContact CB-CD2 4.26Å; M1-L24 HydrophobicContact SD-CD2 4.35Å; M1-Y28 HydrophobicContact CE-CE1 4.09Å; M1-D103 WeakPolarHBondContact CE-O 3.48Å; M1-L106 HydrophobicContact CE-CB 3.85Å; M1-L106 HydrophobicContact SD-CB 4.17Å; M1-L109 HydrophobicContact SD-CB 4.31Å
2K95.9Very high94.9Very high81 Ų8139.2 Ų39.235%0.35225%0.25SS..EExtended strand (participates in β ladder)trans-90.8136.2179.8-63.8-177.2178.7-173.80111.2I16 E17 S107 V108 L109K2-I16 CarbonylContact C-O 3.54Å; K2-I16 WeakPolarHBondContact CA-O 3.2Å; K2-E17 VanDerWaalsContact CE-CD 3.48Å; K2-E17 WeakPolarHBondContact CE-OE1 3.41Å; K2-E17 WeakPolarHBondContact CE-OE2 3.47Å; K2-E17 HydrophobicContact CG-CG 4.42Å; K2-E17 IonicContact NZ-OE1 3.06Å; K2-E17 IonicContact NZ-OE2 2.67Å; K2-S107 PolarHBondContact N-O 2.58Å; K2-V108 HydrophobicContact CB-CG1 4.48Å; K2-V108 HydrophobicContact CB-CG2 4.19Å; K2-V108 CarbonylContact O-C 3.6Å; K2-V108 VanDerWaalsContact O-CA 3.26Å; K2-V108 WeakPolarHBondContact O-CA 3.4Å; K2-L109 PolarHBondContact O-N 3.34Å
3L95.7Very high94.9Very high0 Ų047.5 Ų47.50%028%0.284CS..EExtended strand (participates in β ladder)trans-109.4115.1174.3-58.6-176.4000108.8I5 C15 I16 V18 L24 F27 L41 L109 L111L3-I5 HydrophobicContact CB-CD1 4.34Å; L3-I5 HydrophobicContact CB-CG1 4.23Å; L3-C15 WeakPolarHBondContact O-CA 3.39Å; L3-I16 PolarHBondContact N-O 2.97Å; L3-I16 PolarHBondContact O-N 3.17Å; L3-V18 HydrophobicContact CD1-CG2 3.76Å; L3-V18 HydrophobicContact CG-CG2 4.17Å; L3-L24 HydrophobicContact CD2-CD2 4.32Å; L3-F27 HydrophobicContact CD1-CE2 4.23Å; L3-L41 HydrophobicContact CD1-CD2 3.52Å; L3-L109 WeakPolarHBondContact CA-O 3.47Å; L3-L109 HydrophobicContact CD2-CB 3.75Å; L3-L109 HydrophobicContact CD2-CD2 4.07Å; L3-L109 HydrophobicContact CD2-CG 4.44Å; L3-L111 HydrophobicContact CB-CD1 4.36Å; L3-L111 HydrophobicContact CD1-CD1 4.26Å; L3-L111 HydrophobicContact CD2-CD1 4.19Å
4N96.8Very high94.9Very high48 Ų4848.4 Ų48.426%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-98.2102.3175-179.528.1000108.9V108 L109 N110 L111N4-V108 HydrophobicContact CB-CG1 3.87Å; N4-L109 PolarHBondContact N-O 3.1Å; N4-N110 WeakPolarHBondContact CB-OD1 3.47Å; N4-N110 PolarHBondContact ND2-OD1 3.01Å; N4-N110 CarbonylContact O-C 3.59Å; N4-N110 WeakPolarHBondContact O-CA 3.27Å; N4-L111 PolarHBondContact O-N 2.85Å
5I96.3Very high94.9Very high0 Ų050.7 Ų50.70%030%0.3CS..EExtended strand (participates in β ladder)trans-104.3126.2-170.6-55.8167.5000108.5L3 Q13 K14 I16 W45 M50 L111 V113 L124L3-I5 HydrophobicContact CB-CD1 4.34Å; L3-I5 HydrophobicContact CB-CG1 4.23Å; I5-Q13 CarbonylContact O-C 3.59Å; I5-Q13 VanDerWaalsContact O-CA 3.27Å; I5-Q13 WeakPolarHBondContact O-CA 3.1Å; I5-K14 PolarHBondContact N-O 3.43Å; I5-K14 PolarHBondContact O-N 2.89Å; I5-I16 HydrophobicContact CD1-CD1 3.84Å; I5-I16 HydrophobicContact CD1-CG1 4.4Å; I5-W45 HydrophobicContact CD1-CH2 3.49Å; I5-W45 VanDerWaalsContact CD1-CH2 3.49Å; I5-W45 HydrophobicContact CD1-CZ2 3.82Å; I5-W45 HydrophobicContact CD1-CZ3 4.21Å; I5-W45 HydrophobicContact CG2-CH2 4.18Å; I5-W45 HydrophobicContact CG2-CZ3 4.32Å; I5-M50 HydrophobicContact CD1-CE 4.03Å; I5-M50 HydrophobicContact CG1-CE 4.4Å; I5-M50 HydrophobicContact CG1-SD 4.37Å; I5-M50 HydrophobicContact CG2-CE 3.76Å; I5-M50 HydrophobicContact CG2-SD 3.99Å; I5-L111 WeakPolarHBondContact CA-O 3.43Å; I5-L111 HydrophobicContact CG1-CB 4.24Å; I5-L111 HydrophobicContact CG1-CD1 4.23Å; I5-V113 HydrophobicContact CG2-CG2 3.92Å; I5-L124 HydrophobicContact CB-CD2 4.48Å; I5-L124 HydrophobicContact CG2-CD2 3.65Å
6A96.5Very high94.8Very high30 Ų3049.9 Ų49.925%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-115.4142.4175.600000111.4L111 V112 V113A6-L111 PolarHBondContact N-O 3.08Å; A6-V112 HydrophobicContact CB-CG2 4.36Å; A6-V112 WeakPolarHBondContact O-CA 3.25Å; A6-V113 PolarHBondContact O-N 3.01Å
7F96Very high94.8Very high15 Ų1554 Ų547%0.06631%0.31CS..EExtended strand (participates in β ladder)trans-115.498171.2-175.4-140.7000110.5S9 N10 G11 T12 V113 L124 T125F7-S9 PolarHBondContact O-N 3.07Å; F7-N10 HydrophobicContact CD1-CB 3.66Å; F7-N10 HydrophobicContact CE1-CB 4.06Å; F7-N10 VanDerWaalsContact CE1-CG 3.47Å; F7-N10 WeakPolarHBondContact CE1-OD1 3.38Å; F7-N10 PolarHBondContact O-N 2.91Å; F7-G11 PolarHBondContact O-N 2.94Å; F7-T12 PolarHBondContact N-O 3.02Å; F7-V113 HydrophobicContact CD2-CB 3.83Å; F7-V113 HydrophobicContact CD2-CG1 3.84Å; F7-V113 HydrophobicContact CE2-CG1 4.07Å; F7-L124 HydrophobicContact CB-CD1 4Å; F7-L124 HydrophobicContact CB-CG 4.04Å; F7-T125 HydrophobicContact CD1-CG2 4.03Å; F7-T125 HydrophobicContact CE1-CG2 4.16Å
8P95.1Very high94.6Very high78 Ų7851.6 Ų51.651%0.50630%0.296SS..THydrogen-bonded Turntrans-62.8-25.8-172.3-25.434.8000115.1V112P8-V112 HydrophobicContact CG-CG1 3.58Å
9S93Very high94.4Very high98 Ų9855.6 Ų55.669%0.68532%0.317SS*.THydrogen-bonded Turntrans-65.5-42.3-179.8-55.60000111.6F7F7-S9 PolarHBondContact O-N 3.07Å
10N93.7Very high94.1Very high30 Ų3058.3 Ų58.316%0.1633%0.326CS..THydrogen-bonded Turntrans-96.1-14.7179.4-72.212.3000113.3F7 T12 T125 V127 I129F7-N10 HydrophobicContact CD1-CB 3.66Å; F7-N10 HydrophobicContact CE1-CB 4.06Å; F7-N10 VanDerWaalsContact CE1-CG 3.47Å; F7-N10 WeakPolarHBondContact CE1-OD1 3.38Å; F7-N10 PolarHBondContact O-N 2.91Å; N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 HydrophobicContact CB-CG2 4.25Å; N10-T12 PolarHBondContact O-N 2.89Å; N10-T125 PolarHBondContact ND2-O 2.93Å; N10-V127 WeakPolarHBondContact CB-O 3.39Å; N10-V127 PolarHBondContact ND2-O 2.84Å; N10-I129 PolarHBondContact O-N 3.39Å
11G92.7Very high93.8Very high51 Ų5160.2 Ų60.253%0.52633%0.333SS..THydrogen-bonded Turntrans73.719.4-178.200000114.1F7F7-G11 PolarHBondContact O-N 2.94Å
12T95.2Very high93.8Very high7 Ų765.2 Ų65.24%0.04336%0.359CS..EExtended strand (participates in β ladder)trans-95.5158.7179.746.90000111.7F7 N10 L124 V127 I129F7-T12 PolarHBondContact N-O 3.02Å; N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 HydrophobicContact CB-CG2 4.25Å; N10-T12 PolarHBondContact O-N 2.89Å; T12-L124 WeakPolarHBondContact CB-O 3.47Å; T12-L124 PolarHBondContact OG1-O 3.32Å; T12-V127 HydrophobicContact CG2-CB 4.28Å; T12-V127 WeakPolarHBondContact CG2-O 3.22Å; T12-I129 HydrophobicContact CG2-CD1 3.92Å; T12-I129 HydrophobicContact CG2-CG1 3.96Å
13Q95.2Very high93.6Very high147 Ų14764.1 Ų64.169%0.68736%0.355SS*.EExtended strand (participates in β ladder)trans-143145.6174.167-179.222.200109.7I5I5-Q13 CarbonylContact O-C 3.59Å; I5-Q13 VanDerWaalsContact O-CA 3.27Å; I5-Q13 WeakPolarHBondContact O-CA 3.1Å
14K94.4Very high93.4Very high61 Ų6164.5 Ų64.527%0.26536%0.357SS..EExtended strand (participates in β ladder)trans-137.9132175.6-169.1173.9-177.6177.70109I5 I16 I121 P122 L124I5-K14 PolarHBondContact N-O 3.43Å; I5-K14 PolarHBondContact O-N 2.89Å; K14-I16 HydrophobicContact CD-CD1 4.38Å; K14-I16 HydrophobicContact CD-CG1 4.4Å; K14-I16 HydrophobicContact CG-CG1 4.17Å; K14-I121 HydrophobicContact CD-CG2 4.48Å; K14-P122 PolarHBondContact NZ-O 2.91Å; K14-L124 HydrophobicContact CB-CB 4.45Å; K14-L124 HydrophobicContact CB-CD1 4.19Å
15C95Very high93.2Very high82 Ų8269.2 Ų69.255%0.55437%0.371SS*.EExtended strand (participates in β ladder)trans-99.2126.5172-172.90000108.4L3L3-C15 WeakPolarHBondContact O-CA 3.39Å
16I93.9Very high93.1Very high39 Ų3971.5 Ų71.520%0.239%0.385CS..EExtended strand (participates in β ladder)trans-119.8137178.6-55.7179.9000107.8K2 L3 I5 K14 V18 W45K2-I16 CarbonylContact C-O 3.54Å; K2-I16 WeakPolarHBondContact CA-O 3.2Å; L3-I16 PolarHBondContact N-O 2.97Å; L3-I16 PolarHBondContact O-N 3.17Å; I5-I16 HydrophobicContact CD1-CD1 3.84Å; I5-I16 HydrophobicContact CD1-CG1 4.4Å; K14-I16 HydrophobicContact CD-CD1 4.38Å; K14-I16 HydrophobicContact CD-CG1 4.4Å; K14-I16 HydrophobicContact CG-CG1 4.17Å; I16-V18 HydrophobicContact CG2-CG2 4.02Å; I16-W45 HydrophobicContact CD1-CH2 4.25Å; I16-W45 HydrophobicContact CD1-CZ2 3.47Å; I16-W45 VanDerWaalsContact CD1-CZ2 3.47Å
17E93.7Very high93Very high119 Ų11970.1 Ų70.156%0.55637%0.374SS*.EExtended strand (participates in β ladder)trans-95.9123.3172.7-169.4142.5-142.700108.2K2K2-E17 VanDerWaalsContact CE-CD 3.48Å; K2-E17 WeakPolarHBondContact CE-OE1 3.41Å; K2-E17 WeakPolarHBondContact CE-OE2 3.47Å; K2-E17 HydrophobicContact CG-CG 4.42Å; K2-E17 IonicContact NZ-OE1 3.06Å; K2-E17 IonicContact NZ-OE2 2.67Å
18V92.5Very high92.9Very high11 Ų1171.3 Ų71.37%0.06738%0.378CS..  trans-122.9110.9-179.5-178.60000107.7M1 L3 I16 K23 L24M1-V18 PolarHBondContact N-O 2.9Å; M1-V18 PolarHBondContact O-N 3.3Å; M1-V18 VanDerWaalsContact O-O 3.11Å; L3-V18 HydrophobicContact CD1-CG2 3.76Å; L3-V18 HydrophobicContact CG-CG2 4.17Å; I16-V18 HydrophobicContact CG2-CG2 4.02Å; V18-K23 HydrophobicContact CG1-CB 3.83Å; V18-K23 HydrophobicContact CG1-CD 4.23Å; V18-L24 HydrophobicContact CB-CD2 4.17Å; V18-L24 HydrophobicContact CG1-CD2 4.03Å; V18-L24 HydrophobicContact CG1-CG 4.06Å
19D89.4Confident92.9Very high128 Ų12873.5 Ų73.568%0.68439%0.385SS*.  trans-98-26-179-62.9-33.1000112.4E21D19-E21 PolarHBondContact O-N 3.26Å
20E90.1Very high93Very high108 Ų10872.5 Ų72.551%0.50537%0.369SS..  trans-66.5113.8175.2-72.3171.7-135.400111.5L22 K23E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.33Å; E20-K23 HydrophobicContact CB-CD 4.19Å; E20-K23 HydrophobicContact CB-CG 4.3Å; E20-K23 PolarHBondContact O-N 2.95Å; E20-K23 IonicContact OE1-NZ 2.77Å; E20-K23 PolarHBondContact OE1-NZ 3.08Å; E20-K23 WeakPolarHBondContact OE2-CD 3.48Å; E20-K23 WeakPolarHBondContact OE2-CE 3.33Å; E20-K23 IonicContact OE2-NZ 3.02Å; E20-K23 PolarHBondContact OE2-NZ 3.3Å
21E88Confident93.1Very high100 Ų10077.2 Ų77.247%0.46738%0.384SS..Hα-helixtrans-66.3-29.7-177.6-166172.4-15300112.8D19 K23 L24 R25 Y28D19-E21 PolarHBondContact O-N 3.26Å; E21-K23 VanDerWaalsContact C-N 3.26Å; E21-K23 PolarHBondContact O-N 3.04Å; E21-L24 CarbonylContact O-C 3.57Å; E21-L24 WeakPolarHBondContact O-CA 3.31Å; E21-L24 PolarHBondContact O-N 3.06Å; E21-R25 HydrophobicContact CG-CG 4.36Å; E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.95Å; E21-R25 IonicContact OE2-NH2 4Å; E21-Y28 HydrophobicContact CG-CE2 4.37Å
22L90.4Very high93.2Very high137 Ų13775.7 Ų75.772%0.71736%0.364SS*.Hα-helixtrans-56.6-39.1175.5-83.4131.2000112.5E20 L24 P26E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.33Å; L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-P26 WeakPolarHBondContact O-CD 3.45Å
23K91.5Very high93.2Very high58 Ų5878.6 Ų78.625%0.25239%0.385SS..Hα-helixtrans-72.1-19.9175.8-64.9178172.1145.60112.5V18 E20 E21 F40 L41V18-K23 HydrophobicContact CG1-CB 3.83Å; V18-K23 HydrophobicContact CG1-CD 4.23Å; E20-K23 HydrophobicContact CB-CD 4.19Å; E20-K23 HydrophobicContact CB-CG 4.3Å; E20-K23 PolarHBondContact O-N 2.95Å; E20-K23 IonicContact OE1-NZ 2.77Å; E20-K23 PolarHBondContact OE1-NZ 3.08Å; E20-K23 WeakPolarHBondContact OE2-CD 3.48Å; E20-K23 WeakPolarHBondContact OE2-CE 3.33Å; E20-K23 IonicContact OE2-NZ 3.02Å; E20-K23 PolarHBondContact OE2-NZ 3.3Å; E21-K23 VanDerWaalsContact C-N 3.26Å; E21-K23 PolarHBondContact O-N 3.04Å; K23-F40 VanDerWaalsContact O-CD2 3.26Å; K23-F40 WeakPolarHBondContact O-CD2 3.16Å; K23-F40 WeakPolarHBondContact O-CE2 3.45Å; K23-L41 VanDerWaalsContact CE-O 3.3Å; K23-L41 WeakPolarHBondContact CE-O 3.41Å
24L92.4Very high93.2Very high8 Ų876 Ų764%0.04237%0.372CS..Hα-helixtrans-95.2-30.5-178-64.1175.2000113.5M1 L3 V18 E21 L22 P26 F27 Y28M1-L24 HydrophobicContact CB-CD1 3.64Å; M1-L24 HydrophobicContact CB-CD2 4.26Å; M1-L24 HydrophobicContact SD-CD2 4.35Å; L3-L24 HydrophobicContact CD2-CD2 4.32Å; V18-L24 HydrophobicContact CB-CD2 4.17Å; V18-L24 HydrophobicContact CG1-CD2 4.03Å; V18-L24 HydrophobicContact CG1-CG 4.06Å; E21-L24 CarbonylContact O-C 3.57Å; E21-L24 WeakPolarHBondContact O-CA 3.31Å; E21-L24 PolarHBondContact O-N 3.06Å; L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 PolarHBondContact O-N 3.19Å; L24-P26 VanDerWaalsContact C-CD 3.4Å; L24-P26 VanDerWaalsContact C-N 3.31Å; L24-F27 HydrophobicContact CD2-CD2 4.49Å; L24-F27 WeakPolarHBondContact O-CB 3.14Å; L24-F27 PolarHBondContact O-N 2.77Å; L24-Y28 HydrophobicContact CB-CE1 4.16Å
25R92.6Very high93.3Very high147 Ų14777.5 Ų77.556%0.55538%0.38SS*.G310 helixtrans-49.4-41.5-178.5-78.1175.1-172.8-1621.9114.2E21 F27 Y28E21-R25 HydrophobicContact CG-CG 4.36Å; E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.95Å; E21-R25 IonicContact OE2-NH2 4Å; R25-F27 PolarHBondContact O-N 3.09Å; R25-F27 VanDerWaalsContact O-N 3.17Å; R25-Y28 HydrophobicContact CG-CD2 4.31Å; R25-Y28 HydrophobicContact CG-CE2 4.34Å; R25-Y28 WeakPolarHBondContact O-CB 3.35Å; R25-Y28 PolarHBondContact O-N 3.41Å
26P94.1Very high93.3Very high47 Ų4774 Ų7431%0.30536%0.356SS..G310 helixtrans-64.5-20.8179.3-24.836.7000114.3L22 L24 K30 F40L22-P26 WeakPolarHBondContact O-CD 3.45Å; L24-P26 VanDerWaalsContact C-CD 3.4Å; L24-P26 VanDerWaalsContact C-N 3.31Å; P26-K30 WeakPolarHBondContact O-CE 3.41Å; P26-K30 WeakPolarHBondContact O-CG 3.3Å; P26-F40 HydrophobicContact CB-CD1 3.79Å; P26-F40 HydrophobicContact CB-CD2 4.2Å; P26-F40 HydrophobicContact CB-CE1 3.43Å; P26-F40 VanDerWaalsContact CB-CE1 3.43Å; P26-F40 HydrophobicContact CB-CE2 3.91Å; P26-F40 HydrophobicContact CB-CG 4.16Å; P26-F40 HydrophobicContact CB-CZ 3.54Å; P26-F40 HydrophobicContact CG-CB 4.39Å; P26-F40 HydrophobicContact CG-CD1 3.83Å; P26-F40 HydrophobicContact CG-CD2 3.77Å; P26-F40 HydrophobicContact CG-CE1 3.97Å; P26-F40 HydrophobicContact CG-CE2 3.94Å; P26-F40 HydrophobicContact CG-CG 3.73Å; P26-F40 HydrophobicContact CG-CZ 4.06Å
27F94.6Very high93.3Very high1 Ų175.8 Ų75.80%0.00437%0.37CS..G310 helixtrans-79.4-22.3172.9-65.5-74.2000113L3 L24 R25 K30 L36 V38 F40 L41 I52 V102 L109 L111L3-F27 HydrophobicContact CD1-CE2 4.23Å; L24-F27 HydrophobicContact CD2-CD2 4.49Å; L24-F27 WeakPolarHBondContact O-CB 3.14Å; L24-F27 PolarHBondContact O-N 2.77Å; R25-F27 PolarHBondContact O-N 3.09Å; R25-F27 VanDerWaalsContact O-N 3.17Å; F27-K30 WeakPolarHBondContact O-CB 3.35Å; F27-K30 WeakPolarHBondContact O-CG 3.05Å; F27-K30 PolarHBondContact O-N 3.34Å; F27-L36 HydrophobicContact CD1-CD1 3.63Å; F27-L36 HydrophobicContact CD1-CD2 3.96Å; F27-L36 HydrophobicContact CD1-CG 4.44Å; F27-L36 HydrophobicContact CE1-CD1 3.39Å; F27-L36 HydrophobicContact CE1-CD2 4.1Å; F27-L36 HydrophobicContact CE1-CG 4.26Å; F27-L36 HydrophobicContact CZ-CD1 4.14Å; F27-V38 HydrophobicContact CE1-CG1 4.32Å; F27-V38 HydrophobicContact CZ-CG1 4.12Å; F27-F40 AromaticContact CD2-CE2 3.96Å; F27-F40 HydrophobicContact CD2-CE2 3.96Å; F27-F40 HydrophobicContact CD2-CZ 4.19Å; F27-F40 HydrophobicContact CE1-CZ 4.28Å; F27-F40 AromaticContact CE2-CE2 3.51Å; F27-F40 HydrophobicContact CE2-CE2 3.51Å; F27-F40 AromaticContact CE2-CZ 3.85Å; F27-F40 HydrophobicContact CE2-CZ 3.85Å; F27-F40 AromaticContact CZ-CE2 3.93Å; F27-F40 HydrophobicContact CZ-CE2 3.93Å; F27-F40 AromaticContact CZ-CZ 3.88Å; F27-F40 HydrophobicContact CZ-CZ 3.88Å; F27-L41 HydrophobicContact CE2-CD1 3.83Å; F27-L41 HydrophobicContact CZ-CD1 3.74Å; F27-I52 HydrophobicContact CD1-CD1 4.27Å; F27-I52 HydrophobicContact CD1-CG1 4.34Å; F27-V102 HydrophobicContact CB-CG1 4.21Å; F27-V102 VanDerWaalsContact O-CB 3.31Å; F27-V102 WeakPolarHBondContact O-CB 3.26Å; F27-V102 WeakPolarHBondContact O-CG1 3Å; F27-L109 HydrophobicContact CB-CD2 4.13Å; F27-L109 HydrophobicContact CD1-CD2 3.89Å; F27-L109 HydrophobicContact CD2-CD2 4.48Å; F27-L109 HydrophobicContact CE1-CD2 4.36Å; F27-L109 HydrophobicContact CG-CD2 3.95Å; F27-L111 HydrophobicContact CD1-CD2 4.4Å; F27-L111 HydrophobicContact CE1-CD1 3.82Å; F27-L111 HydrophobicContact CE1-CD2 3.82Å; F27-L111 HydrophobicContact CZ-CD1 3.7Å
28Y94.3Very high93.3Very high40 Ų4070.1 Ų70.116%0.15734%0.344CS..THydrogen-bonded Turntrans-67.7150.4-178.2-60.4-16.9000111.2M1 E21 L24 R25 K30 V102M1-Y28 HydrophobicContact CE-CE1 4.09Å; E21-Y28 HydrophobicContact CG-CE2 4.37Å; L24-Y28 HydrophobicContact CB-CE1 4.16Å; R25-Y28 HydrophobicContact CG-CD2 4.31Å; R25-Y28 HydrophobicContact CG-CE2 4.34Å; R25-Y28 WeakPolarHBondContact O-CB 3.35Å; R25-Y28 PolarHBondContact O-N 3.41Å; Y28-K30 PolarHBondContact O-N 3.32Å; Y28-V102 HydrophobicContact CD1-CG1 4.16Å
29D93.3Very high93.3Very high124 Ų12473.3 Ų73.366%0.66336%0.36SS*.THydrogen-bonded Turntrans59.24.4-174-60-42.7000115.4V102D29-V102 PolarHBondContact N-O 2.98Å
30K95.5Very high93.4Very high78 Ų7870.2 Ų70.234%0.33934%0.341SS..PPolyproline II helixtrans-81.6150.4168.6-52.8-53.9-180-174.30110.2P26 F27 Y28 H34 I52 V102P26-K30 WeakPolarHBondContact O-CE 3.41Å; P26-K30 WeakPolarHBondContact O-CG 3.3Å; F27-K30 WeakPolarHBondContact O-CB 3.35Å; F27-K30 WeakPolarHBondContact O-CG 3.05Å; F27-K30 PolarHBondContact O-N 3.34Å; Y28-K30 PolarHBondContact O-N 3.32Å; K30-H34 HydrophobicContact CB-CB 4.47Å; K30-I52 HydrophobicContact CB-CD1 3.6Å; K30-I52 HydrophobicContact CG-CD1 4.46Å; K30-V102 PolarHBondContact O-N 3.08Å
31R95.4Very high93.4Very high128 Ų12865.8 Ų65.848%0.48332%0.321SS..BIsolated β-bridgetrans-97155.7177.6-65.5178.2-177-178.91110.5S33 H34 C100 I101R31-S33 PolarHBondContact O-N 2.74Å; R31-H34 WeakPolarHBondContact O-CB 3.48Å; R31-H34 PolarHBondContact O-N 2.92Å; R31-H34 VanDerWaalsContact O-N 3.1Å; R31-C100 CarbonylContact C-O 3.59Å; R31-C100 WeakPolarHBondContact CA-O 3.47Å; R31-I101 HydrophobicContact CG-CG1 4.03Å
32M95.1Very high93.5Very high20 Ų2062.4 Ų62.410%0.09931%0.312CS..THydrogen-bonded Turntrans-51.4141.9164.5-72.7174.570.400111.4H34 T53 M63 Q65 C100M32-H34 VanDerWaalsContact C-N 3.26Å; M32-T53 WeakPolarHBondContact CE-O 3.36Å; M32-M63 HydrophobicContact CG-CE 3.91Å; M32-M63 HydrophobicContact SD-CB 3.57Å; M32-M63 VanDerWaalsContact SD-CB 3.57Å; M32-M63 HydrophobicContact SD-CE 4.32Å; M32-Q65 HydrophobicContact CE-CB 4.4Å; M32-Q65 PolarHBondContact O-NE2 2.75Å; M32-Q65 VanDerWaalsContact O-NE2 3.1Å; M32-C100 HydrophobicContact CB-CB 4.16Å; M32-C100 HydrophobicContact CG-CB 4.09Å; M32-C100 PolarHBondContact N-O 2.83Å; M32-C100 HydrophobicContact SD-CB 3.98Å
33S95.4Very high93.4Very high68 Ų6862.6 Ų62.648%0.47631%0.314SS..THydrogen-bonded Turntrans741.5-173.4-41.80000115.7R31 I52 Q65R31-S33 PolarHBondContact O-N 2.74Å; S33-I52 VanDerWaalsContact CA-O 3.31Å; S33-I52 WeakPolarHBondContact CA-O 3.34Å; S33-I52 PolarHBondContact N-O 2.72Å; S33-Q65 PolarHBondContact OG-NE2 3.03Å
34H96.1Very high93.3Very high91 Ų9164.9 Ų64.942%0.42133%0.326SS..  trans-71.3135.7171.4-158.3-63.2000110.3K30 R31 M32 R51 I52K30-H34 HydrophobicContact CB-CB 4.47Å; R31-H34 WeakPolarHBondContact O-CB 3.48Å; R31-H34 PolarHBondContact O-N 2.92Å; R31-H34 VanDerWaalsContact O-N 3.1Å; M32-H34 VanDerWaalsContact C-N 3.26Å; H34-R51 WeakPolarHBondContact O-CA 3.38Å; H34-I52 PolarHBondContact O-N 3.1Å
35E96.3Very high93.2Very high93 Ų9365.1 Ų65.144%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-95.6136.5173.1-61.5-172.8172.400109.2I49 M50 R51E35-I49 HydrophobicContact CB-CG2 4.16Å; E35-M50 CarbonylContact C-O 3.57Å; E35-M50 WeakPolarHBondContact CA-O 3.38Å; E35-R51 HydrophobicContact CG-CB 4.02Å; E35-R51 HydrophobicContact CG-CG 4Å
36L93.9Very high93.2Very high10 Ų1063.7 Ų63.75%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-143.5142.9-178.659.9124.6000110.7F27 V38 F40 M50 I52F27-L36 HydrophobicContact CD1-CD1 3.63Å; F27-L36 HydrophobicContact CD1-CD2 3.96Å; F27-L36 HydrophobicContact CD1-CG 4.44Å; F27-L36 HydrophobicContact CE1-CD1 3.39Å; F27-L36 HydrophobicContact CE1-CD2 4.1Å; F27-L36 HydrophobicContact CE1-CG 4.26Å; F27-L36 HydrophobicContact CZ-CD1 4.14Å; L36-V38 HydrophobicContact CD1-CG1 3.74Å; L36-V38 HydrophobicContact CG-CG1 4.39Å; L36-F40 HydrophobicContact CD1-CE1 3.81Å; L36-F40 HydrophobicContact CD1-CZ 3.54Å; L36-M50 PolarHBondContact N-O 3.13Å; L36-M50 PolarHBondContact O-N 3.36Å; L36-I52 HydrophobicContact CD2-CD1 3.58Å; L36-I52 HydrophobicContact CD2-CG1 3.63Å
37P95.3Very high93.2Very high76 Ų7663 Ų6349%0.49433%0.325SS..EExtended strand (participates in β ladder)trans-65.4138.4166.929.4-32.7000108.5F40P37-F40 WeakPolarHBondContact O-CE1 3.19Å
38V93.6Very high93.2Very high0 Ų063 Ų630%033%0.325CS..  trans-113.222.3-175.3-740000113.4F27 L36 F40 L41 W45 Y48 M50F27-V38 HydrophobicContact CE1-CG1 4.32Å; F27-V38 HydrophobicContact CZ-CG1 4.12Å; L36-V38 HydrophobicContact CD1-CG1 3.74Å; L36-V38 HydrophobicContact CG-CG1 4.39Å; V38-F40 HydrophobicContact CG1-CZ 4.32Å; V38-F40 PolarHBondContact O-N 3.44Å; V38-L41 HydrophobicContact CB-CD1 3.78Å; V38-L41 HydrophobicContact CG1-CD1 4.03Å; V38-L41 PolarHBondContact O-N 2.95Å; V38-L41 VanDerWaalsContact O-N 3.08Å; V38-W45 HydrophobicContact CG2-CB 4.29Å; V38-W45 HydrophobicContact CG2-CE3 4.41Å; V38-W45 WeakPolarHBondContact O-CB 3.49Å; V38-Y48 VanDerWaalsContact CG2-CB 3.46Å; V38-Y48 WeakPolarHBondContact CG2-O 3.36Å; V38-Y48 PolarHBondContact N-O 3.36Å; V38-M50 HydrophobicContact CB-CE 4.48Å; V38-M50 HydrophobicContact CB-CG 4.37Å; V38-M50 HydrophobicContact CG1-CB 3.77Å; V38-M50 HydrophobicContact CG1-CE 4.48Å; V38-M50 HydrophobicContact CG1-CG 3.74Å; V38-M50 HydrophobicContact CG1-SD 4.06Å; V38-M50 HydrophobicContact CG2-CE 3.84Å; V38-M50 HydrophobicContact CG2-CG 3.76Å; V38-M50 HydrophobicContact CG2-SD 4.34Å
39D92.3Very high93.3Very high77 Ų7763.3 Ų63.341%0.41233%0.329SS..G310 helixtrans-55.7-28.6179.9-51.7-35.3000112.4L41 G42 K46 G47D39-L41 VanDerWaalsContact C-N 3.28Å; D39-L41 PolarHBondContact O-N 3.43Å; D39-G42 PolarHBondContact O-N 3.46Å; D39-K46 WeakPolarHBondContact OD1-CA 3.35Å; D39-G47 PolarHBondContact OD1-N 3.17Å
40F90.7Very high93.5Very high64 Ų6457.4 Ų57.428%0.28130%0.297SS..G310 helixtrans-71.3-11.9-179.558-103.1000115K23 P26 F27 L36 P37 V38 G42K23-F40 VanDerWaalsContact O-CD2 3.26Å; K23-F40 WeakPolarHBondContact O-CD2 3.16Å; K23-F40 WeakPolarHBondContact O-CE2 3.45Å; P26-F40 HydrophobicContact CB-CD1 3.79Å; P26-F40 HydrophobicContact CB-CD2 4.2Å; P26-F40 HydrophobicContact CB-CE1 3.43Å; P26-F40 VanDerWaalsContact CB-CE1 3.43Å; P26-F40 HydrophobicContact CB-CE2 3.91Å; P26-F40 HydrophobicContact CB-CG 4.16Å; P26-F40 HydrophobicContact CB-CZ 3.54Å; P26-F40 HydrophobicContact CG-CB 4.39Å; P26-F40 HydrophobicContact CG-CD1 3.83Å; P26-F40 HydrophobicContact CG-CD2 3.77Å; P26-F40 HydrophobicContact CG-CE1 3.97Å; P26-F40 HydrophobicContact CG-CE2 3.94Å; P26-F40 HydrophobicContact CG-CG 3.73Å; P26-F40 HydrophobicContact CG-CZ 4.06Å; F27-F40 AromaticContact CD2-CE2 3.96Å; F27-F40 HydrophobicContact CD2-CE2 3.96Å; F27-F40 HydrophobicContact CD2-CZ 4.19Å; F27-F40 HydrophobicContact CE1-CZ 4.28Å; F27-F40 AromaticContact CE2-CE2 3.51Å; F27-F40 HydrophobicContact CE2-CE2 3.51Å; F27-F40 AromaticContact CE2-CZ 3.85Å; F27-F40 HydrophobicContact CE2-CZ 3.85Å; F27-F40 AromaticContact CZ-CE2 3.93Å; F27-F40 HydrophobicContact CZ-CE2 3.93Å; F27-F40 AromaticContact CZ-CZ 3.88Å; F27-F40 HydrophobicContact CZ-CZ 3.88Å; L36-F40 HydrophobicContact CD1-CE1 3.81Å; L36-F40 HydrophobicContact CD1-CZ 3.54Å; P37-F40 WeakPolarHBondContact O-CE1 3.19Å; V38-F40 HydrophobicContact CG1-CZ 4.32Å; V38-F40 PolarHBondContact O-N 3.44Å; F40-G42 VanDerWaalsContact C-N 3.27Å
41L90.5Very high93.5Very high15 Ų1558.2 Ų58.28%0.07930%0.298CS..G310 helixtrans-71.9-24.9174.4-88.596.6000112.5L3 K23 F27 V38 D39 W45L3-L41 HydrophobicContact CD1-CD2 3.52Å; K23-L41 VanDerWaalsContact CE-O 3.3Å; K23-L41 WeakPolarHBondContact CE-O 3.41Å; F27-L41 HydrophobicContact CE2-CD1 3.83Å; F27-L41 HydrophobicContact CZ-CD1 3.74Å; V38-L41 HydrophobicContact CB-CD1 3.78Å; V38-L41 HydrophobicContact CG1-CD1 4.03Å; V38-L41 PolarHBondContact O-N 2.95Å; V38-L41 VanDerWaalsContact O-N 3.08Å; D39-L41 VanDerWaalsContact C-N 3.28Å; D39-L41 PolarHBondContact O-N 3.43Å; L41-W45 HydrophobicContact CB-CB 4.29Å; L41-W45 HydrophobicContact CB-CG 3.93Å
42G89.5Confident93.6Very high28 Ų2852.1 Ų52.129%0.28928%0.275SS..  trans147.8167.7-177.400000111.6D39 F40 E44 W45D39-G42 PolarHBondContact O-N 3.46Å; F40-G42 VanDerWaalsContact C-N 3.27Å; G42-E44 PolarHBondContact O-N 2.79Å; G42-E44 VanDerWaalsContact O-N 3.13Å; G42-W45 PolarHBondContact O-N 3.25Å
43D88.3Confident93.7Very high141 Ų14153.7 Ų53.775%0.75429%0.286SS*.G310 helixtrans-61-26.3-173.1-62.7-34.7000114W45 K46 N119D43-W45 PolarHBondContact O-N 3.47Å; D43-K46 WeakPolarHBondContact O-CB 3.37Å; D43-K46 PolarHBondContact O-N 2.98Å; D43-N119 PolarHBondContact O-ND2 2.91Å; D43-N119 VanDerWaalsContact O-ND2 3.17Å
44E89.9Confident93.7Very high107 Ų10750.7 Ų50.750%0.527%0.266SS..G310 helixtrans-62.1-27.3173.9-60.2-176.8176.900112.8G42G42-E44 PolarHBondContact O-N 2.79Å; G42-E44 VanDerWaalsContact O-N 3.13Å
45W90.9Very high93.8Very high12 Ų1246.6 Ų46.65%0.04525%0.248CC..G310 helixtrans-95.77.6-175.7-6293.8000113.3I5 I16 V38 L41 G42 D43 G47 Y48 M50 I121 L124I5-W45 HydrophobicContact CD1-CH2 3.49Å; I5-W45 VanDerWaalsContact CD1-CH2 3.49Å; I5-W45 HydrophobicContact CD1-CZ2 3.82Å; I5-W45 HydrophobicContact CD1-CZ3 4.21Å; I5-W45 HydrophobicContact CG2-CH2 4.18Å; I5-W45 HydrophobicContact CG2-CZ3 4.32Å; I16-W45 HydrophobicContact CD1-CH2 4.25Å; I16-W45 HydrophobicContact CD1-CZ2 3.47Å; I16-W45 VanDerWaalsContact CD1-CZ2 3.47Å; V38-W45 HydrophobicContact CG2-CB 4.29Å; V38-W45 HydrophobicContact CG2-CE3 4.41Å; V38-W45 WeakPolarHBondContact O-CB 3.49Å; L41-W45 HydrophobicContact CB-CB 4.29Å; L41-W45 HydrophobicContact CB-CG 3.93Å; G42-W45 PolarHBondContact O-N 3.25Å; D43-W45 PolarHBondContact O-N 3.47Å; W45-G47 PolarHBondContact O-N 2.73Å; W45-Y48 HydrophobicContact CE3-CD2 4.46Å; W45-Y48 HydrophobicContact CE3-CG 4.26Å; W45-Y48 WeakPolarHBondContact O-CB 3.21Å; W45-Y48 WeakPolarHBondContact O-CD2 3.32Å; W45-Y48 PolarHBondContact O-N 3.1Å; W45-Y48 VanDerWaalsContact O-N 3.09Å; W45-M50 HydrophobicContact CD2-CE 4.14Å; W45-M50 HydrophobicContact CE3-CE 3.15Å; W45-M50 HydrophobicContact CH2-CE 3.77Å; W45-M50 HydrophobicContact CZ3-CE 2.93Å; W45-I121 HydrophobicContact CD2-CD1 3.98Å; W45-I121 HydrophobicContact CE3-CD1 3.4Å; W45-I121 VanDerWaalsContact CE3-CD1 3.4Å; W45-I121 HydrophobicContact CH2-CD1 3.53Å; W45-I121 HydrophobicContact CH2-CG1 4.38Å; W45-I121 HydrophobicContact CH2-CG2 4.18Å; W45-I121 HydrophobicContact CZ2-CD1 4.03Å; W45-I121 HydrophobicContact CZ2-CG1 4.5Å; W45-I121 HydrophobicContact CZ2-CG2 4.17Å; W45-I121 HydrophobicContact CZ3-CD1 3.15Å; W45-I121 HydrophobicContact CZ3-CG1 4.35Å; W45-L124 HydrophobicContact CH2-CD2 3.8Å; W45-L124 HydrophobicContact CZ3-CD2 4.05Å
46K93.1Very high93.8Very high118 Ų11845 Ų4551%0.51324%0.243SC..THydrogen-bonded Turntrans-60.6127.3180-167.8178.1179.3-174.50112D39 D43 Y48 G117 E118D39-K46 WeakPolarHBondContact OD1-CA 3.35Å; D43-K46 WeakPolarHBondContact O-CB 3.37Å; D43-K46 PolarHBondContact O-N 2.98Å; K46-Y48 VanDerWaalsContact C-N 3.26Å; K46-Y48 PolarHBondContact O-N 2.95Å; K46-G117 WeakPolarHBondContact O-CA 3.48Å; K46-E118 PolarHBondContact O-N 3.21Å
47G93Very high93.9Very high32 Ų3244.8 Ų44.833%0.3324%0.242SC..THydrogen-bonded Turntrans79.8-0.8-178.900000114.5D39 W45 G117D39-G47 PolarHBondContact OD1-N 3.17Å; W45-G47 PolarHBondContact O-N 2.73Å; G47-G117 VanDerWaalsContact C-CA 3.48Å
48Y95.5Very high93.9Very high0 Ų047.4 Ų47.40%025%0.245CC..  trans-78.1137.6175.3-77.1-93.8000110.8V38 W45 K46 V113 K116 G117 N119 I121 T125V38-Y48 VanDerWaalsContact CG2-CB 3.46Å; V38-Y48 WeakPolarHBondContact CG2-O 3.36Å; V38-Y48 PolarHBondContact N-O 3.36Å; W45-Y48 HydrophobicContact CE3-CD2 4.46Å; W45-Y48 HydrophobicContact CE3-CG 4.26Å; W45-Y48 WeakPolarHBondContact O-CB 3.21Å; W45-Y48 WeakPolarHBondContact O-CD2 3.32Å; W45-Y48 PolarHBondContact O-N 3.1Å; W45-Y48 VanDerWaalsContact O-N 3.09Å; K46-Y48 VanDerWaalsContact C-N 3.26Å; K46-Y48 PolarHBondContact O-N 2.95Å; Y48-V113 HydrophobicContact CD1-CG1 3.82Å; Y48-V113 HydrophobicContact CD1-CG2 4.48Å; Y48-V113 HydrophobicContact CE1-CG1 4.24Å; Y48-K116 HydrophobicContact CE1-CB 4.35Å; Y48-K116 HydrophobicContact CE1-CG 3.88Å; Y48-G117 VanDerWaalsContact CD1-N 3.33Å; Y48-G117 VanDerWaalsContact CD2-CA 3.49Å; Y48-G117 VanDerWaalsContact CE1-N 3.28Å; Y48-G117 VanDerWaalsContact CZ-N 3.34Å; Y48-N119 WeakPolarHBondContact CE2-O 3.48Å; Y48-N119 VanDerWaalsContact CZ-O 3.28Å; Y48-N119 PolarHBondContact OH-O 3.33Å; Y48-I121 HydrophobicContact CD1-CD1 4.36Å; Y48-I121 HydrophobicContact CD2-CD1 4.24Å; Y48-I121 HydrophobicContact CE1-CD1 3.84Å; Y48-I121 HydrophobicContact CE2-CD1 3.69Å; Y48-I121 HydrophobicContact CE2-CG1 4.33Å; Y48-I121 VanDerWaalsContact CZ-CD1 3.48Å; Y48-T125 HydrophobicContact CE1-CG2 3.92Å; Y48-T125 WeakPolarHBondContact OH-CG2 3.37Å
49I95.9Very high93.9Very high48 Ų4853.9 Ų53.925%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-113.8124.6169.8-58.5175.8000107.9E35 V114 R115E35-I49 HydrophobicContact CB-CG2 4.16Å; I49-V114 PolarHBondContact O-N 3.48Å; I49-R115 HydrophobicContact CB-CB 4Å; I49-R115 HydrophobicContact CD1-CB 4.22Å; I49-R115 HydrophobicContact CG1-CB 4.23Å; I49-R115 PolarHBondContact N-O 3.2Å; I49-R115 PolarHBondContact O-N 3.11Å
50M96.4Very high94.1Very high0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-115.2148.6176.4-64.8-161.5-165.500112I5 E35 L36 V38 W45 L111 V112 V113I5-M50 HydrophobicContact CD1-CE 4.03Å; I5-M50 HydrophobicContact CG1-CE 4.4Å; I5-M50 HydrophobicContact CG1-SD 4.37Å; I5-M50 HydrophobicContact CG2-CE 3.76Å; I5-M50 HydrophobicContact CG2-SD 3.99Å; E35-M50 CarbonylContact C-O 3.57Å; E35-M50 WeakPolarHBondContact CA-O 3.38Å; L36-M50 PolarHBondContact N-O 3.13Å; L36-M50 PolarHBondContact O-N 3.36Å; V38-M50 HydrophobicContact CB-CE 4.48Å; V38-M50 HydrophobicContact CB-CG 4.37Å; V38-M50 HydrophobicContact CG1-CB 3.77Å; V38-M50 HydrophobicContact CG1-CE 4.48Å; V38-M50 HydrophobicContact CG1-CG 3.74Å; V38-M50 HydrophobicContact CG1-SD 4.06Å; V38-M50 HydrophobicContact CG2-CE 3.84Å; V38-M50 HydrophobicContact CG2-CG 3.76Å; V38-M50 HydrophobicContact CG2-SD 4.34Å; W45-M50 HydrophobicContact CD2-CE 4.14Å; W45-M50 HydrophobicContact CE3-CE 3.15Å; W45-M50 HydrophobicContact CH2-CE 3.77Å; W45-M50 HydrophobicContact CZ3-CE 2.93Å; M50-L111 HydrophobicContact SD-CB 3.71Å; M50-L111 HydrophobicContact SD-CD1 3.73Å; M50-L111 HydrophobicContact SD-CG 4.29Å; M50-V112 CarbonylContact C-O 3.59Å; M50-V112 WeakPolarHBondContact CA-O 3.31Å; M50-V113 HydrophobicContact CE-CG2 4.05Å; M50-V113 HydrophobicContact CG-CG2 4.21Å; M50-V113 HydrophobicContact SD-CG2 4.44Å
51R97Very high94.3Very high94 Ų9452.7 Ų52.736%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-106.7131.3170.6-171.1171.661.3-159.1-3.9110.6H34 E35 T53 L111 V112 V114H34-R51 WeakPolarHBondContact O-CA 3.38Å; E35-R51 HydrophobicContact CG-CB 4.02Å; E35-R51 HydrophobicContact CG-CG 4Å; R51-T53 PolarHBondContact O-N 3.1Å; R51-L111 WeakPolarHBondContact O-CA 3.36Å; R51-V112 PolarHBondContact N-O 3.24Å; R51-V112 PolarHBondContact O-N 3.32Å; R51-V114 HydrophobicContact CB-CG2 3.74Å
52I97Very high94.7Very high0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-70.1118170.6-59.9165.1000108.3F27 K30 S33 H34 L36 V102 L109 L111F27-I52 HydrophobicContact CD1-CD1 4.27Å; F27-I52 HydrophobicContact CD1-CG1 4.34Å; K30-I52 HydrophobicContact CB-CD1 3.6Å; K30-I52 HydrophobicContact CG-CD1 4.46Å; S33-I52 VanDerWaalsContact CA-O 3.31Å; S33-I52 WeakPolarHBondContact CA-O 3.34Å; S33-I52 PolarHBondContact N-O 2.72Å; H34-I52 PolarHBondContact O-N 3.1Å; L36-I52 HydrophobicContact CD2-CD1 3.58Å; L36-I52 HydrophobicContact CD2-CG1 3.63Å; I52-V102 HydrophobicContact CD1-CG2 4.16Å; I52-V102 HydrophobicContact CG2-CG2 4.08Å; I52-L109 HydrophobicContact CG2-CD1 3.94Å; I52-L111 HydrophobicContact CB-CD2 4.4Å; I52-L111 HydrophobicContact CG1-CD2 3.86Å
53T96.9Very high95Very high54 Ų5453.1 Ų53.133%0.33128%0.277SS..EExtended strand (participates in β ladder)trans-102.5-17.6-178.657.60000113.9M32 R51 N110 V112M32-T53 WeakPolarHBondContact CE-O 3.36Å; R51-T53 PolarHBondContact O-N 3.1Å; T53-N110 PolarHBondContact N-O 3.48Å; T53-N110 WeakPolarHBondContact OG1-CB 3.37Å; T53-N110 PolarHBondContact OG1-O 2.75Å; T53-V112 HydrophobicContact CG2-CB 3.73Å; T53-V112 HydrophobicContact CG2-CG2 3.4Å
54G96.1Very high95.4Very high5 Ų548.1 Ų48.15%0.05225%0.249CC..EExtended strand (participates in β ladder)trans152.7-158.4179.600000111N110G54-N110 PolarHBondContact O-N 2.85Å
55G96.6Very high95.7Very high5 Ų547.5 Ų47.55%0.05225%0.246CC..EExtended strand (participates in β ladder)trans171.7-179.6-177.200000111.8M63 V108G55-M63 WeakPolarHBondContact O-CG 3.38Å; G55-M63 PolarHBondContact O-N 2.94Å; G55-V108 CarbonylContact C-O 3.52Å; G55-V108 WeakPolarHBondContact CA-O 3.2Å
56N96.8Very high95.8Very high58 Ų5849.7 Ų49.731%0.3127%0.272SS..EExtended strand (participates in β ladder)trans-125.8133.5176-67.882.3000109.2G60 S107 V108N56-G60 PolarHBondContact ND2-O 3.28Å; N56-S107 PolarHBondContact O-N 2.8Å; N56-V108 PolarHBondContact N-O 3.02Å; N56-V108 PolarHBondContact O-N 2.86Å
57D95.7Very high95.9Very high6 Ų644.8 Ų44.83%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-63.2161.6170.6-166.3-50.2000110.4Q59 G60 F61 R72 R98D57-Q59 PolarHBondContact O-N 3.35Å; D57-Q59 VanDerWaalsContact O-N 3.08Å; D57-G60 WeakPolarHBondContact O-CA 3.21Å; D57-G60 PolarHBondContact O-N 3.26Å; D57-F61 HydrophobicContact CB-CB 4.33Å; D57-F61 WeakPolarHBondContact CB-O 3.4Å; D57-F61 PolarHBondContact N-O 2.9Å; D57-R72 IonicContact OD1-CZ 3.31Å; D57-R72 IonicContact OD1-NE 2.75Å; D57-R72 IonicContact OD1-NH2 3.05Å; D57-R72 PolarHBondContact OD1-NH2 2.85Å; D57-R72 IonicContact OD2-CZ 3.7Å; D57-R72 VanDerWaalsContact OD2-CZ 3.31Å; D57-R72 IonicContact OD2-NE 3.76Å; D57-R72 PolarHBondContact OD2-NE 2.79Å; D57-R72 IonicContact OD2-NH2 3.91Å; D57-R72 PolarHBondContact OD2-NH2 2.91Å; D57-R98 HydrophobicContact CB-CB 4.37Å; D57-R98 HydrophobicContact CB-CG 4.3Å; D57-R98 WeakPolarHBondContact OD2-CD 2.94Å; D57-R98 IonicContact OD2-CZ 2.95Å; D57-R98 IonicContact OD2-NE 2.98Å; D57-R98 IonicContact OD2-NH1 3.69Å; D57-R98 PolarHBondContact OD2-NH1 3.38Å
58K95.2Very high96Very high131 Ų13148.2 Ų48.257%0.5726%0.262SS*.THydrogen-bonded Turntrans-49.7-31174.6-74176.4178.4171.40114N105K58-N105 PolarHBondContact N-O 3.18Å
59Q95.3Very high96Very high137 Ų13750.9 Ų50.964%0.6428%0.278SS*.THydrogen-bonded Turntrans-97.916.9177.3-58.3159.49.200113D57 F61D57-Q59 PolarHBondContact O-N 3.35Å; D57-Q59 VanDerWaalsContact O-N 3.08Å; Q59-F61 HydrophobicContact CB-CD2 4.07Å; Q59-F61 HydrophobicContact CB-CE2 4.08Å; Q59-F61 PolarHBondContact O-N 2.56Å
60G95Very high95.9Very high45 Ų4551.1 Ų51.146%0.46428%0.28SS..SBendtrans84.3-3.1172.500000116.1N56 D57N56-G60 PolarHBondContact ND2-O 3.28Å; D57-G60 WeakPolarHBondContact O-CA 3.21Å; D57-G60 PolarHBondContact O-N 3.26Å
61F96.5Very high95.7Very high70 Ų7052.8 Ų52.831%0.30730%0.297SS..PPolyproline II helixtrans-67.9128.4178.4-66-82000111.2D57 Q59 S96D57-F61 HydrophobicContact CB-CB 4.33Å; D57-F61 WeakPolarHBondContact CB-O 3.4Å; D57-F61 PolarHBondContact N-O 2.9Å; Q59-F61 HydrophobicContact CB-CD2 4.07Å; Q59-F61 HydrophobicContact CB-CE2 4.08Å; Q59-F61 PolarHBondContact O-N 2.56Å; F61-S96 WeakPolarHBondContact CD1-O 3.37Å
62P97.1Very high95.7Very high42 Ų4251.9 Ų51.927%0.27329%0.294SS..BIsolated β-bridgetrans-76.6149.9-177.431.1-35.9000111.8C83 V97 R98P62-C83 HydrophobicContact CG-CB 3.75Å; P62-V97 WeakPolarHBondContact O-CG1 3.01Å; P62-R98 PolarHBondContact O-N 2.91Å
63M97Very high95.7Very high10 Ų1053.9 Ų53.95%0.04931%0.306CS..BIsolated β-bridgetrans-71.4147.5169.9-62.2177.977.200111.6M32 G55 R98 G99 C100 V102 L106M32-M63 HydrophobicContact CG-CE 3.91Å; M32-M63 HydrophobicContact SD-CB 3.57Å; M32-M63 VanDerWaalsContact SD-CB 3.57Å; M32-M63 HydrophobicContact SD-CE 4.32Å; G55-M63 WeakPolarHBondContact O-CG 3.38Å; G55-M63 PolarHBondContact O-N 2.94Å; M63-R98 WeakPolarHBondContact CA-O 3.46Å; M63-R98 HydrophobicContact CG-CB 4.23Å; M63-R98 HydrophobicContact CG-CG 3.89Å; M63-G99 WeakPolarHBondContact CE-O 3.26Å; M63-C100 WeakPolarHBondContact CE-O 3.26Å; M63-V102 HydrophobicContact CE-CG2 4.03Å; M63-L106 HydrophobicContact CE-CD1 4.47Å; M63-L106 HydrophobicContact CG-CD2 4.29Å; M63-L106 HydrophobicContact SD-CD1 3.86Å; M63-L106 HydrophobicContact SD-CD2 4.12Å
64K95.9Very high95.6Very high37 Ų3758.9 Ų58.916%0.16132%0.323CS..  trans-131130.6175.1172.1171.3178.658.10112.2V67 L75 L77 S82 V97 R98 C100K64-V67 HydrophobicContact CB-CG2 4.25Å; K64-V67 HydrophobicContact CD-CG2 4.27Å; K64-V67 HydrophobicContact CG-CG2 4.09Å; K64-V67 PolarHBondContact O-N 3.05Å; K64-L75 HydrophobicContact CD-CD1 3.87Å; K64-L77 HydrophobicContact CD-CD2 4.34Å; K64-S82 PolarHBondContact NZ-OG 3Å; K64-V97 HydrophobicContact CB-CG1 3.33Å; K64-V97 HydrophobicContact CD-CG1 4.15Å; K64-V97 HydrophobicContact CG-CG1 4.38Å; K64-R98 PolarHBondContact N-O 2.88Å; K64-C100 WeakPolarHBondContact O-CB 3.3Å
65Q95.9Very high95.7Very high94 Ų9461.2 Ų61.244%0.43933%0.334SS..THydrogen-bonded Turntrans-62.2138.7176.3-175.563.1-36.600112M32 S33M32-Q65 HydrophobicContact CE-CB 4.4Å; M32-Q65 PolarHBondContact O-NE2 2.75Å; M32-Q65 VanDerWaalsContact O-NE2 3.1Å; S33-Q65 PolarHBondContact OG-NE2 3.03Å
66G94.1Very high95.7Very high57 Ų5764.5 Ų64.559%0.58835%0.351SS*.THydrogen-bonded Turntrans87.7-2.7179.400000115.1L68G66-L68 PolarHBondContact O-N 2.99Å
67V95Very high95.7Very high16 Ų1662 Ų6210%0.09734%0.337CS..  trans-92.995.1172.8178.80000108.4K64 T69 V73 L75 G99 C100K64-V67 HydrophobicContact CB-CG2 4.25Å; K64-V67 HydrophobicContact CD-CG2 4.27Å; K64-V67 HydrophobicContact CG-CG2 4.09Å; K64-V67 PolarHBondContact O-N 3.05Å; V67-T69 WeakPolarHBondContact CG1-OG1 3.21Å; V67-T69 PolarHBondContact O-N 2.94Å; V67-V73 HydrophobicContact CG1-CG1 4.43Å; V67-V73 HydrophobicContact CG1-CG2 3.39Å; V67-V73 HydrophobicContact CG2-CG2 4.37Å; V67-L75 HydrophobicContact CG2-CD1 3.64Å; V67-G99 CarbonylContact O-C 3.55Å; V67-G99 WeakPolarHBondContact O-CA 3.4Å; V67-C100 PolarHBondContact O-N 3.28Å; V67-C100 PolarHBondContact O-SG 2.79Å
68L95.1Very high95.7Very high104 Ų10463.9 Ų63.955%0.54535%0.35SS..  trans-79.747.8-171.2-58-179.8000113.4G66G66-L68 PolarHBondContact O-N 2.99Å
69T94.8Very high95.7Very high55 Ų5565.7 Ų65.734%0.33736%0.358SS..  trans-128.7152.9176.860.40000109.6V67 G71 V73 G99V67-T69 WeakPolarHBondContact CG1-OG1 3.21Å; V67-T69 PolarHBondContact O-N 2.94Å; T69-G71 PolarHBondContact OG1-O 3.29Å; T69-V73 HydrophobicContact CG2-CG1 4.44Å; T69-G99 CarbonylContact O-C 3.59Å; T69-G99 WeakPolarHBondContact O-CA 3.42Å
70N93.5Very high95.7Very high53 Ų5362.9 Ų62.928%0.28337%0.367SS..SBendtrans-76.3-43.3170.5-61.129.2000108.3R98 I101 D103N70-R98 WeakPolarHBondContact O-CD 3.4Å; N70-R98 PolarHBondContact O-NE 3.29Å; N70-R98 PolarHBondContact O-NH1 2.88Å; N70-R98 PolarHBondContact O-NH2 2.9Å; N70-I101 WeakPolarHBondContact OD1-CB 3.44Å; N70-I101 VanDerWaalsContact OD1-CD1 3.22Å; N70-I101 WeakPolarHBondContact OD1-CD1 3.45Å; N70-I101 WeakPolarHBondContact OD1-CG2 3.39Å; N70-D103 HydrophobicContact CB-CB 4.39Å
71G94Very high95.7Very high35 Ų3562.4 Ų62.436%0.36136%0.356SS..SBendtrans-72.2-162.5-178.600000116.2T69 G99T69-G71 PolarHBondContact OG1-O 3.29Å; G71-G99 PolarHBondContact O-N 2.85Å
72R95.8Very high95.5Very high75 Ų7561.8 Ų61.828%0.28336%0.36SS..EExtended strand (participates in β ladder)trans-103.8146.7179.2-59.7-171-159.8135.910.1112D57 V97 R98D57-R72 IonicContact OD1-CZ 3.31Å; D57-R72 IonicContact OD1-NE 2.75Å; D57-R72 IonicContact OD1-NH2 3.05Å; D57-R72 PolarHBondContact OD1-NH2 2.85Å; D57-R72 IonicContact OD2-CZ 3.7Å; D57-R72 VanDerWaalsContact OD2-CZ 3.31Å; D57-R72 IonicContact OD2-NE 3.76Å; D57-R72 PolarHBondContact OD2-NE 2.79Å; D57-R72 IonicContact OD2-NH2 3.91Å; D57-R72 PolarHBondContact OD2-NH2 2.91Å; R72-V97 VanDerWaalsContact CA-O 3.3Å; R72-V97 WeakPolarHBondContact CA-O 3.47Å; R72-R98 HydrophobicContact CG-CB 4.47Å
73V96.4Very high95.4Very high43 Ų4361.6 Ų61.626%0.26136%0.36SS..EExtended strand (participates in β ladder)trans-132150.1176.5-63.80000110.5V67 T69 L75 S96 V97V67-V73 HydrophobicContact CG1-CG1 4.43Å; V67-V73 HydrophobicContact CG1-CG2 3.39Å; V67-V73 HydrophobicContact CG2-CG2 4.37Å; T69-V73 HydrophobicContact CG2-CG1 4.44Å; V73-L75 HydrophobicContact CG2-CD1 4.27Å; V73-L75 HydrophobicContact CG2-CD2 4.24Å; V73-L75 HydrophobicContact CG2-CG 3.98Å; V73-S96 CarbonylContact O-C 3.55Å; V73-S96 WeakPolarHBondContact O-CA 3.47Å; V73-V97 PolarHBondContact N-O 3.23Å; V73-V97 PolarHBondContact O-N 3.03Å
74K96.8Very high95.4Very high158 Ų15862.4 Ų62.469%0.68736%0.363SS*.EExtended strand (participates in β ladder)trans-94.5110.7174.3-78.6-177.9179.11730110.1R94 K95K74-R94 HydrophobicContact CB-CG 4.1Å; K74-K95 CarbonylContact C-O 3.49Å; K74-K95 WeakPolarHBondContact CA-O 3.07Å
75L96.2Very high95.3Very high54 Ų5468.6 Ų68.628%0.28339%0.385SS..EExtended strand (participates in β ladder)trans-108.7144.4179.7-62.6175.7000111.6K64 V67 V73 L77 R94 K95K64-L75 HydrophobicContact CD-CD1 3.87Å; V67-L75 HydrophobicContact CG2-CD1 3.64Å; V73-L75 HydrophobicContact CG2-CD1 4.27Å; V73-L75 HydrophobicContact CG2-CD2 4.24Å; V73-L75 HydrophobicContact CG2-CG 3.98Å; L75-L77 HydrophobicContact CB-CD2 3.93Å; L75-L77 HydrophobicContact CB-CG 4.36Å; L75-L77 PolarHBondContact O-N 2.92Å; L75-R94 CarbonylContact O-C 3.53Å; L75-R94 VanDerWaalsContact O-CA 3.26Å; L75-R94 WeakPolarHBondContact O-CA 3.47Å; L75-K95 PolarHBondContact N-O 2.94Å; L75-K95 PolarHBondContact O-N 2.89Å
76L97.1Very high95.3Very high75 Ų7565.1 Ų65.139%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-83.595.6172-17563.8000110.3R92 R94L76-R92 HydrophobicContact CD1-CB 3.85Å; L76-R92 HydrophobicContact CG-CB 4.08Å; L76-R94 HydrophobicContact CD1-CB 4.26Å
77L96.8Very high95.4Very high5 Ų571.8 Ų71.83%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-89.4143-173.8-57.6176.7000112.1K64 L75 C83 Y84 R92 R93 K95 V97K64-L77 HydrophobicContact CD-CD2 4.34Å; L75-L77 HydrophobicContact CB-CD2 3.93Å; L75-L77 HydrophobicContact CB-CG 4.36Å; L75-L77 PolarHBondContact O-N 2.92Å; L77-C83 HydrophobicContact CD1-CB 4.33Å; L77-Y84 HydrophobicContact CB-CD1 3.86Å; L77-Y84 HydrophobicContact CB-CG 4.04Å; L77-R92 VanDerWaalsContact O-CA 3.25Å; L77-R92 WeakPolarHBondContact O-CA 3.41Å; L77-R93 PolarHBondContact N-O 2.93Å; L77-R93 PolarHBondContact O-N 3.3Å; L77-K95 HydrophobicContact CD1-CB 4.1Å; L77-V97 HydrophobicContact CD1-CG2 4.07Å
78S95.8Very high95.4Very high45 Ų4580.7 Ų80.732%0.31541%0.41SS..  trans-118178.8178.6640000111.4G80 S81S78-G80 PolarHBondContact O-N 2.83Å; S78-S81 VanDerWaalsContact O-CB 3.32Å; S78-S81 WeakPolarHBondContact O-CB 3.5Å; S78-S81 PolarHBondContact O-N 2.87Å; S78-S81 PolarHBondContact O-OG 2.89Å
79K96.7Very high95.5Very high169 Ų16985.9 Ų85.974%0.73543%0.428SS*.THydrogen-bonded Turntrans-56.9131.3174.6-170.1179176-177.30111.3S81 P86K79-S81 VanDerWaalsContact C-N 3.3Å; K79-P86 HydrophobicContact CB-CG 3.78Å; K79-P86 HydrophobicContact CG-CG 3.89Å
80G94.9Very high95.4Very high79 Ų7986.6 Ų86.681%0.81445%0.446SS*.THydrogen-bonded Turntrans88.9-1017900000114.1S78S78-G80 PolarHBondContact O-N 2.83Å
81S94.2Very high95.5Very high34 Ų3486.5 Ų86.524%0.23844%0.444CS..  trans-67.6143.5168.8-64.50000110.9S78 K79S78-S81 VanDerWaalsContact O-CB 3.32Å; S78-S81 WeakPolarHBondContact O-CB 3.5Å; S78-S81 PolarHBondContact O-N 2.87Å; S78-S81 PolarHBondContact O-OG 2.89Å; K79-S81 VanDerWaalsContact C-N 3.3Å
82S92.9Very high95.7Very high57 Ų5792.1 Ų92.140%0.39945%0.454SS..THydrogen-bonded Turntrans-58.8153.7165.154.50000111.3K64 Y84K64-S82 PolarHBondContact NZ-OG 3Å; S82-Y84 PolarHBondContact O-N 2.78Å
83C94.9Very high95.7Very high39 Ų3995.6 Ų95.626%0.26447%0.468SS..THydrogen-bonded Turntrans71.42.7175.7-42.60000116.3P62 L77 K95 V97P62-C83 HydrophobicContact CG-CB 3.75Å; L77-C83 HydrophobicContact CD1-CB 4.33Å; C83-K95 PolarHBondContact O-NZ 3.33Å; C83-V97 HydrophobicContact CB-CG1 4.35Å; C83-V97 HydrophobicContact CB-CG2 4.47Å
84Y95.8Very high95.7Very high27 Ų27101.8 Ų101.811%0.10649%0.486CS..  trans-145.3139176.5176.9-120.2000113.3L77 S82 P86 E91 R93 K95L77-Y84 HydrophobicContact CB-CD1 3.86Å; L77-Y84 HydrophobicContact CB-CG 4.04Å; S82-Y84 PolarHBondContact O-N 2.78Å; Y84-P86 HydrophobicContact CE1-CB 3.78Å; Y84-P86 HydrophobicContact CE1-CG 4.42Å; Y84-P86 WeakPolarHBondContact OH-CA 3.38Å; Y84-E91 WeakPolarHBondContact OH-CG 3.26Å; Y84-E91 PolarHBondContact OH-OE1 2.64Å; Y84-R93 HydrophobicContact CD2-CB 4.44Å; Y84-R93 HydrophobicContact CE1-CB 4.31Å; Y84-R93 HydrophobicContact CE2-CB 3.71Å; Y84-K95 HydrophobicContact CD2-CD 3.71Å; Y84-K95 HydrophobicContact CE2-CD 4.5Å; Y84-K95 HydrophobicContact CG-CD 4.3Å
85R95.1Very high95.7Very high166 Ų16698.2 Ų98.263%0.62647%0.471SS*.  trans-122.6112.6170-172.9179.977.483.2-10.2108.5
86P96.2Very high95.8Very high22 Ų2297.1 Ų97.114%0.14347%0.468CS..  trans-67.6150.6-179.927.5-34.3000111.9K79 Y84 E91K79-P86 HydrophobicContact CB-CG 3.78Å; K79-P86 HydrophobicContact CG-CG 3.89Å; Y84-P86 HydrophobicContact CE1-CB 3.78Å; Y84-P86 HydrophobicContact CE1-CG 4.42Å; Y84-P86 WeakPolarHBondContact OH-CA 3.38Å; P86-E91 HydrophobicContact CB-CB 4.23Å
87R95.4Very high95.8Very high196 Ų19693.6 Ų93.674%0.7445%0.449SS*.SBendtrans-94.7-36.3176.4-62.1-63.8-177.1153.3-0.3111.1E91R87-E91 WeakPolarHBondContact CA-OE2 3.49Å; R87-E91 WeakPolarHBondContact CB-OE2 3.48Å; R87-E91 PolarHBondContact N-OE2 2.67Å
88R95.8Very high95.8Very high204 Ų20494 Ų9477%0.7745%0.45SS*.SBendtrans-110.4154.5174.7-66.4-179.6173.2178.9-2111.8G90 E91R88-G90 PolarHBondContact O-N 3.39Å; R88-E91 HydrophobicContact CB-CB 4.22Å; R88-E91 PolarHBondContact N-OE2 3.06Å; R88-E91 WeakPolarHBondContact O-CB 3.08Å; R88-E91 PolarHBondContact O-N 2.99Å
89K95.9Very high95.8Very high212 Ų21291.8 Ų91.892%0.92244%0.435SS*.THydrogen-bonded Turntrans-66.1131173.8-173.3-175.4176.6-170.50108.7E91K89-E91 PolarHBondContact O-N 2.83Å
90G94.3Very high95.8Very high70 Ų7083.8 Ų83.872%0.72240%0.4SS*.THydrogen-bonded Turntrans81.7-5.4-179.300000114.9R88 R92R88-G90 PolarHBondContact O-N 3.39Å; G90-R92 PolarHBondContact O-N 2.93Å
91E95.5Very high95.9Very high52 Ų5280.9 Ų80.924%0.24337%0.366CS..  trans-63.4131.3177.8-167.8-165.1150.100111Y84 P86 R87 R88 K89Y84-E91 WeakPolarHBondContact OH-CG 3.26Å; Y84-E91 PolarHBondContact OH-OE1 2.64Å; P86-E91 HydrophobicContact CB-CB 4.23Å; R87-E91 WeakPolarHBondContact CA-OE2 3.49Å; R87-E91 WeakPolarHBondContact CB-OE2 3.48Å; R87-E91 PolarHBondContact N-OE2 2.67Å; R88-E91 HydrophobicContact CB-CB 4.22Å; R88-E91 PolarHBondContact N-OE2 3.06Å; R88-E91 WeakPolarHBondContact O-CB 3.08Å; R88-E91 PolarHBondContact O-N 2.99Å; K89-E91 PolarHBondContact O-N 2.83Å
92R96.5Very high96Very high152 Ų15279.3 Ų79.357%0.57436%0.355SS*.  trans-117.4137.7167.8-59.6179.571.3177.11.8108.2L76 L77 G90L76-R92 HydrophobicContact CD1-CB 3.85Å; L76-R92 HydrophobicContact CG-CB 4.08Å; L77-R92 VanDerWaalsContact O-CA 3.25Å; L77-R92 WeakPolarHBondContact O-CA 3.41Å; G90-R92 PolarHBondContact O-N 2.93Å
93R96.7Very high96.1Very high149 Ų14978.4 Ų78.456%0.56235%0.345SS*.EExtended strand (participates in β ladder)trans-131.2132.5178.5-169.1168.4-179.9173-0110.8L77 Y84 K95L77-R93 PolarHBondContact N-O 2.93Å; L77-R93 PolarHBondContact O-N 3.3Å; Y84-R93 HydrophobicContact CD2-CB 4.44Å; Y84-R93 HydrophobicContact CE1-CB 4.31Å; Y84-R93 HydrophobicContact CE2-CB 3.71Å; R93-K95 HydrophobicContact CG-CG 4.23Å; R93-K95 PolarHBondContact O-N 3.43Å
94R97.1Very high96Very high173 Ų17378.5 Ų78.565%0.65335%0.347SS*.EExtended strand (participates in β ladder)trans-76.3118173-163.9173.6-74.8-162.8-1.6108.8K74 L75 L76K74-R94 HydrophobicContact CB-CG 4.1Å; L75-R94 CarbonylContact O-C 3.53Å; L75-R94 VanDerWaalsContact O-CA 3.26Å; L75-R94 WeakPolarHBondContact O-CA 3.47Å; L76-R94 HydrophobicContact CD1-CB 4.26Å
95K96.8Very high95.9Very high82 Ų8280.3 Ų80.336%0.35736%0.358SS..EExtended strand (participates in β ladder)trans-128.8146-179.7-65.8-166.671.5-174.60110.5K74 L75 L77 C83 Y84 R93K74-K95 CarbonylContact C-O 3.49Å; K74-K95 WeakPolarHBondContact CA-O 3.07Å; L75-K95 PolarHBondContact N-O 2.94Å; L75-K95 PolarHBondContact O-N 2.89Å; L77-K95 HydrophobicContact CD1-CB 4.1Å; C83-K95 PolarHBondContact O-NZ 3.33Å; Y84-K95 HydrophobicContact CD2-CD 3.71Å; Y84-K95 HydrophobicContact CE2-CD 4.5Å; Y84-K95 HydrophobicContact CG-CD 4.3Å; R93-K95 HydrophobicContact CG-CG 4.23Å; R93-K95 PolarHBondContact O-N 3.43Å
96S97.2Very high95.9Very high32 Ų3272.6 Ų72.622%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-75.1136.3169.9-168.20000109.9F61 V73F61-S96 WeakPolarHBondContact CD1-O 3.37Å; V73-S96 CarbonylContact O-C 3.55Å; V73-S96 WeakPolarHBondContact O-CA 3.47Å
97V96.9Very high95.9Very high1 Ų174 Ų741%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-141.7141.2-176.9-167.10000108.4P62 K64 R72 V73 L77 C83P62-V97 WeakPolarHBondContact O-CG1 3.01Å; K64-V97 HydrophobicContact CB-CG1 3.33Å; K64-V97 HydrophobicContact CD-CG1 4.15Å; K64-V97 HydrophobicContact CG-CG1 4.38Å; R72-V97 VanDerWaalsContact CA-O 3.3Å; R72-V97 WeakPolarHBondContact CA-O 3.47Å; V73-V97 PolarHBondContact N-O 3.23Å; V73-V97 PolarHBondContact O-N 3.03Å; L77-V97 HydrophobicContact CD1-CG2 4.07Å; C83-V97 HydrophobicContact CB-CG1 4.35Å; C83-V97 HydrophobicContact CB-CG2 4.47Å
98R97Very high95.9Very high12 Ų1266.2 Ų66.25%0.04531%0.314CS..EExtended strand (participates in β ladder)trans-76.4142.8174.2-179.765.5171.1-166.920.3109.2D57 P62 M63 K64 N70 R72 D103 L106D57-R98 HydrophobicContact CB-CB 4.37Å; D57-R98 HydrophobicContact CB-CG 4.3Å; D57-R98 WeakPolarHBondContact OD2-CD 2.94Å; D57-R98 IonicContact OD2-CZ 2.95Å; D57-R98 IonicContact OD2-NE 2.98Å; D57-R98 IonicContact OD2-NH1 3.69Å; D57-R98 PolarHBondContact OD2-NH1 3.38Å; P62-R98 PolarHBondContact O-N 2.91Å; M63-R98 WeakPolarHBondContact CA-O 3.46Å; M63-R98 HydrophobicContact CG-CB 4.23Å; M63-R98 HydrophobicContact CG-CG 3.89Å; K64-R98 PolarHBondContact N-O 2.88Å; N70-R98 WeakPolarHBondContact O-CD 3.4Å; N70-R98 PolarHBondContact O-NE 3.29Å; N70-R98 PolarHBondContact O-NH1 2.88Å; N70-R98 PolarHBondContact O-NH2 2.9Å; R72-R98 HydrophobicContact CG-CB 4.47Å; R98-D103 IonicContact NH2-OD2 3.88Å; R98-D103 PolarHBondContact NH2-OD2 2.85Å; R98-L106 HydrophobicContact CG-CD2 4.18Å
99G96.5Very high96Very high0 Ų056.5 Ų56.50%028%0.277CS..  trans-68176.8175.400000113.5M63 V67 T69 G71M63-G99 WeakPolarHBondContact CE-O 3.26Å; V67-G99 CarbonylContact O-C 3.55Å; V67-G99 WeakPolarHBondContact O-CA 3.4Å; T69-G99 CarbonylContact O-C 3.59Å; T69-G99 WeakPolarHBondContact O-CA 3.42Å; G71-G99 PolarHBondContact O-N 2.85Å
100C96.3Very high96.1Very high0 Ų048.1 Ų48.10%024%0.243CC..SBendtrans-89.4-8.7-173.272.70000113.9R31 M32 M63 K64 V67R31-C100 CarbonylContact C-O 3.59Å; R31-C100 WeakPolarHBondContact CA-O 3.47Å; M32-C100 HydrophobicContact CB-CB 4.16Å; M32-C100 HydrophobicContact CG-CB 4.09Å; M32-C100 PolarHBondContact N-O 2.83Å; M32-C100 HydrophobicContact SD-CB 3.98Å; M63-C100 WeakPolarHBondContact CE-O 3.26Å; K64-C100 WeakPolarHBondContact O-CB 3.3Å; V67-C100 PolarHBondContact O-N 3.28Å; V67-C100 PolarHBondContact O-SG 2.79Å
101I96.4Very high96.2Very high19 Ų1944.9 Ų44.910%0.09721%0.209CC..BIsolated β-bridgetrans-83.6131.4177.7-59.5165.4000109R31 N70R31-I101 HydrophobicContact CG-CG1 4.03Å; N70-I101 WeakPolarHBondContact OD1-CB 3.44Å; N70-I101 VanDerWaalsContact OD1-CD1 3.22Å; N70-I101 WeakPolarHBondContact OD1-CD1 3.45Å; N70-I101 WeakPolarHBondContact OD1-CG2 3.39Å
102V96.4Very high96.3Very high0 Ų043.5 Ų43.50%020%0.204CC..  trans-80.5137.2179.9178.80000109.8F27 Y28 D29 K30 I52 M63 L106 L109F27-V102 HydrophobicContact CB-CG1 4.21Å; F27-V102 VanDerWaalsContact O-CB 3.31Å; F27-V102 WeakPolarHBondContact O-CB 3.26Å; F27-V102 WeakPolarHBondContact O-CG1 3Å; Y28-V102 HydrophobicContact CD1-CG1 4.16Å; D29-V102 PolarHBondContact N-O 2.98Å; K30-V102 PolarHBondContact O-N 3.08Å; I52-V102 HydrophobicContact CD1-CG2 4.16Å; I52-V102 HydrophobicContact CG2-CG2 4.08Å; M63-V102 HydrophobicContact CE-CG2 4.03Å; V102-L106 HydrophobicContact CB-CD1 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.93Å; V102-L106 HydrophobicContact CG2-CD1 4.48Å; V102-L109 HydrophobicContact CG1-CD1 4.09Å; V102-L109 HydrophobicContact CG1-CD2 4.31Å; V102-L109 HydrophobicContact CG2-CD1 3.78Å
103D94.5Very high96.3Very high38 Ų3836.5 Ų36.520%0.20318%0.178CC..  trans-149.4166.3-176.4169.237.8000108.2M1 N70 R98 N105 L106M1-D103 WeakPolarHBondContact CE-O 3.48Å; N70-D103 HydrophobicContact CB-CB 4.39Å; R98-D103 IonicContact NH2-OD2 3.88Å; R98-D103 PolarHBondContact NH2-OD2 2.85Å; D103-N105 PolarHBondContact O-N 3Å; D103-N105 VanDerWaalsContact O-N 3.1Å; D103-N105 PolarHBondContact OD2-ND2 2.88Å; D103-L106 PolarHBondContact O-N 3.3Å
104S94Very high96.2Very high42 Ų4232.8 Ų32.829%0.29417%0.171SC..THydrogen-bonded Turntrans-60.2-19.6-179.865.80000113.7L106S104-L106 PolarHBondContact O-N 2.92Å; S104-L106 VanDerWaalsContact O-N 3.11Å
105N94.3Very high96.1Very high65 Ų6532.5 Ų32.535%0.34817%0.171SC..THydrogen-bonded Turntrans-80.921.8-178.5-66.5-54.3000115.2K58 D103K58-N105 PolarHBondContact N-O 3.18Å; D103-N105 PolarHBondContact O-N 3Å; D103-N105 VanDerWaalsContact O-N 3.1Å; D103-N105 PolarHBondContact OD2-ND2 2.88Å
106L95.2Very high95.9Very high4 Ų433 Ų332%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-95.7143.4171.6-60.8177.5000111.1M1 M63 R98 V102 D103 S104 L109M1-L106 HydrophobicContact CE-CB 3.85Å; M1-L106 HydrophobicContact SD-CB 4.17Å; M63-L106 HydrophobicContact CE-CD1 4.47Å; M63-L106 HydrophobicContact CG-CD2 4.29Å; M63-L106 HydrophobicContact SD-CD1 3.86Å; M63-L106 HydrophobicContact SD-CD2 4.12Å; R98-L106 HydrophobicContact CG-CD2 4.18Å; V102-L106 HydrophobicContact CB-CD1 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.93Å; V102-L106 HydrophobicContact CG2-CD1 4.48Å; D103-L106 PolarHBondContact O-N 3.3Å; S104-L106 PolarHBondContact O-N 2.92Å; S104-L106 VanDerWaalsContact O-N 3.11Å; L106-L109 HydrophobicContact CD1-CD1 3.84Å
107S95.2Very high95.7Very high51 Ų5132 Ų3236%0.35717%0.168SC..EExtended strand (participates in β ladder)trans-84.4-46.8168.8174.50000110.4K2 N56K2-S107 PolarHBondContact N-O 2.58Å; N56-S107 PolarHBondContact O-N 2.8Å
108V96.5Very high95.4Very high32 Ų3239 Ų3919%0.19420%0.2CC..EExtended strand (participates in β ladder)trans-131131.2-177.7-171.50000109.8K2 N4 G55 N56K2-V108 HydrophobicContact CB-CG1 4.48Å; K2-V108 HydrophobicContact CB-CG2 4.19Å; K2-V108 CarbonylContact O-C 3.6Å; K2-V108 VanDerWaalsContact O-CA 3.26Å; K2-V108 WeakPolarHBondContact O-CA 3.4Å; N4-V108 HydrophobicContact CB-CG1 3.87Å; G55-V108 CarbonylContact C-O 3.52Å; G55-V108 WeakPolarHBondContact CA-O 3.2Å; N56-V108 PolarHBondContact N-O 3.02Å; N56-V108 PolarHBondContact O-N 2.86Å
109L96.9Very high95.2Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-108.1125.1168.3-17069.1000109.2M1 K2 L3 N4 F27 I52 V102 L106 L111M1-L109 HydrophobicContact SD-CB 4.31Å; K2-L109 PolarHBondContact O-N 3.34Å; L3-L109 WeakPolarHBondContact CA-O 3.47Å; L3-L109 HydrophobicContact CD2-CB 3.75Å; L3-L109 HydrophobicContact CD2-CD2 4.07Å; L3-L109 HydrophobicContact CD2-CG 4.44Å; N4-L109 PolarHBondContact N-O 3.1Å; F27-L109 HydrophobicContact CB-CD2 4.13Å; F27-L109 HydrophobicContact CD1-CD2 3.89Å; F27-L109 HydrophobicContact CD2-CD2 4.48Å; F27-L109 HydrophobicContact CE1-CD2 4.36Å; F27-L109 HydrophobicContact CG-CD2 3.95Å; I52-L109 HydrophobicContact CG2-CD1 3.94Å; V102-L109 HydrophobicContact CG1-CD1 4.09Å; V102-L109 HydrophobicContact CG1-CD2 4.31Å; V102-L109 HydrophobicContact CG2-CD1 3.78Å; L106-L109 HydrophobicContact CD1-CD1 3.84Å; L109-L111 HydrophobicContact CD2-CD2 3.96Å; L109-L111 HydrophobicContact CG-CD2 4.09Å; L109-L111 HydrophobicContact CG-CG 4.48Å
110N97.3Very high94.9Very high37 Ų3746.3 Ų46.320%0.19824%0.24CC..EExtended strand (participates in β ladder)trans-92.9122.7179.1-62.9-57000110N4 T53 G54N4-N110 WeakPolarHBondContact CB-OD1 3.47Å; N4-N110 PolarHBondContact ND2-OD1 3.01Å; N4-N110 CarbonylContact O-C 3.59Å; N4-N110 WeakPolarHBondContact O-CA 3.27Å; T53-N110 PolarHBondContact N-O 3.48Å; T53-N110 WeakPolarHBondContact OG1-CB 3.37Å; T53-N110 PolarHBondContact OG1-O 2.75Å; G54-N110 PolarHBondContact O-N 2.85Å
111L96.9Very high94.6Very high1 Ų146.3 Ų46.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-120.5145.3-177.2-58.9175.5000110.4L3 N4 I5 A6 F27 M50 R51 I52 L109L3-L111 HydrophobicContact CB-CD1 4.36Å; L3-L111 HydrophobicContact CD1-CD1 4.26Å; L3-L111 HydrophobicContact CD2-CD1 4.19Å; N4-L111 PolarHBondContact O-N 2.85Å; I5-L111 WeakPolarHBondContact CA-O 3.43Å; I5-L111 HydrophobicContact CG1-CB 4.24Å; I5-L111 HydrophobicContact CG1-CD1 4.23Å; A6-L111 PolarHBondContact N-O 3.08Å; F27-L111 HydrophobicContact CD1-CD2 4.4Å; F27-L111 HydrophobicContact CE1-CD1 3.82Å; F27-L111 HydrophobicContact CE1-CD2 3.82Å; F27-L111 HydrophobicContact CZ-CD1 3.7Å; M50-L111 HydrophobicContact SD-CB 3.71Å; M50-L111 HydrophobicContact SD-CD1 3.73Å; M50-L111 HydrophobicContact SD-CG 4.29Å; R51-L111 WeakPolarHBondContact O-CA 3.36Å; I52-L111 HydrophobicContact CB-CD2 4.4Å; I52-L111 HydrophobicContact CG1-CD2 3.86Å; L109-L111 HydrophobicContact CD2-CD2 3.96Å; L109-L111 HydrophobicContact CG-CD2 4.09Å; L109-L111 HydrophobicContact CG-CG 4.48Å
112V97.2Very high94.4Very high24 Ų2448.9 Ų48.915%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-123.3126173.1165.40000109.1A6 P8 M50 R51 T53 V114A6-V112 HydrophobicContact CB-CG2 4.36Å; A6-V112 WeakPolarHBondContact O-CA 3.25Å; P8-V112 HydrophobicContact CG-CG1 3.58Å; M50-V112 CarbonylContact C-O 3.59Å; M50-V112 WeakPolarHBondContact CA-O 3.31Å; R51-V112 PolarHBondContact N-O 3.24Å; R51-V112 PolarHBondContact O-N 3.32Å; T53-V112 HydrophobicContact CG2-CB 3.73Å; T53-V112 HydrophobicContact CG2-CG2 3.4Å; V112-V114 PolarHBondContact O-N 3.39Å
113V96.1Very high94.1Very high5 Ų550.8 Ų50.83%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-69.2122.6172.5176.60000109.1I5 A6 F7 Y48 M50 R115 L124I5-V113 HydrophobicContact CG2-CG2 3.92Å; A6-V113 PolarHBondContact O-N 3.01Å; F7-V113 HydrophobicContact CD2-CB 3.83Å; F7-V113 HydrophobicContact CD2-CG1 3.84Å; F7-V113 HydrophobicContact CE2-CG1 4.07Å; Y48-V113 HydrophobicContact CD1-CG1 3.82Å; Y48-V113 HydrophobicContact CD1-CG2 4.48Å; Y48-V113 HydrophobicContact CE1-CG1 4.24Å; M50-V113 HydrophobicContact CE-CG2 4.05Å; M50-V113 HydrophobicContact CG-CG2 4.21Å; M50-V113 HydrophobicContact SD-CG2 4.44Å; V113-R115 WeakPolarHBondContact CG1-O 3.32Å; V113-L124 HydrophobicContact CG2-CD2 4.32Å
114V95.3Very high94Very high70 Ų7049 Ų4942%0.42427%0.268SS..EExtended strand (participates in β ladder)trans-96.9-44.4177.3-179.40000110.2I49 R51 V112I49-V114 PolarHBondContact O-N 3.48Å; R51-V114 HydrophobicContact CB-CG2 3.74Å; V112-V114 PolarHBondContact O-N 3.39Å
115R94.8Very high93.9Very high168 Ų16847.4 Ų47.463%0.63426%0.257SS*.EExtended strand (participates in β ladder)trans-123.4130.7177.6-169.4178178.1174.7-1.7109.5I49 V113I49-R115 HydrophobicContact CB-CB 4Å; I49-R115 HydrophobicContact CD1-CB 4.22Å; I49-R115 HydrophobicContact CG1-CB 4.23Å; I49-R115 PolarHBondContact N-O 3.2Å; I49-R115 PolarHBondContact O-N 3.11Å; V113-R115 WeakPolarHBondContact CG1-O 3.32Å
116K93.7Very high93.7Very high91 Ų9149.7 Ų49.740%0.39627%0.269SS..  trans-71.9133.7172.6-168.5-169.5172.6-176.90108.6Y48 D120 T125Y48-K116 HydrophobicContact CE1-CB 4.35Å; Y48-K116 HydrophobicContact CE1-CG 3.88Å; K116-D120 WeakPolarHBondContact CE-OD1 3.19Å; K116-D120 IonicContact NZ-OD1 3.85Å; K116-D120 PolarHBondContact NZ-OD1 3.47Å; K116-D120 IonicContact NZ-OD2 2.79Å; K116-D120 PolarHBondContact NZ-OD2 3.39Å; K116-T125 HydrophobicContact CG-CG2 4.46Å
117G91.8Very high93.6Very high12 Ų1252.8 Ų52.812%0.12429%0.288CS..  trans-80.9-166.6170.600000112.7K46 G47 Y48K46-G117 WeakPolarHBondContact O-CA 3.48Å; G47-G117 VanDerWaalsContact C-CA 3.48Å; Y48-G117 VanDerWaalsContact CD1-N 3.33Å; Y48-G117 VanDerWaalsContact CD2-CA 3.49Å; Y48-G117 VanDerWaalsContact CE1-N 3.28Å; Y48-G117 VanDerWaalsContact CZ-N 3.34Å
118E90.9Very high93.5Very high147 Ų14754.3 Ų54.369%0.68730%0.298SS*.SBendtrans-76.9-46.4-174.7-67.3171.2-177.400111.8K46K46-E118 PolarHBondContact O-N 3.21Å
119N92Very high93.3Very high78 Ų7857.3 Ų57.342%0.41731%0.313SS..SBendtrans-84.1143.6-176.6-66.7-30.8000111.8D43 Y48D43-N119 PolarHBondContact O-ND2 2.91Å; D43-N119 VanDerWaalsContact O-ND2 3.17Å; Y48-N119 WeakPolarHBondContact CE2-O 3.48Å; Y48-N119 VanDerWaalsContact CZ-O 3.28Å; Y48-N119 PolarHBondContact OH-O 3.33Å
120D91Very high93Very high88 Ų8862.6 Ų62.647%0.47135%0.347SS..PPolyproline II helixtrans-84.5135.4172.3-90.1-50.5000111.9K116 T125K116-D120 WeakPolarHBondContact CE-OD1 3.19Å; K116-D120 IonicContact NZ-OD1 3.85Å; K116-D120 PolarHBondContact NZ-OD1 3.47Å; K116-D120 IonicContact NZ-OD2 2.79Å; K116-D120 PolarHBondContact NZ-OD2 3.39Å; D120-T125 WeakPolarHBondContact CA-OG1 3.48Å; D120-T125 VanDerWaalsContact OD1-CB 3.26Å; D120-T125 WeakPolarHBondContact OD1-CB 3.38Å; D120-T125 PolarHBondContact OD1-OG1 2.95Å
121I90.4Very high92.7Very high0 Ų071.9 Ų71.90%038%0.379CS..PPolyproline II helixtrans-100123.3-178.8-62.9149.9000109K14 W45 Y48 G123 L124 T125K14-I121 HydrophobicContact CD-CG2 4.48Å; W45-I121 HydrophobicContact CD2-CD1 3.98Å; W45-I121 HydrophobicContact CE3-CD1 3.4Å; W45-I121 VanDerWaalsContact CE3-CD1 3.4Å; W45-I121 HydrophobicContact CH2-CD1 3.53Å; W45-I121 HydrophobicContact CH2-CG1 4.38Å; W45-I121 HydrophobicContact CH2-CG2 4.18Å; W45-I121 HydrophobicContact CZ2-CD1 4.03Å; W45-I121 HydrophobicContact CZ2-CG1 4.5Å; W45-I121 HydrophobicContact CZ2-CG2 4.17Å; W45-I121 HydrophobicContact CZ3-CD1 3.15Å; W45-I121 HydrophobicContact CZ3-CG1 4.35Å; Y48-I121 HydrophobicContact CD1-CD1 4.36Å; Y48-I121 HydrophobicContact CD2-CD1 4.24Å; Y48-I121 HydrophobicContact CE1-CD1 3.84Å; Y48-I121 HydrophobicContact CE2-CD1 3.69Å; Y48-I121 HydrophobicContact CE2-CG1 4.33Å; Y48-I121 VanDerWaalsContact CZ-CD1 3.48Å; I121-G123 PolarHBondContact O-N 2.85Å; I121-L124 HydrophobicContact CB-CB 4.24Å; I121-L124 HydrophobicContact CD1-CD2 4.39Å; I121-L124 HydrophobicContact CG2-CB 3.96Å; I121-L124 PolarHBondContact O-N 3.4Å; I121-L124 VanDerWaalsContact O-N 3.1Å; I121-T125 PolarHBondContact N-OG1 2.9Å; I121-T125 PolarHBondContact O-N 3.44Å; I121-T125 VanDerWaalsContact O-N 3.08Å
122P91.5Very high92.2Very high74 Ų7481.5 Ų81.548%0.48142%0.415SS..THydrogen-bonded Turntrans-62.8129.9-176.823.7-32.6000110.7K14 L124K14-P122 PolarHBondContact NZ-O 2.91Å; P122-L124 PolarHBondContact O-N 3.39Å
123G90.1Very high92Very high40 Ų4086.9 Ų86.941%0.41244%0.443SS..THydrogen-bonded Turntrans76.9-2.1-179.300000115.7I121I121-G123 PolarHBondContact O-N 2.85Å
124L92.5Very high91.8Very high0 Ų088.4 Ų88.40%046%0.459CS..THydrogen-bonded Turntrans-116.4-62.7176.1-169.470.9000112I5 F7 T12 K14 W45 V113 I121 P122I5-L124 HydrophobicContact CB-CD2 4.48Å; I5-L124 HydrophobicContact CG2-CD2 3.65Å; F7-L124 HydrophobicContact CB-CD1 4Å; F7-L124 HydrophobicContact CB-CG 4.04Å; T12-L124 WeakPolarHBondContact CB-O 3.47Å; T12-L124 PolarHBondContact OG1-O 3.32Å; K14-L124 HydrophobicContact CB-CB 4.45Å; K14-L124 HydrophobicContact CB-CD1 4.19Å; W45-L124 HydrophobicContact CH2-CD2 3.8Å; W45-L124 HydrophobicContact CZ3-CD2 4.05Å; V113-L124 HydrophobicContact CG2-CD2 4.32Å; I121-L124 HydrophobicContact CB-CB 4.24Å; I121-L124 HydrophobicContact CD1-CD2 4.39Å; I121-L124 HydrophobicContact CG2-CB 3.96Å; I121-L124 PolarHBondContact O-N 3.4Å; I121-L124 VanDerWaalsContact O-N 3.1Å; P122-L124 PolarHBondContact O-N 3.39Å
125T92.4Very high91.8Very high8 Ų886.7 Ų86.75%0.04945%0.449CS..THydrogen-bonded Turntrans-97.1-22.8-176.360.30000113.7F7 N10 Y48 K116 D120 I121F7-T125 HydrophobicContact CD1-CG2 4.03Å; F7-T125 HydrophobicContact CE1-CG2 4.16Å; N10-T125 PolarHBondContact ND2-O 2.93Å; Y48-T125 HydrophobicContact CE1-CG2 3.92Å; Y48-T125 WeakPolarHBondContact OH-CG2 3.37Å; K116-T125 HydrophobicContact CG-CG2 4.46Å; D120-T125 WeakPolarHBondContact CA-OG1 3.48Å; D120-T125 VanDerWaalsContact OD1-CB 3.26Å; D120-T125 WeakPolarHBondContact OD1-CB 3.38Å; D120-T125 PolarHBondContact OD1-OG1 2.95Å; I121-T125 PolarHBondContact N-OG1 2.9Å; I121-T125 PolarHBondContact O-N 3.44Å; I121-T125 VanDerWaalsContact O-N 3.08Å
126D90.8Very high91.9Very high114 Ų11483.3 Ų83.361%0.6144%0.439SS*.SBendtrans-68.7-48.6177177.430.8000111.9
127V92.6Very high92.1Very high69 Ų6983.7 Ų83.742%0.41844%0.438SS..  trans-85.4137.8-177.7-175.90000110.9N10 T12 I129N10-V127 WeakPolarHBondContact CB-O 3.39Å; N10-V127 PolarHBondContact ND2-O 2.84Å; T12-V127 HydrophobicContact CG2-CB 4.28Å; T12-V127 WeakPolarHBondContact CG2-O 3.22Å; V127-I129 HydrophobicContact CG1-CG1 4.42Å
128S93Very high92.3Very high82 Ų8283.5 Ų83.557%0.57344%0.435SS*.  trans-116.3121.2170.8-171.20000111.1
129I92.2Very high92.6Very high96 Ų9679.7 Ų79.749%0.49243%0.425SS..  trans-97.4113.9179.2-60175.8000108.5N10 T12 V127N10-I129 PolarHBondContact O-N 3.39Å; T12-I129 HydrophobicContact CG2-CD1 3.92Å; T12-I129 HydrophobicContact CG2-CG1 3.96Å; V127-I129 HydrophobicContact CG1-CG1 4.42Å
130P91.6Very high92.8Very high110 Ų11081.8 Ų81.871%0.71443%0.43SS*.  trans-66.6149.4-179.227.1-34.2000111.5R132P130-R132 PolarHBondContact O-N 2.77Å
131R90.6Very high93.1Very high232 Ų23277.6 Ų77.688%0.87541%0.408SS*.  trans-62.7123177.4-67.2-178.8-178.5-116.6-0.4110.5L133R131-L133 VanDerWaalsContact C-N 3.27Å; R131-L133 PolarHBondContact O-N 3.01Å; R131-L133 VanDerWaalsContact O-N 3.16Å
132R86.4Confident93.3Very high204 Ų20481.4 Ų81.477%0.7742%0.422SS*.SBendtrans-56.4-33-178.2-177.2179.4170.5173.52114.9P130P130-R132 PolarHBondContact O-N 2.77Å
133L91.8Very high93.6Very high137 Ų13786.2 Ų86.272%0.71744%0.435SS*.  trans-132.3131.9-171-63.3176.4000111.9R131R131-L133 VanDerWaalsContact C-N 3.27Å; R131-L133 PolarHBondContact O-N 3.01Å; R131-L133 VanDerWaalsContact O-N 3.16Å
134G92.5Very high93.8Very high36 Ų3688.8 Ų88.837%0.37144%0.439SS..  trans-78.7170.1169.600000113.7
135P96.5Very high94Very high34 Ų3493.2 Ų93.222%0.22146%0.459CS..  trans-67.1133.1178.725.8-32.4000112.8K140 I141 L144P135-K140 HydrophobicContact CB-CB 3.61Å; P135-I141 HydrophobicContact CB-CG1 4.12Å; P135-I141 HydrophobicContact CG-CG1 3.87Å; P135-I141 WeakPolarHBondContact O-CD1 3.5Å; P135-I141 VanDerWaalsContact O-CG1 3.24Å; P135-I141 WeakPolarHBondContact O-CG1 3.24Å; P135-L144 HydrophobicContact CG-CB 4.36Å; P135-L144 HydrophobicContact CG-CD2 3.72Å
136K96.9Very high94.1Very high97 Ų97100 Ų10042%0.42249%0.494SS..  trans-90.4-25.4176.4-179175.7-172.8-176.30114.5P175 K176 I177 Q178K136-P175 HydrophobicContact CB-CB 4.33Å; K136-P175 HydrophobicContact CG-CB 4.14Å; K136-K176 WeakPolarHBondContact CE-O 3.5Å; K136-K176 WeakPolarHBondContact CG-O 3.48Å; K136-I177 WeakPolarHBondContact O-CA 3.45Å; K136-Q178 HydrophobicContact CD-CG 4.36Å; K136-Q178 HydrophobicContact CG-CG 4.31Å; K136-Q178 PolarHBondContact O-N 3.13Å
137R97Very high94.4Very high100 Ų10095.9 Ų95.938%0.37747%0.473SS..BIsolated β-bridgetrans-86.8132.1-174-172.7-174.8-67.7-1760.6109.4S139 K140 I141 R179R137-S139 VanDerWaalsContact C-N 3.27Å; R137-S139 WeakPolarHBondContact CD-OG 3.38Å; R137-S139 PolarHBondContact O-N 3.46Å; R137-S139 VanDerWaalsContact O-N 3.15Å; R137-K140 HydrophobicContact CB-CB 4.35Å; R137-K140 HydrophobicContact CB-CD 4.48Å; R137-K140 HydrophobicContact CB-CG 4.24Å; R137-K140 WeakPolarHBondContact O-CA 3.36Å; R137-K140 PolarHBondContact O-N 3.12Å; R137-I141 PolarHBondContact O-N 3.11Å; R137-I141 VanDerWaalsContact O-N 3.1Å; R137-R179 HydrophobicContact CG-CG 4.43Å
138A96.2Very high94.5Very high7 Ų795.2 Ų95.26%0.05847%0.471CS..Hα-helixtrans-51-43-177.500000113.5K140 I141 R142 V153 I177 Q178A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.38Å; A138-I141 PolarHBondContact O-N 3.21Å; A138-R142 WeakPolarHBondContact O-CG 3.5Å; A138-R142 PolarHBondContact O-N 3.15Å; A138-V153 HydrophobicContact CB-CG1 4.49Å; A138-I177 HydrophobicContact CB-CG2 3.87Å; A138-Q178 PolarHBondContact N-O 3.45Å
139S96.4Very high94.4Very high67 Ų67100 Ų10047%0.46948%0.482SS..Hα-helixtrans-65.9-32.2177.865.10000113.9R137 K143R137-S139 VanDerWaalsContact C-N 3.27Å; R137-S139 WeakPolarHBondContact CD-OG 3.38Å; R137-S139 PolarHBondContact O-N 3.46Å; R137-S139 VanDerWaalsContact O-N 3.15Å; S139-K143 PolarHBondContact O-N 3Å; S139-K143 VanDerWaalsContact O-N 3.12Å
140K96.8Very high94.4Very high122 Ų122105.2 Ų105.253%0.5350%0.5SS..Hα-helixtrans-75.7-33.8177.6-71-169.2173.8-167.90111.7P135 R137 A138 K143 L144P135-K140 HydrophobicContact CB-CB 3.61Å; R137-K140 HydrophobicContact CB-CB 4.35Å; R137-K140 HydrophobicContact CB-CD 4.48Å; R137-K140 HydrophobicContact CB-CG 4.24Å; R137-K140 WeakPolarHBondContact O-CA 3.36Å; R137-K140 PolarHBondContact O-N 3.12Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.38Å; K140-K143 PolarHBondContact O-N 3.25Å; K140-L144 WeakPolarHBondContact O-CB 3.47Å; K140-L144 PolarHBondContact O-N 3.41Å
141I96.4Very high94.5Very high1 Ų1102.8 Ų102.81%0.00548%0.482CS..Hα-helixtrans-65.9-45173.6-60.9157.5000109.5P135 R137 A138 K143 L144 F145 V153 F156 V157 I177P135-I141 HydrophobicContact CB-CG1 4.12Å; P135-I141 HydrophobicContact CG-CG1 3.87Å; P135-I141 WeakPolarHBondContact O-CD1 3.5Å; P135-I141 VanDerWaalsContact O-CG1 3.24Å; P135-I141 WeakPolarHBondContact O-CG1 3.24Å; R137-I141 PolarHBondContact O-N 3.11Å; R137-I141 VanDerWaalsContact O-N 3.1Å; A138-I141 PolarHBondContact O-N 3.21Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.89Å; I141-L144 WeakPolarHBondContact O-CB 3.42Å; I141-L144 PolarHBondContact O-N 3.15Å; I141-L144 VanDerWaalsContact O-N 3.11Å; I141-F145 HydrophobicContact CG2-CD2 4.11Å; I141-F145 HydrophobicContact CG2-CE2 4.31Å; I141-F145 PolarHBondContact O-N 3.1Å; I141-V153 HydrophobicContact CB-CG1 3.49Å; I141-V153 VanDerWaalsContact CB-CG1 3.49Å; I141-V153 HydrophobicContact CD1-CG1 3.81Å; I141-V153 HydrophobicContact CG1-CG1 4.27Å; I141-V153 HydrophobicContact CG2-CG1 3.41Å; I141-V153 VanDerWaalsContact CG2-CG1 3.41Å; I141-F156 HydrophobicContact CG2-CB 4.19Å; I141-V157 HydrophobicContact CD1-CG2 4Å; I141-I177 HydrophobicContact CD1-CG1 4.25Å; I141-I177 HydrophobicContact CD1-CG2 4.08Å
142R95.8Very high94.7Very high80 Ų8095.7 Ų95.730%0.30246%0.461SS..Hα-helixtrans-56.7-45.1174.3-70.8-178.9175172.2-6.5112.8A138 L144 N146 L147 K149 V153A138-R142 WeakPolarHBondContact O-CG 3.5Å; A138-R142 PolarHBondContact O-N 3.15Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 2.93Å; R142-N146 CarbonylContact O-C 3.58Å; R142-N146 WeakPolarHBondContact O-CA 3.5Å; R142-N146 PolarHBondContact O-N 2.86Å; R142-L147 HydrophobicContact CB-CB 4.27Å; R142-L147 HydrophobicContact CG-CB 4.17Å; R142-L147 HydrophobicContact CG-CD1 4.45Å; R142-L147 PolarHBondContact O-N 3.34Å; R142-K149 PolarHBondContact NH2-O 2.92Å; R142-V153 HydrophobicContact CG-CG2 3.7Å; R142-V153 VanDerWaalsContact NE-CG2 3.26Å
143K96.6Very high95.1Very high174 Ų17486 Ų8676%0.75743%0.425SS*.Hα-helixtrans-65.5-33.1177.2-171.3172.6-177.9175.90112.8S139 K140 I141 N146S139-K143 PolarHBondContact O-N 3Å; S139-K143 VanDerWaalsContact O-N 3.12Å; K140-K143 PolarHBondContact O-N 3.25Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.89Å; K143-N146 PolarHBondContact O-OD1 3.06Å
144L95.3Very high95.1Very high95 Ų9582.1 Ų82.150%0.49741%0.408SS..Hα-helixtrans-67.4-40.7-179.1-179.363.3000112.1P135 K140 I141 R142P135-L144 HydrophobicContact CG-CB 4.36Å; P135-L144 HydrophobicContact CG-CD2 3.72Å; K140-L144 WeakPolarHBondContact O-CB 3.47Å; K140-L144 PolarHBondContact O-N 3.41Å; I141-L144 WeakPolarHBondContact O-CB 3.42Å; I141-L144 PolarHBondContact O-N 3.15Å; I141-L144 VanDerWaalsContact O-N 3.11Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 2.93Å
145F95.9Very high95.2Very high93 Ų9387.5 Ų87.541%0.40842%0.424SS..THydrogen-bonded Turntrans-105.413-177-63.2-77.1000113.2I141 L147 F156 V158I141-F145 HydrophobicContact CG2-CD2 4.11Å; I141-F145 HydrophobicContact CG2-CE2 4.31Å; I141-F145 PolarHBondContact O-N 3.1Å; F145-L147 HydrophobicContact CB-CD1 4.3Å; F145-L147 HydrophobicContact CB-CD2 3.89Å; F145-L147 HydrophobicContact CB-CG 3.79Å; F145-L147 PolarHBondContact O-N 3.16Å; F145-L147 VanDerWaalsContact O-N 3.15Å; F145-F156 HydrophobicContact CD2-CB 3.9Å; F145-F156 HydrophobicContact CE2-CB 4.15Å; F145-F156 WeakPolarHBondContact CE2-O 3.33Å; F145-F156 HydrophobicContact CG-CB 4.46Å; F145-V158 HydrophobicContact CE2-CG2 4.48Å; F145-V158 HydrophobicContact CZ-CG2 4.13Å
146N95.8Very high95.1Very high149 Ų14989.5 Ų89.580%0.79743%0.429SS*.THydrogen-bonded Turntrans48.639-175.5-64.5-30.8000114.2R142 K143R142-N146 CarbonylContact O-C 3.58Å; R142-N146 WeakPolarHBondContact O-CA 3.5Å; R142-N146 PolarHBondContact O-N 2.86Å; K143-N146 PolarHBondContact O-OD1 3.06Å
147L95.4Very high95Very high29 Ų2985.6 Ų85.615%0.15241%0.413CS..  trans-73.6149-176.3-57.3175.8000112.4R142 F145 D151 F156R142-L147 HydrophobicContact CB-CB 4.27Å; R142-L147 HydrophobicContact CG-CB 4.17Å; R142-L147 HydrophobicContact CG-CD1 4.45Å; R142-L147 PolarHBondContact O-N 3.34Å; F145-L147 HydrophobicContact CB-CD1 4.3Å; F145-L147 HydrophobicContact CB-CD2 3.89Å; F145-L147 HydrophobicContact CB-CG 3.79Å; F145-L147 PolarHBondContact O-N 3.16Å; F145-L147 VanDerWaalsContact O-N 3.15Å; L147-D151 HydrophobicContact CB-CB 4.2Å; L147-F156 HydrophobicContact CD1-CB 3.95Å; L147-F156 HydrophobicContact CD1-CD1 4.44Å; L147-F156 HydrophobicContact CD1-CD2 3.49Å; L147-F156 VanDerWaalsContact CD1-CD2 3.49Å; L147-F156 HydrophobicContact CD1-CE2 4.09Å; L147-F156 HydrophobicContact CD1-CG 3.7Å; L147-F156 HydrophobicContact CD2-CD1 4.06Å; L147-F156 HydrophobicContact CD2-CD2 4.03Å; L147-F156 HydrophobicContact CD2-CE1 3.93Å; L147-F156 HydrophobicContact CD2-CE2 3.91Å; L147-F156 HydrophobicContact CD2-CG 4.11Å; L147-F156 HydrophobicContact CD2-CZ 3.86Å; L147-F156 HydrophobicContact CG-CD2 4.43Å
148S94.9Very high94.8Very high55 Ų5584.2 Ų84.239%0.38542%0.416SS..  trans-68.6168.116998.50000111.7K150 D151S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 3.38Å; S148-K150 PolarHBondContact OG-N 2.73Å; S148-K150 VanDerWaalsContact OG-N 3.09Å; S148-D151 WeakPolarHBondContact CA-OD2 3Å; S148-D151 WeakPolarHBondContact CB-OD2 3.07Å; S148-D151 PolarHBondContact N-OD2 3.09Å; S148-D151 PolarHBondContact OG-N 3.44Å; S148-D151 PolarHBondContact OG-OD1 3.28Å; S148-D151 PolarHBondContact OG-OD2 2.68Å
149K91.9Very high94.7Very high183 Ų18390.7 Ų90.780%0.79644%0.439SS*.SBendtrans-69.5-24.6174.7-71.8179.1-176.6168.50112.9R142R142-K149 PolarHBondContact NH2-O 2.92Å
150K91.9Very high94.4Very high204 Ų20492.5 Ų92.589%0.88744%0.438SS*.SBendtrans-80.1-26.4-177.7-65.7-176.5179.1178.80111.6S148S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 3.38Å; S148-K150 PolarHBondContact OG-N 2.73Å; S148-K150 VanDerWaalsContact OG-N 3.09Å
151D94.2Very high94.1Very high60 Ų6091.5 Ų91.532%0.32145%0.445SS..SBendtrans-67.3141.5-173-50.3-15000112.4L147 S148 V153L147-D151 HydrophobicContact CB-CB 4.2Å; S148-D151 WeakPolarHBondContact CA-OD2 3Å; S148-D151 WeakPolarHBondContact CB-OD2 3.07Å; S148-D151 PolarHBondContact N-OD2 3.09Å; S148-D151 PolarHBondContact OG-N 3.44Å; S148-D151 PolarHBondContact OG-OD1 3.28Å; S148-D151 PolarHBondContact OG-OD2 2.68Å; D151-V153 PolarHBondContact O-N 3.4Å; D151-V153 VanDerWaalsContact O-N 3.1Å
152N93.8Very high93.6Very high82 Ų8293.5 Ų93.544%0.43946%0.457SS..  trans-77.598178.7-172.8-2.4000111.1C154 Q155 F156N152-C154 PolarHBondContact O-N 3.36Å; N152-C154 VanDerWaalsContact OD1-CB 3.28Å; N152-C154 WeakPolarHBondContact OD1-CB 3.41Å; N152-C154 PolarHBondContact OD1-N 3.34Å; N152-C154 VanDerWaalsContact OD1-N 3.1Å; N152-C154 PolarHBondContact OD1-SG 2.96Å; N152-Q155 PolarHBondContact O-N 3.1Å; N152-F156 WeakPolarHBondContact O-CD2 3.34Å
153V94.8Very high93Very high2 Ų294.9 Ų94.91%0.01248%0.476CS..THydrogen-bonded Turntrans-56.2-21.7180-166.20000113.5A138 I141 R142 D151 Q155 F156A138-V153 HydrophobicContact CB-CG1 4.49Å; I141-V153 HydrophobicContact CB-CG1 3.49Å; I141-V153 VanDerWaalsContact CB-CG1 3.49Å; I141-V153 HydrophobicContact CD1-CG1 3.81Å; I141-V153 HydrophobicContact CG1-CG1 4.27Å; I141-V153 HydrophobicContact CG2-CG1 3.41Å; I141-V153 VanDerWaalsContact CG2-CG1 3.41Å; R142-V153 HydrophobicContact CG-CG2 3.7Å; R142-V153 VanDerWaalsContact NE-CG2 3.26Å; D151-V153 PolarHBondContact O-N 3.4Å; D151-V153 VanDerWaalsContact O-N 3.1Å; V153-Q155 VanDerWaalsContact C-N 3.28Å; V153-Q155 PolarHBondContact O-N 3.35Å; V153-F156 PolarHBondContact O-N 3.37Å
154C93.2Very high92.4Very high55 Ų5589.4 Ų89.437%0.37246%0.463SS..THydrogen-bonded Turntrans-65-29.4-179-64.10000114.1N152 I177 L180N152-C154 PolarHBondContact O-N 3.36Å; N152-C154 VanDerWaalsContact OD1-CB 3.28Å; N152-C154 WeakPolarHBondContact OD1-CB 3.41Å; N152-C154 PolarHBondContact OD1-N 3.34Å; N152-C154 VanDerWaalsContact OD1-N 3.1Å; N152-C154 PolarHBondContact OD1-SG 2.96Å; C154-I177 HydrophobicContact CB-CD1 4.18Å; C154-L180 VanDerWaalsContact SG-CD2 3.6Å
155Q93.4Very high91.8Very high148 Ų14892.6 Ų92.669%0.69247%0.473SS*.THydrogen-bonded Turntrans-76.4-31.6-180-67.8169.3-14.100111.5N152 V153 V157N152-Q155 PolarHBondContact O-N 3.1Å; V153-Q155 VanDerWaalsContact C-N 3.28Å; V153-Q155 PolarHBondContact O-N 3.35Å; Q155-V157 VanDerWaalsContact C-N 3.33Å; Q155-V157 PolarHBondContact O-N 2.99Å
156F94.7Very high91.2Very high76 Ų7697.7 Ų97.733%0.33350%0.498SS..THydrogen-bonded Turntrans-90.814.8-175.6-57.2-84.8000113.9I141 F145 L147 N152 V153 V158I141-F156 HydrophobicContact CG2-CB 4.19Å; F145-F156 HydrophobicContact CD2-CB 3.9Å; F145-F156 HydrophobicContact CE2-CB 4.15Å; F145-F156 WeakPolarHBondContact CE2-O 3.33Å; F145-F156 HydrophobicContact CG-CB 4.46Å; L147-F156 HydrophobicContact CD1-CB 3.95Å; L147-F156 HydrophobicContact CD1-CD1 4.44Å; L147-F156 HydrophobicContact CD1-CD2 3.49Å; L147-F156 VanDerWaalsContact CD1-CD2 3.49Å; L147-F156 HydrophobicContact CD1-CE2 4.09Å; L147-F156 HydrophobicContact CD1-CG 3.7Å; L147-F156 HydrophobicContact CD2-CD1 4.06Å; L147-F156 HydrophobicContact CD2-CD2 4.03Å; L147-F156 HydrophobicContact CD2-CE1 3.93Å; L147-F156 HydrophobicContact CD2-CE2 3.91Å; L147-F156 HydrophobicContact CD2-CG 4.11Å; L147-F156 HydrophobicContact CD2-CZ 3.86Å; L147-F156 HydrophobicContact CG-CD2 4.43Å; N152-F156 WeakPolarHBondContact O-CD2 3.34Å; V153-F156 PolarHBondContact O-N 3.37Å; F156-V158 PolarHBondContact O-N 3.22Å
157V94.3Very high90.5Very high15 Ų1595.1 Ų95.19%0.09151%0.506CS..PPolyproline II helixtrans-77.8121.4177.1-178.30000109.8I141 Q155 R159 A174 P175 I177I141-V157 HydrophobicContact CD1-CG2 4Å; Q155-V157 VanDerWaalsContact C-N 3.33Å; Q155-V157 PolarHBondContact O-N 2.99Å; V157-R159 WeakPolarHBondContact O-CG 3.46Å; V157-R159 PolarHBondContact O-N 3.1Å; V157-R159 VanDerWaalsContact O-N 3.08Å; V157-A174 HydrophobicContact CG1-CB 4.13Å; V157-P175 HydrophobicContact CG1-CG 3.75Å; V157-I177 HydrophobicContact CG2-CD1 3.29Å; V157-I177 HydrophobicContact CG2-CG1 3.57Å
158V93.1Very high90Very high72 Ų7299.7 Ų99.744%0.43653%0.525SS..PPolyproline II helixtrans-56.5117171.6-177.70000109.6F145 F156F145-V158 HydrophobicContact CE2-CG2 4.48Å; F145-V158 HydrophobicContact CZ-CG2 4.13Å; F156-V158 PolarHBondContact O-N 3.22Å
159R93.2Very high89.5Confident142 Ų142106.1 Ų106.154%0.53655%0.546SS..PPolyproline II helixtrans-95139.5174.1-48.2-167.880.698.1-6.1108.9V157 S172 K173 A174V157-R159 WeakPolarHBondContact O-CG 3.46Å; V157-R159 PolarHBondContact O-N 3.1Å; V157-R159 VanDerWaalsContact O-N 3.08Å; R159-S172 PolarHBondContact NE-OG 2.93Å; R159-K173 CarbonylContact C-O 3.53Å; R159-K173 WeakPolarHBondContact CA-O 3.48Å; R159-A174 HydrophobicContact CG-CB 4.12Å
160K90.6Very high89.3Confident105 Ų105105.5 Ų105.546%0.45755%0.546SS..EExtended strand (participates in β ladder)trans-94.2121.9173.8177.5172.5178.6177.60109.1V162 S172 K173K160-V162 PolarHBondContact O-N 3.08Å; K160-S172 CarbonylContact O-C 3.57Å; K160-S172 WeakPolarHBondContact O-CA 3.37Å; K160-K173 PolarHBondContact N-O 3.4Å; K160-K173 PolarHBondContact O-N 3.25Å
161P90.2Very high89.3Confident102 Ų102104 Ų10466%0.66254%0.535SS*.EExtended strand (participates in β ladder)trans-64.4130.4166.528-32.3000108.8
162V86.8Confident89.2Confident43 Ų43104.2 Ų104.226%0.26154%0.541SS..EExtended strand (participates in β ladder)trans-99.6125.5172.9-1760000106.2K160 A164 R171 K173K160-V162 PolarHBondContact O-N 3.08Å; V162-A164 PolarHBondContact O-N 3.4Å; V162-R171 WeakPolarHBondContact CB-O 3.39Å; V162-R171 PolarHBondContact N-O 3.12Å; V162-K173 HydrophobicContact CG2-CB 4.09Å; V162-K173 HydrophobicContact CG2-CD 3.57Å; V162-K173 HydrophobicContact CG2-CG 3.58Å
163P83.6Confident89.1Confident109 Ų109107 Ų10771%0.70855%0.549SS*.PPolyproline II helixtrans-54.6137.817922.1-32.3000109.7K165P163-K165 PolarHBondContact O-N 3.05Å
164A83.1Confident89Confident58 Ų58108.9 Ų108.948%0.47956%0.564SS.*PPolyproline II helixtrans-55.7126.6173.500000108.3V162 K168 E170V162-A164 PolarHBondContact O-N 3.4Å; A164-K168 WeakPolarHBondContact CB-O 3.44Å; A164-E170 HydrophobicContact CB-CG 4.2Å
165K82.5Confident89.2Confident162 Ų162108.5 Ų108.570%0.70456%0.562SS**PPolyproline II helixtrans-79144.6161.5-71-170.2172.6-163.20106.4P163 G167 K168P163-K165 PolarHBondContact O-N 3.05Å; K165-G167 PolarHBondContact O-N 3.49Å; K165-K168 HydrophobicContact CB-CD 4.49Å; K165-K168 WeakPolarHBondContact O-CB 3.49Å; K165-K168 PolarHBondContact O-N 3.02Å
166E83.9Confident89.3Confident201 Ų201110.2 Ų110.294%0.93957%0.567SS**THydrogen-bonded Turntrans-41.3126.5178-70.2175.4172.400111.3K168E166-K168 PolarHBondContact O-N 3.07Å
167G81.2Confident89.3Confident94 Ų94108 Ų10897%0.96956%0.558SS**THydrogen-bonded Turntrans76.63.8-178.200000116.8K165K165-G167 PolarHBondContact O-N 3.49Å
168K83.9Confident89.4Confident126 Ų126112 Ų11255%0.54858%0.576SS.*SBendtrans-118.5132.6179.3-63.7-177.7-176.7176.30111.8A164 K165 E166A164-K168 WeakPolarHBondContact CB-O 3.44Å; K165-K168 HydrophobicContact CB-CD 4.49Å; K165-K168 WeakPolarHBondContact O-CB 3.49Å; K165-K168 PolarHBondContact O-N 3.02Å; E166-K168 PolarHBondContact O-N 3.07Å
169K85.6Confident89.5Confident190 Ų190117 Ų11783%0.82659%0.587SS**  trans-52.1146.1173.3-62.1-175.2179.4-175.40111.3R171K169-R171 WeakPolarHBondContact O-CG 3.5Å
170E88.3Confident89.6Confident169 Ų169112.6 Ų112.679%0.7957%0.573SS**  trans-55.4137.8173-63.5-175.7172.500111A164A164-E170 HydrophobicContact CB-CG 4.2Å
171R90.4Very high89.7Confident174 Ų174111.9 Ų111.966%0.65758%0.578SS**EExtended strand (participates in β ladder)trans-130.4140.8-179-65-179.1-173.3-171.8-0.9110.2V162 K169V162-R171 WeakPolarHBondContact CB-O 3.39Å; V162-R171 PolarHBondContact N-O 3.12Å; K169-R171 WeakPolarHBondContact O-CG 3.5Å
172S91.9Very high89.9Confident64 Ų64109.7 Ų109.745%0.44856%0.563SS.*EExtended strand (participates in β ladder)trans-100.8138.1169.171.80000111R159 K160R159-S172 PolarHBondContact NE-OG 2.93Å; K160-S172 CarbonylContact O-C 3.57Å; K160-S172 WeakPolarHBondContact O-CA 3.37Å
173K92.7Very high90.4Very high140 Ų140112.8 Ų112.861%0.60958%0.584SS**EExtended strand (participates in β ladder)trans-109.6132.5174.3-75.4-177.5-178176.30110.3R159 K160 V162R159-K173 CarbonylContact C-O 3.53Å; R159-K173 WeakPolarHBondContact CA-O 3.48Å; K160-K173 PolarHBondContact N-O 3.4Å; K160-K173 PolarHBondContact O-N 3.25Å; V162-K173 HydrophobicContact CG2-CB 4.09Å; V162-K173 HydrophobicContact CG2-CD 3.57Å; V162-K173 HydrophobicContact CG2-CG 3.58Å
174A93.6Very high91Very high41 Ų41111.7 Ų111.734%0.33957%0.572SS.*  trans-120144.7172.800000110.5V157 R159V157-A174 HydrophobicContact CG1-CB 4.13Å; R159-A174 HydrophobicContact CG-CB 4.12Å
175P95.8Very high91.6Very high48 Ų48115.3 Ų115.331%0.31257%0.573SS.*  trans-69142.317329.1-35.5000111.3K136 V157 I177K136-P175 HydrophobicContact CB-CB 4.33Å; K136-P175 HydrophobicContact CG-CB 4.14Å; V157-P175 HydrophobicContact CG1-CG 3.75Å; P175-I177 PolarHBondContact O-N 3.49Å; P175-I177 VanDerWaalsContact O-N 3.13Å
176K95.8Very high92.3Very high183 Ų183111.5 Ų111.580%0.79656%0.56SS**  trans-62.3115.8166.9-177.2175.1-175.9171.40109.7K136 Q178K136-K176 WeakPolarHBondContact CE-O 3.5Å; K136-K176 WeakPolarHBondContact CG-O 3.48Å; K176-Q178 PolarHBondContact O-N 3.5Å
177I96Very high93Very high30 Ų30107.7 Ų107.715%0.15454%0.542CS..  trans-64.3127.1-177.5-53.9171.6000109.8K136 A138 I141 C154 V157 P175 L180K136-I177 WeakPolarHBondContact O-CA 3.45Å; A138-I177 HydrophobicContact CB-CG2 3.87Å; I141-I177 HydrophobicContact CD1-CG1 4.25Å; I141-I177 HydrophobicContact CD1-CG2 4.08Å; C154-I177 HydrophobicContact CB-CD1 4.18Å; V157-I177 HydrophobicContact CG2-CD1 3.29Å; V157-I177 HydrophobicContact CG2-CG1 3.57Å; P175-I177 PolarHBondContact O-N 3.49Å; P175-I177 VanDerWaalsContact O-N 3.13Å; I177-L180 HydrophobicContact CG2-CB 4.31Å
178Q95.8Very high93.8Very high98 Ų98111.1 Ų111.146%0.45853%0.526SS..BIsolated β-bridgetrans-95.4149.9175-76.8179.3-1400111.5K136 A138 K176 L180K136-Q178 HydrophobicContact CD-CG 4.36Å; K136-Q178 HydrophobicContact CG-CG 4.31Å; K136-Q178 PolarHBondContact O-N 3.13Å; A138-Q178 PolarHBondContact N-O 3.45Å; K176-Q178 PolarHBondContact O-N 3.5Å; Q178-L180 PolarHBondContact O-N 2.81Å
179R94.8Very high94.5Very high179 Ų179111 Ų11168%0.67553%0.525SS*.SBendtrans63.122.2179.8-55.3-174.1171.6-143.9-3114.6R137R137-R179 HydrophobicContact CG-CG 4.43Å
180L94.8Very high95.1Very high48 Ų48111 Ų11125%0.25152%0.52SS..  trans-68.2144.4167-170.461.3000110.1C154 I177 Q178 T182C154-L180 VanDerWaalsContact SG-CD2 3.6Å; I177-L180 HydrophobicContact CG2-CB 4.31Å; Q178-L180 PolarHBondContact O-N 2.81Å; L180-T182 HydrophobicContact CB-CG2 4.44Å; L180-T182 HydrophobicContact CD2-CG2 4.1Å; L180-T182 HydrophobicContact CG-CG2 4.2Å; L180-T182 PolarHBondContact O-N 2.83Å
181T93.9Very high95.5Very high91 Ų91109 Ų10956%0.55851%0.51SS*.  trans-89.4101.9170.7-57.90000108L186T181-L186 HydrophobicContact CG2-CD1 4.33Å; T181-L186 HydrophobicContact CG2-CD2 3.73Å; T181-L186 HydrophobicContact CG2-CG 3.95Å
182T94.7Very high95.9Very high55 Ų55109.4 Ų109.434%0.33751%0.512SS..  trans-98.4157.7179.157.70000111.3L180 L184 R185 L186L180-T182 HydrophobicContact CB-CG2 4.44Å; L180-T182 HydrophobicContact CD2-CG2 4.1Å; L180-T182 HydrophobicContact CG-CG2 4.2Å; L180-T182 PolarHBondContact O-N 2.83Å; T182-L184 PolarHBondContact O-N 3.02Å; T182-R185 WeakPolarHBondContact O-CA 3.42Å; T182-R185 WeakPolarHBondContact O-CB 3.37Å; T182-R185 PolarHBondContact O-N 2.81Å; T182-R185 PolarHBondContact OG1-N 3.43Å; T182-L186 PolarHBondContact O-N 2.91Å; T182-L186 VanDerWaalsContact O-N 3.07Å
183P96.4Very high96.2Very high108 Ų108110.8 Ų110.870%0.70151%0.511SS*.Hα-helixtrans-52.6-41.9174.6-27.735.2000112.7R185 L186 Q187P183-R185 VanDerWaalsContact C-N 3.31Å; P183-R185 PolarHBondContact O-N 2.97Å; P183-L186 WeakPolarHBondContact O-CB 3.28Å; P183-L186 PolarHBondContact O-N 3.25Å; P183-L186 VanDerWaalsContact O-N 3.12Å; P183-Q187 PolarHBondContact O-N 3.39Å
184L96.6Very high96.4Very high87 Ų87106.6 Ų106.646%0.45550%0.502SS..Hα-helixtrans-59.8-38.1175-177.363.1000112.9T182 Q187 R188T182-L184 PolarHBondContact O-N 3.02Å; L184-Q187 PolarHBondContact O-N 3.39Å; L184-R188 WeakPolarHBondContact O-CB 3.38Å; L184-R188 VanDerWaalsContact O-CG 3.32Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3.2Å
185R96Very high96.6Very high133 Ų133106.5 Ų106.550%0.50250%0.498SS..Hα-helixtrans-68.5-38.4176.6-170.2179.1-176.2-165-3.7111.2T182 P183 K189T182-R185 WeakPolarHBondContact O-CA 3.42Å; T182-R185 WeakPolarHBondContact O-CB 3.37Å; T182-R185 PolarHBondContact O-N 2.81Å; T182-R185 PolarHBondContact OG1-N 3.43Å; P183-R185 VanDerWaalsContact C-N 3.31Å; P183-R185 PolarHBondContact O-N 2.97Å; R185-K189 WeakPolarHBondContact O-CB 3.38Å; R185-K189 PolarHBondContact O-N 3.44Å
186L97.1Very high96.7Very high82 Ų82110.8 Ų110.843%0.42951%0.511SS..Hα-helixtrans-65.6-43.4174.5-64.4175000111T181 T182 P183 K189 R190T181-L186 HydrophobicContact CG2-CD1 4.33Å; T181-L186 HydrophobicContact CG2-CD2 3.73Å; T181-L186 HydrophobicContact CG2-CG 3.95Å; T182-L186 PolarHBondContact O-N 2.91Å; T182-L186 VanDerWaalsContact O-N 3.07Å; P183-L186 WeakPolarHBondContact O-CB 3.28Å; P183-L186 PolarHBondContact O-N 3.25Å; P183-L186 VanDerWaalsContact O-N 3.12Å; L186-K189 WeakPolarHBondContact O-CB 3.41Å; L186-K189 PolarHBondContact O-N 3.2Å; L186-R190 WeakPolarHBondContact O-CG 3.45Å; L186-R190 PolarHBondContact O-N 2.95Å
187Q97.8Very high96.8Very high122 Ų122110.3 Ų110.357%0.5750%0.504SS*.Hα-helixtrans-59.8-48.5174.4-172.2-17126.200111.6P183 L184 K189 R190 H191P183-Q187 PolarHBondContact O-N 3.39Å; L184-Q187 PolarHBondContact O-N 3.39Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.3Å; Q187-R190 WeakPolarHBondContact O-CB 3.3Å; Q187-R190 PolarHBondContact O-N 3.32Å; Q187-R190 VanDerWaalsContact O-N 3.13Å; Q187-H191 WeakPolarHBondContact O-CB 3.32Å; Q187-H191 PolarHBondContact O-N 3.37Å
188R98.1Very high96.9Very high166 Ų166114.5 Ų114.563%0.62652%0.524SS*.Hα-helixtrans-59.4-36.2175.5-74.1176.5179.9-172.9-0.6112.4L184 R192L184-R188 WeakPolarHBondContact O-CB 3.38Å; L184-R188 VanDerWaalsContact O-CG 3.32Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3.2Å; R188-R192 PolarHBondContact O-N 3.27Å
189K98.1Very high97Very high122 Ų122118.3 Ų118.353%0.5353%0.534SS..Hα-helixtrans-66.1-48174-171.9-179.5177.7-172.60110.8R185 L186 Q187 H191 R192 H193R185-K189 WeakPolarHBondContact O-CB 3.38Å; R185-K189 PolarHBondContact O-N 3.44Å; L186-K189 WeakPolarHBondContact O-CB 3.41Å; L186-K189 PolarHBondContact O-N 3.2Å; Q187-K189 VanDerWaalsContact C-N 3.26Å; Q187-K189 PolarHBondContact O-N 3.3Å; K189-H191 PolarHBondContact O-N 2.93Å; K189-R192 PolarHBondContact O-N 3.05Å; K189-H193 PolarHBondContact O-CD2 3.25Å; K189-H193 PolarHBondContact O-N 3.06Å; K189-H193 VanDerWaalsContact O-N 3.13Å
190R98.1Very high97.1Very high191 Ų191114.7 Ų114.772%0.72153%0.527SS*.Hα-helixtrans-57.5-47.8175.7-70.4177.4-174.9173.60.7111.5L186 Q187 R192 H193 A194L186-R190 WeakPolarHBondContact O-CG 3.45Å; L186-R190 PolarHBondContact O-N 2.95Å; Q187-R190 WeakPolarHBondContact O-CB 3.3Å; Q187-R190 PolarHBondContact O-N 3.32Å; Q187-R190 VanDerWaalsContact O-N 3.13Å; R190-R192 PolarHBondContact O-N 2.86Å; R190-H193 WeakPolarHBondContact O-CB 3.42Å; R190-H193 PolarHBondContact O-N 3.02Å; R190-H193 VanDerWaalsContact O-N 3.1Å; R190-A194 PolarHBondContact O-N 3.14Å
191H98Very high97.2Very high126 Ų126117.7 Ų117.758%0.58354%0.539SS*.Hα-helixtrans-58.6-44.5177.417770.5000112.2Q187 K189 H193 A194 V195Q187-H191 WeakPolarHBondContact O-CB 3.32Å; Q187-H191 PolarHBondContact O-N 3.37Å; K189-H191 PolarHBondContact O-N 2.93Å; H191-H193 VanDerWaalsContact C-N 3.29Å; H191-H193 PolarHBondContact O-N 3.3Å; H191-A194 WeakPolarHBondContact O-CB 3.47Å; H191-A194 PolarHBondContact O-N 2.87Å; H191-A194 VanDerWaalsContact O-N 3.11Å; H191-V195 WeakPolarHBondContact O-CG2 3.46Å; H191-V195 PolarHBondContact O-N 2.88Å
192R98.1Very high97.4Very high183 Ų183117 Ų11769%0.69154%0.535SS*.Hα-helixtrans-58.3-41.5175.1-172.3-172-58.9172-1.9112.3R188 K189 R190 K196R188-R192 PolarHBondContact O-N 3.27Å; K189-R192 PolarHBondContact O-N 3.05Å; R190-R192 PolarHBondContact O-N 2.86Å; R192-K196 PolarHBondContact O-N 3.11Å; R192-K196 VanDerWaalsContact O-N 3.14Å
193H97.7Very high97.5Very high93 Ų93123.3 Ų123.343%0.43155%0.553SS.*Hα-helixtrans-67.1-40.4175.6-71.7-68.6000111.7K189 R190 H191 K196 R197K189-H193 PolarHBondContact O-CD2 3.25Å; K189-H193 PolarHBondContact O-N 3.06Å; K189-H193 VanDerWaalsContact O-N 3.13Å; R190-H193 WeakPolarHBondContact O-CB 3.42Å; R190-H193 PolarHBondContact O-N 3.02Å; R190-H193 VanDerWaalsContact O-N 3.1Å; H191-H193 VanDerWaalsContact C-N 3.29Å; H191-H193 PolarHBondContact O-N 3.3Å; H193-K196 PolarHBondContact O-N 3.1Å; H193-R197 WeakPolarHBondContact O-CG 3.46Å; H193-R197 PolarHBondContact O-N 3.33Å
194A97.9Very high97.5Very high52 Ų52126 Ų12643%0.4355%0.549SS..Hα-helixtrans-61.4-47.5176.100000111.9R190 H191 K196 R197 Q198R190-A194 PolarHBondContact O-N 3.14Å; H191-A194 WeakPolarHBondContact O-CB 3.47Å; H191-A194 PolarHBondContact O-N 2.87Å; H191-A194 VanDerWaalsContact O-N 3.11Å; A194-K196 VanDerWaalsContact C-N 3.26Å; A194-K196 PolarHBondContact O-N 3.13Å; A194-R197 WeakPolarHBondContact O-CB 3.49Å; A194-R197 PolarHBondContact O-N 3.06Å; A194-Q198 PolarHBondContact O-N 3.29Å
195V98Very high97.6Very high39 Ų39128 Ų12824%0.23655%0.554CS.*Hα-helixtrans-58.9-38.7175.4172.50000111.4H191 R199H191-V195 WeakPolarHBondContact O-CG2 3.46Å; H191-V195 PolarHBondContact O-N 2.88Å; V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.41Å
196K98Very high97.6Very high139 Ų139124.2 Ų124.260%0.60455%0.551SS**Hα-helixtrans-64.1-42.1175.4-171.8178.8179.4-176.90111.8R192 H193 A194 I200R192-K196 PolarHBondContact O-N 3.11Å; R192-K196 VanDerWaalsContact O-N 3.14Å; H193-K196 PolarHBondContact O-N 3.1Å; A194-K196 VanDerWaalsContact C-N 3.26Å; A194-K196 PolarHBondContact O-N 3.13Å; K196-I200 HydrophobicContact CG-CD1 4.47Å; K196-I200 WeakPolarHBondContact O-CG1 3.47Å; K196-I200 PolarHBondContact O-N 3.3Å
197R97.7Very high97.6Very high172 Ų172126.9 Ų126.965%0.64956%0.561SS**Hα-helixtrans-64.9-47176.5-67.6-179.6-161.2-1772.3111.4H193 A194 R199 I200 E201H193-R197 WeakPolarHBondContact O-CG 3.46Å; H193-R197 PolarHBondContact O-N 3.33Å; A194-R197 WeakPolarHBondContact O-CB 3.49Å; A194-R197 PolarHBondContact O-N 3.06Å; R197-R199 VanDerWaalsContact C-N 3.28Å; R197-R199 PolarHBondContact O-N 2.82Å; R197-I200 WeakPolarHBondContact O-CA 3.49Å; R197-I200 WeakPolarHBondContact O-CB 3.32Å; R197-I200 PolarHBondContact O-N 3.19Å; R197-E201 PolarHBondContact O-N 2.84Å
198Q97.6Very high97.5Very high119 Ų119125.1 Ų125.156%0.55655%0.553SS**Hα-helixtrans-56.6-42.1177.9-169.9-179.41000111.7A194 I200 E201 T202A194-Q198 PolarHBondContact O-N 3.29Å; Q198-I200 VanDerWaalsContact C-N 3.29Å; Q198-I200 PolarHBondContact O-N 2.92Å; Q198-E201 PolarHBondContact O-N 3.34Å; Q198-T202 HydrophobicContact CG-CG2 4.41Å; Q198-T202 WeakPolarHBondContact O-CG2 3.48Å; Q198-T202 PolarHBondContact O-N 2.85Å; Q198-T202 PolarHBondContact O-OG1 3.24Å; Q198-T202 VanDerWaalsContact O-OG1 3.08Å
199R97.7Very high97.4Very high178 Ų178123.5 Ų123.567%0.67255%0.553SS**Hα-helixtrans-62.3-33.5175.1-73.7175.2-175.6-173.7-0.5113.8V195 R197 T202 R203V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.41Å; R197-R199 VanDerWaalsContact C-N 3.28Å; R197-R199 PolarHBondContact O-N 2.82Å; R199-T202 WeakPolarHBondContact CA-OG1 3.47Å; R199-T202 PolarHBondContact O-OG1 3.13Å; R199-R203 VanDerWaalsContact O-CB 3.3Å; R199-R203 WeakPolarHBondContact O-CB 3.39Å; R199-R203 PolarHBondContact O-N 2.88Å
200I97.2Very high97.4Very high102 Ų102125 Ų12552%0.52356%0.556SS.*Hα-helixtrans-73.1-44.7177.2-66.4165.2000109.3K196 R197 Q198 R203 R204K196-I200 HydrophobicContact CG-CD1 4.47Å; K196-I200 WeakPolarHBondContact O-CG1 3.47Å; K196-I200 PolarHBondContact O-N 3.3Å; R197-I200 WeakPolarHBondContact O-CA 3.49Å; R197-I200 WeakPolarHBondContact O-CB 3.32Å; R197-I200 PolarHBondContact O-N 3.19Å; Q198-I200 VanDerWaalsContact C-N 3.29Å; Q198-I200 PolarHBondContact O-N 2.92Å; I200-R203 PolarHBondContact O-N 3.46Å; I200-R204 WeakPolarHBondContact O-CB 3.48Å; I200-R204 PolarHBondContact O-N 2.94Å
201E97.4Very high97.3Very high111 Ų111118.5 Ų118.552%0.51954%0.543SS..Hα-helixtrans-63.3-45.1177.8-72.1170.1-163.700112.2R197 Q198 R203 R204 K205R197-E201 PolarHBondContact O-N 2.84Å; Q198-E201 PolarHBondContact O-N 3.34Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.26Å; E201-R204 PolarHBondContact O-N 3.26Å; E201-K205 WeakPolarHBondContact O-CG 3.4Å; E201-K205 PolarHBondContact O-N 3.45Å
202T97.2Very high97.2Very high77 Ų77119.9 Ų119.947%0.47255%0.547SS..Hα-helixtrans-64.3-40.5177.1550000111.7Q198 R199 K205 A206Q198-T202 HydrophobicContact CG-CG2 4.41Å; Q198-T202 WeakPolarHBondContact O-CG2 3.48Å; Q198-T202 PolarHBondContact O-N 2.85Å; Q198-T202 PolarHBondContact O-OG1 3.24Å; Q198-T202 VanDerWaalsContact O-OG1 3.08Å; R199-T202 WeakPolarHBondContact CA-OG1 3.47Å; R199-T202 PolarHBondContact O-OG1 3.13Å; T202-K205 PolarHBondContact O-N 3.44Å; T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 2.92Å
203R97.2Very high97.1Very high188 Ų188115.3 Ų115.371%0.70954%0.536SS*.Hα-helixtrans-60.3-45.8173.4-179.6-175.3-64.3-174.7-5.1111.5R199 I200 E201 A206 Q207R199-R203 VanDerWaalsContact O-CB 3.3Å; R199-R203 WeakPolarHBondContact O-CB 3.39Å; R199-R203 PolarHBondContact O-N 2.88Å; I200-R203 PolarHBondContact O-N 3.46Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.26Å; R203-A206 PolarHBondContact O-N 3.49Å; R203-Q207 WeakPolarHBondContact O-CB 3.26Å; R203-Q207 PolarHBondContact O-N 2.94Å
204R97.2Very high97Very high164 Ų164113.4 Ų113.462%0.61953%0.529SS*.Hα-helixtrans-61.5-47.7178.8-179.4179.3171172.92.3111.1I200 E201 Q207 E208I200-R204 WeakPolarHBondContact O-CB 3.48Å; I200-R204 PolarHBondContact O-N 2.94Å; E201-R204 PolarHBondContact O-N 3.26Å; R204-Q207 PolarHBondContact O-N 3.42Å; R204-E208 WeakPolarHBondContact CG-OE1 3.32Å; R204-E208 IonicContact CZ-OE1 3.65Å; R204-E208 IonicContact NE-OE1 2.85Å; R204-E208 PolarHBondContact NE-OE1 3.04Å; R204-E208 IonicContact NH2-OE1 3.57Å; R204-E208 WeakPolarHBondContact O-CG 3.29Å; R204-E208 PolarHBondContact O-N 3.36Å
205K97Very high96.9Very high128 Ų128113.7 Ų113.756%0.55753%0.531SS*.Hα-helixtrans-60-46.8176.6-72.4-178.7179.2-1740112E201 T202 Q207 E208 E209E201-K205 WeakPolarHBondContact O-CG 3.4Å; E201-K205 PolarHBondContact O-N 3.45Å; T202-K205 PolarHBondContact O-N 3.44Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 2.92Å; K205-E208 PolarHBondContact O-N 3.48Å; K205-E208 VanDerWaalsContact O-N 3.17Å; K205-E209 WeakPolarHBondContact O-CB 3.39Å; K205-E209 WeakPolarHBondContact O-CG 3.35Å; K205-E209 PolarHBondContact O-N 3.26Å
206A96.3Very high96.9Very high54 Ų54117.3 Ų117.345%0.44655%0.546SS..Hα-helixtrans-61.4-37.3177.400000112.4T202 R203 Y210T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 2.92Å; R203-A206 PolarHBondContact O-N 3.49Å; A206-Y210 VanDerWaalsContact O-CB 3.27Å; A206-Y210 WeakPolarHBondContact O-CB 3.37Å; A206-Y210 PolarHBondContact O-N 2.94Å
207Q96.9Very high96.7Very high138 Ų138118.6 Ų118.665%0.64555%0.547SS*.Hα-helixtrans-67.4-42.4174.8-175.9177.9-5.800111.8R203 R204 K205 A211R203-Q207 WeakPolarHBondContact O-CB 3.26Å; R203-Q207 PolarHBondContact O-N 2.94Å; R204-Q207 PolarHBondContact O-N 3.42Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 2.92Å; Q207-A211 VanDerWaalsContact O-CB 3.29Å; Q207-A211 WeakPolarHBondContact O-CB 3.39Å; Q207-A211 PolarHBondContact O-N 3.35Å
208E96.9Very high96.6Very high85 Ų85119 Ų11940%0.39755%0.548SS..Hα-helixtrans-64.3-42.7176.1-72.3171.1-172.700111.6R204 K205 A211 K212R204-E208 WeakPolarHBondContact CG-OE1 3.32Å; R204-E208 IonicContact CZ-OE1 3.65Å; R204-E208 IonicContact NE-OE1 2.85Å; R204-E208 PolarHBondContact NE-OE1 3.04Å; R204-E208 IonicContact NH2-OE1 3.57Å; R204-E208 WeakPolarHBondContact O-CG 3.29Å; R204-E208 PolarHBondContact O-N 3.36Å; K205-E208 PolarHBondContact O-N 3.48Å; K205-E208 VanDerWaalsContact O-N 3.17Å; E208-A211 PolarHBondContact O-N 3.24Å; E208-K212 WeakPolarHBondContact O-CG 3.27Å; E208-K212 PolarHBondContact O-N 3.44Å
209E96.4Very high96.5Very high133 Ų133120 Ų12062%0.62155%0.551SS**Hα-helixtrans-63.3-46.8175.1-75.4173.2-177.500112K205 A211 K212 L213K205-E209 WeakPolarHBondContact O-CB 3.39Å; K205-E209 WeakPolarHBondContact O-CG 3.35Å; K205-E209 PolarHBondContact O-N 3.26Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.92Å; E209-K212 PolarHBondContact O-N 2.89Å; E209-L213 PolarHBondContact O-N 3.48Å
210Y96.1Very high96.3Very high153 Ų153115.3 Ų115.360%0.654%0.537SS*.Hα-helixtrans-62.8-40.2176.9-175.4-105.7000111.9A206 K212 L213 L214A206-Y210 VanDerWaalsContact O-CB 3.27Å; A206-Y210 WeakPolarHBondContact O-CB 3.37Å; A206-Y210 PolarHBondContact O-N 2.94Å; Y210-K212 PolarHBondContact O-N 2.84Å; Y210-L213 PolarHBondContact O-N 3.17Å; Y210-L214 HydrophobicContact CE1-CD1 3.76Å; Y210-L214 VanDerWaalsContact O-CB 3.26Å; Y210-L214 WeakPolarHBondContact O-CB 3.34Å; Y210-L214 PolarHBondContact O-N 2.93Å
211A96.4Very high96.2Very high54 Ų54113.1 Ų113.145%0.44653%0.533SS..Hα-helixtrans-62.4-4117600000112.2Q207 E208 E209 L214 A215Q207-A211 VanDerWaalsContact O-CB 3.29Å; Q207-A211 WeakPolarHBondContact O-CB 3.39Å; Q207-A211 PolarHBondContact O-N 3.35Å; E208-A211 PolarHBondContact O-N 3.24Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.92Å; A211-L214 PolarHBondContact O-N 2.85Å; A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.13Å
212K96.5Very high96Very high155 Ų155117 Ų11767%0.67454%0.543SS*.Hα-helixtrans-63-47.3174.5-73.9176.1-178.5179.90111.9E208 E209 Y210 L214 A215 Q216E208-K212 WeakPolarHBondContact O-CG 3.27Å; E208-K212 PolarHBondContact O-N 3.44Å; E209-K212 PolarHBondContact O-N 2.89Å; Y210-K212 PolarHBondContact O-N 2.84Å; K212-L214 VanDerWaalsContact C-N 3.3Å; K212-L214 PolarHBondContact O-N 2.85Å; K212-A215 PolarHBondContact O-N 2.87Å; K212-Q216 PolarHBondContact O-N 3.44Å
213L96Very high95.9Very high87 Ų87117.3 Ų117.346%0.45554%0.542SS..Hα-helixtrans-59-44.1177.4-176.969.2000111.2E209 Y210 Q216 R217E209-L213 PolarHBondContact O-N 3.48Å; Y210-L213 PolarHBondContact O-N 3.17Å; L213-Q216 PolarHBondContact O-N 3.09Å; L213-R217 WeakPolarHBondContact O-CG 3.4Å; L213-R217 PolarHBondContact O-N 3.12Å
214L96.3Very high95.7Very high54 Ų54113.5 Ų113.528%0.28353%0.532SS..Hα-helixtrans-67-37.6-179.9-165.9145.8000111.8Y210 A211 K212 R217 R218Y210-L214 HydrophobicContact CE1-CD1 3.76Å; Y210-L214 VanDerWaalsContact O-CB 3.26Å; Y210-L214 WeakPolarHBondContact O-CB 3.34Å; Y210-L214 PolarHBondContact O-N 2.93Å; A211-L214 PolarHBondContact O-N 2.85Å; K212-L214 VanDerWaalsContact C-N 3.3Å; K212-L214 PolarHBondContact O-N 2.85Å; L214-R217 PolarHBondContact O-N 3.08Å; L214-R218 HydrophobicContact CD2-CG 4.24Å; L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 WeakPolarHBondContact O-CG 3.2Å; L214-R218 PolarHBondContact O-N 3.4Å
215A95.9Very high95.4Very high57 Ų57114.2 Ų114.247%0.47154%0.535SS..Hα-helixtrans-63.4-43.2172.700000112.1A211 K212 R218 K219A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.13Å; K212-A215 PolarHBondContact O-N 2.87Å; A215-R218 PolarHBondContact O-N 3.25Å; A215-K219 WeakPolarHBondContact O-CB 3.42Å; A215-K219 PolarHBondContact O-N 3.25Å
216Q96Very high95.1Very high115 Ų115110.2 Ų110.254%0.53753%0.525SS..Hα-helixtrans-62.2-45.9176.1-173.8179.43.600111.8K212 L213 R218 K219 Q220K212-Q216 PolarHBondContact O-N 3.44Å; L213-Q216 PolarHBondContact O-N 3.09Å; Q216-R218 PolarHBondContact O-N 3.1Å; Q216-K219 WeakPolarHBondContact O-CB 3.49Å; Q216-K219 PolarHBondContact O-N 2.9Å; Q216-Q220 WeakPolarHBondContact O-CG 3.49Å; Q216-Q220 PolarHBondContact O-N 3.36Å
217R94.9Very high94.8Very high166 Ų166114.2 Ų114.263%0.62654%0.535SS*.Hα-helixtrans-63.5-40.6177-68.5-69.5-172.6159.42.1112.3L213 L214 K219 Q220 A221L213-R217 WeakPolarHBondContact O-CG 3.4Å; L213-R217 PolarHBondContact O-N 3.12Å; L214-R217 PolarHBondContact O-N 3.08Å; R217-K219 VanDerWaalsContact C-N 3.33Å; R217-Q220 PolarHBondContact O-N 3.37Å; R217-A221 WeakPolarHBondContact O-CB 3.23Å; R217-A221 PolarHBondContact O-N 3.07Å
218R94.8Very high94.4Very high181 Ų181116.5 Ų116.568%0.68354%0.538SS*.Hα-helixtrans-63.5-38.8174.1-78-178.6177.2174.22.6112L214 A215 Q216 R222L214-R218 HydrophobicContact CD2-CG 4.24Å; L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 WeakPolarHBondContact O-CG 3.2Å; L214-R218 PolarHBondContact O-N 3.4Å; A215-R218 PolarHBondContact O-N 3.25Å; Q216-R218 PolarHBondContact O-N 3.1Å; R218-R222 WeakPolarHBondContact O-CB 3.42Å; R218-R222 PolarHBondContact O-N 2.86Å
219K95.8Very high94Very high139 Ų139119.1 Ų119.160%0.60455%0.548SS*.Hα-helixtrans-64.4-50.5175.4-173.9-179.1175.1-173.90111A215 Q216 R217 A221 R222 D223A215-K219 WeakPolarHBondContact O-CB 3.42Å; A215-K219 PolarHBondContact O-N 3.25Å; Q216-K219 WeakPolarHBondContact O-CB 3.49Å; Q216-K219 PolarHBondContact O-N 2.9Å; R217-K219 VanDerWaalsContact C-N 3.33Å; K219-A221 PolarHBondContact O-N 2.91Å; K219-R222 WeakPolarHBondContact O-CA 3.43Å; K219-R222 WeakPolarHBondContact O-CB 3.5Å; K219-R222 PolarHBondContact O-N 3.18Å; K219-D223 VanDerWaalsContact O-CG 3.26Å; K219-D223 PolarHBondContact O-N 3Å
220Q94.4Very high93.6Very high81 Ų81121.7 Ų121.738%0.37955%0.552SS.*Hα-helixtrans-55.7-48.3176-73.2173.7-21.500112.2Q216 R217 R222 D223 E224Q216-Q220 WeakPolarHBondContact O-CG 3.49Å; Q216-Q220 PolarHBondContact O-N 3.36Å; R217-Q220 PolarHBondContact O-N 3.37Å; Q220-R222 VanDerWaalsContact C-N 3.27Å; Q220-R222 PolarHBondContact O-N 3.05Å; Q220-D223 PolarHBondContact O-N 3.32Å; Q220-E224 WeakPolarHBondContact O-CB 3.45Å; Q220-E224 WeakPolarHBondContact O-CG 3.45Å; Q220-E224 PolarHBondContact O-N 3.06Å
221A94.3Very high93Very high55 Ų55118 Ų11846%0.45555%0.549SS..Hα-helixtrans-63-33.2177.300000112.9R217 K219 R225R217-A221 WeakPolarHBondContact O-CB 3.23Å; R217-A221 PolarHBondContact O-N 3.07Å; K219-A221 PolarHBondContact O-N 2.91Å; A221-R225 VanDerWaalsContact O-CB 3.23Å; A221-R225 WeakPolarHBondContact O-CB 3.39Å; A221-R225 PolarHBondContact O-N 3.4Å
222R94.3Very high92.4Very high194 Ų194124.2 Ų124.273%0.73256%0.56SS**Hα-helixtrans-68.7-43.8174.2-176.1-179-179.4179.2-0.3111.1R218 K219 Q220 R225 A226R218-R222 WeakPolarHBondContact O-CB 3.42Å; R218-R222 PolarHBondContact O-N 2.86Å; K219-R222 WeakPolarHBondContact O-CA 3.43Å; K219-R222 WeakPolarHBondContact O-CB 3.5Å; K219-R222 PolarHBondContact O-N 3.18Å; Q220-R222 VanDerWaalsContact C-N 3.27Å; Q220-R222 PolarHBondContact O-N 3.05Å; R222-R225 PolarHBondContact O-N 2.83Å; R222-A226 WeakPolarHBondContact O-CB 3.49Å; R222-A226 PolarHBondContact O-N 2.93Å
223D93.3Very high91.7Very high82 Ų82120.1 Ų120.144%0.43955%0.551SS.*Hα-helixtrans-67.1-46.1-179.7-64.6-18.6000110.4K219 Q220 R225 A226 E227K219-D223 VanDerWaalsContact O-CG 3.26Å; K219-D223 PolarHBondContact O-N 3Å; Q220-D223 PolarHBondContact O-N 3.32Å; D223-R225 VanDerWaalsContact C-N 3.32Å; D223-R225 PolarHBondContact O-N 3.46Å; D223-A226 CarbonylContact O-C 3.59Å; D223-A226 WeakPolarHBondContact O-CA 3.37Å; D223-A226 WeakPolarHBondContact O-CB 3.41Å; D223-A226 PolarHBondContact O-N 3.22Å; D223-A226 VanDerWaalsContact O-N 3.07Å; D223-E227 PolarHBondContact O-N 3.5Å
224E93Very high90.9Very high108 Ų108121.3 Ų121.351%0.50555%0.554SS.*Hα-helixtrans-58.4-41.7172.5-75.7176.9-167.800112.2Q220 A226 E227 R228Q220-E224 WeakPolarHBondContact O-CB 3.45Å; Q220-E224 WeakPolarHBondContact O-CG 3.45Å; Q220-E224 PolarHBondContact O-N 3.06Å; E224-A226 VanDerWaalsContact C-N 3.32Å; E224-A226 PolarHBondContact O-N 2.95Å; E224-E227 PolarHBondContact O-N 3.4Å; E224-R228 WeakPolarHBondContact O-CB 3.46Å; E224-R228 WeakPolarHBondContact O-CG 3.49Å; E224-R228 PolarHBondContact O-N 2.97Å
225R91.4Very high90Very high180 Ų180121.6 Ų121.668%0.67956%0.561SS**Hα-helixtrans-66.5-36176.4-170177.3-169.2-178.83.7111.6A221 R222 D223 K229A221-R225 VanDerWaalsContact O-CB 3.23Å; A221-R225 WeakPolarHBondContact O-CB 3.39Å; A221-R225 PolarHBondContact O-N 3.4Å; R222-R225 PolarHBondContact O-N 2.83Å; D223-R225 VanDerWaalsContact C-N 3.32Å; D223-R225 PolarHBondContact O-N 3.46Å; R225-K229 WeakPolarHBondContact O-CG 3.46Å; R225-K229 PolarHBondContact O-N 3.4Å; R225-K229 VanDerWaalsContact O-N 3.1Å
226A91.7Very high89.1Confident43 Ų43123.7 Ų123.736%0.35556%0.563SS.*Hα-helixtrans-69.5-42.5176.100000111.3R222 D223 E224 K229 R230R222-A226 WeakPolarHBondContact O-CB 3.49Å; R222-A226 PolarHBondContact O-N 2.93Å; D223-A226 CarbonylContact O-C 3.59Å; D223-A226 WeakPolarHBondContact O-CA 3.37Å; D223-A226 WeakPolarHBondContact O-CB 3.41Å; D223-A226 PolarHBondContact O-N 3.22Å; D223-A226 VanDerWaalsContact O-N 3.07Å; E224-A226 VanDerWaalsContact C-N 3.32Å; E224-A226 PolarHBondContact O-N 2.95Å; A226-K229 WeakPolarHBondContact O-CB 3.49Å; A226-K229 PolarHBondContact O-N 2.99Å; A226-R230 WeakPolarHBondContact O-CG 3.42Å; A226-R230 PolarHBondContact O-N 2.94Å
227E90.5Very high88Confident138 Ų138128 Ų12865%0.64558%0.575SS**Hα-helixtrans-61.1-48.4173.1-95-172.9157.100112D223 E224 K229 R230 S231D223-E227 PolarHBondContact O-N 3.5Å; E224-E227 PolarHBondContact O-N 3.4Å; E227-K229 PolarHBondContact O-N 3.1Å; E227-R230 CarbonylContact O-C 3.58Å; E227-R230 WeakPolarHBondContact O-CA 3.33Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 2.96Å; E227-S231 PolarHBondContact O-N 2.89Å; E227-S231 PolarHBondContact O-OG 3.21Å
228R88.4Confident86.9Confident186 Ų186125.4 Ų125.470%0.70257%0.57SS**Hα-helixtrans-57.9-36175-77.2-177.1-177.3179.73.1112.6E224 S231 R232E224-R228 WeakPolarHBondContact O-CB 3.46Å; E224-R228 WeakPolarHBondContact O-CG 3.49Å; E224-R228 PolarHBondContact O-N 2.97Å; R228-S231 WeakPolarHBondContact CA-OG 3.48Å; R228-S231 PolarHBondContact O-OG 3.3Å; R228-S231 VanDerWaalsContact O-OG 3.12Å; R228-R232 WeakPolarHBondContact O-CB 3.44Å; R228-R232 PolarHBondContact O-N 2.99Å; R228-R232 VanDerWaalsContact O-N 3.09Å
229K88.3Confident85.6Confident141 Ų141119.5 Ų119.561%0.61356%0.556SS**Hα-helixtrans-68.2-43.8173.6-80.3-175.2175.1-168.90111.3R225 A226 E227 R232 S233R225-K229 WeakPolarHBondContact O-CG 3.46Å; R225-K229 PolarHBondContact O-N 3.4Å; R225-K229 VanDerWaalsContact O-N 3.1Å; A226-K229 WeakPolarHBondContact O-CB 3.49Å; A226-K229 PolarHBondContact O-N 2.99Å; E227-K229 PolarHBondContact O-N 3.1Å; K229-R232 PolarHBondContact O-N 3.27Å; K229-S233 WeakPolarHBondContact O-CB 3.3Å; K229-S233 PolarHBondContact O-N 3.46Å; K229-S233 PolarHBondContact O-OG 3.29Å; K229-S233 VanDerWaalsContact O-OG 3.13Å
230R86.8Confident84.1Confident187 Ų187119.7 Ų119.771%0.70656%0.557SS**Hα-helixtrans-62.8-47.1177.9-76179.5179.3-179.8-0.5111.9A226 E227 R232 S233 H234A226-R230 WeakPolarHBondContact O-CG 3.42Å; A226-R230 PolarHBondContact O-N 2.94Å; E227-R230 CarbonylContact O-C 3.58Å; E227-R230 WeakPolarHBondContact O-CA 3.33Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 2.96Å; R230-R232 PolarHBondContact O-N 2.94Å; R230-S233 WeakPolarHBondContact CA-OG 3.46Å; R230-S233 PolarHBondContact O-N 3.07Å; R230-S233 PolarHBondContact O-OG 3.42Å; R230-H234 WeakPolarHBondContact O-CB 3.43Å; R230-H234 PolarHBondContact O-N 3.42Å
231S84.9Confident82.6Confident76 Ų76117.5 Ų117.553%0.53156%0.556SS.*Hα-helixtrans-63.1-42.2177.464.20000111.6E227 R228 S233 H234 S235E227-S231 PolarHBondContact O-N 2.89Å; E227-S231 PolarHBondContact O-OG 3.21Å; R228-S231 WeakPolarHBondContact CA-OG 3.48Å; R228-S231 PolarHBondContact O-OG 3.3Å; R228-S231 VanDerWaalsContact O-OG 3.12Å; S231-S233 PolarHBondContact O-N 3.31Å; S231-H234 PolarHBondContact O-N 3.01Å; S231-S235 PolarHBondContact O-N 2.77Å; S231-S235 PolarHBondContact O-OG 3.36Å
232R83.6Confident80.9Confident184 Ų184121.8 Ų121.869%0.69457%0.567SS**Hα-helixtrans-64.7-37.7174.8-163.3176-174.4176.71.9112.6R228 K229 R230 S235 L236R228-R232 WeakPolarHBondContact O-CB 3.44Å; R228-R232 PolarHBondContact O-N 2.99Å; R228-R232 VanDerWaalsContact O-N 3.09Å; K229-R232 PolarHBondContact O-N 3.27Å; R230-R232 PolarHBondContact O-N 2.94Å; R232-S235 PolarHBondContact O-OG 3.2Å; R232-S235 VanDerWaalsContact O-OG 3.05Å; R232-L236 HydrophobicContact CG-CD1 4.42Å; R232-L236 WeakPolarHBondContact O-CB 3.46Å; R232-L236 WeakPolarHBondContact O-CD1 3.43Å; R232-L236 PolarHBondContact O-N 2.93Å; R232-L236 VanDerWaalsContact O-N 3.08Å
233S82Confident79.2Confident69 Ų69116.4 Ų116.448%0.48356%0.556SS.*Hα-helixtrans-69.5-34.617456.70000112.6K229 R230 S231 R237K229-S233 WeakPolarHBondContact O-CB 3.3Å; K229-S233 PolarHBondContact O-N 3.46Å; K229-S233 PolarHBondContact O-OG 3.29Å; K229-S233 VanDerWaalsContact O-OG 3.13Å; R230-S233 WeakPolarHBondContact CA-OG 3.46Å; R230-S233 PolarHBondContact O-N 3.07Å; R230-S233 PolarHBondContact O-OG 3.42Å; S231-S233 PolarHBondContact O-N 3.31Å; S233-R237 WeakPolarHBondContact O-CB 3.47Å; S233-R237 PolarHBondContact O-N 2.91Å
234H79.2Confident77.5Confident111 Ų111117.9 Ų117.951%0.51456%0.564SS.*Hα-helixtrans-66.2-48175.9-167-82.4000111R230 S231 L236 R237 E238R230-H234 WeakPolarHBondContact O-CB 3.43Å; R230-H234 PolarHBondContact O-N 3.42Å; S231-H234 PolarHBondContact O-N 3.01Å; H234-L236 VanDerWaalsContact C-N 3.35Å; H234-L236 PolarHBondContact O-N 3.46Å; H234-R237 WeakPolarHBondContact O-CB 3.33Å; H234-R237 PolarHBondContact O-N 2.9Å; H234-E238 IonicContact CE1-OE1 3.23Å; H234-E238 PolarHBondContact CE1-OE1 3.45Å; H234-E238 VanDerWaalsContact CE1-OE1 3.23Å; H234-E238 IonicContact CE1-OE2 3.66Å; H234-E238 IonicContact ND1-OE1 3.63Å; H234-E238 IonicContact ND1-OE2 3.19Å; H234-E238 PolarHBondContact ND1-OE2 3.42Å; H234-E238 PolarHBondContact O-N 3.05Å
235S77.6Confident75.8Confident61 Ų61121.2 Ų121.243%0.42758%0.577SS.*Hα-helixtrans-64.1-37.9178.265.30000112.7S231 R232 R237 E238 S239S231-S235 PolarHBondContact O-N 2.77Å; S231-S235 PolarHBondContact O-OG 3.36Å; R232-S235 PolarHBondContact O-OG 3.2Å; R232-S235 VanDerWaalsContact O-OG 3.05Å; S235-R237 VanDerWaalsContact C-N 3.3Å; S235-R237 PolarHBondContact O-N 3.43Å; S235-E238 PolarHBondContact O-N 3.05Å; S235-S239 WeakPolarHBondContact O-CB 3.48Å; S235-S239 PolarHBondContact O-N 3.08Å; S235-S239 PolarHBondContact O-OG 3.36Å
236L75.5Confident74.1Confident100 Ų100117.1 Ų117.152%0.52458%0.576SS.*Hα-helixtrans-60.7-40.1171.2-97.1150.1000111.9R232 H234 S239 K240R232-L236 HydrophobicContact CG-CD1 4.42Å; R232-L236 WeakPolarHBondContact O-CB 3.46Å; R232-L236 WeakPolarHBondContact O-CD1 3.43Å; R232-L236 PolarHBondContact O-N 2.93Å; R232-L236 VanDerWaalsContact O-N 3.08Å; H234-L236 VanDerWaalsContact C-N 3.35Å; H234-L236 PolarHBondContact O-N 3.46Å; L236-S239 WeakPolarHBondContact CA-OG 3.49Å; L236-S239 PolarHBondContact O-N 3.05Å; L236-S239 PolarHBondContact O-OG 2.92Å; L236-K240 PolarHBondContact O-N 3.22Å
237R74Confident72.2Confident205 Ų205119.2 Ų119.277%0.77459%0.592SS**Hα-helixtrans-70.5-39.5179.4-158177.7-175.3-172.40.5112.1S233 H234 S235 K240 G241S233-R237 WeakPolarHBondContact O-CB 3.47Å; S233-R237 PolarHBondContact O-N 2.91Å; H234-R237 WeakPolarHBondContact O-CB 3.33Å; H234-R237 PolarHBondContact O-N 2.9Å; S235-R237 VanDerWaalsContact C-N 3.3Å; S235-R237 PolarHBondContact O-N 3.43Å; R237-K240 PolarHBondContact O-N 2.86Å; R237-G241 PolarHBondContact O-N 3.23Å
238E70.6Confident69.9Low113 Ų113120.3 Ų120.353%0.52862%0.616SS.*Hα-helixtrans-63.7-42.9172.3-76.8175.4143.200111.7H234 S235 K240 G241 Q242H234-E238 IonicContact CE1-OE1 3.23Å; H234-E238 PolarHBondContact CE1-OE1 3.45Å; H234-E238 VanDerWaalsContact CE1-OE1 3.23Å; H234-E238 IonicContact CE1-OE2 3.66Å; H234-E238 IonicContact ND1-OE1 3.63Å; H234-E238 IonicContact ND1-OE2 3.19Å; H234-E238 PolarHBondContact ND1-OE2 3.42Å; H234-E238 PolarHBondContact O-N 3.05Å; S235-E238 PolarHBondContact O-N 3.05Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 2.71Å; E238-G241 PolarHBondContact O-N 3.48Å; E238-Q242 PolarHBondContact O-N 3.29Å
239S68.3Low69Low57 Ų57117.1 Ų117.140%0.39961%0.611SS.*Hα-helixtrans-63.8-36.5176.771.50000112.9S235 L236 T243S235-S239 WeakPolarHBondContact O-CB 3.48Å; S235-S239 PolarHBondContact O-N 3.08Å; S235-S239 PolarHBondContact O-OG 3.36Å; L236-S239 WeakPolarHBondContact CA-OG 3.49Å; L236-S239 PolarHBondContact O-N 3.05Å; L236-S239 PolarHBondContact O-OG 2.92Å; S239-T243 PolarHBondContact O-N 2.8Å; S239-T243 VanDerWaalsContact O-N 3.07Å; S239-T243 PolarHBondContact O-OG1 3.45Å
240K64.5Low67.9Low142 Ų142115.8 Ų115.862%0.61761%0.611SS**Hα-helixtrans-66.8-44.3171.7-89.4-170.6169.5-168.90112L236 R237 E238 Q242 T243 D244L236-K240 PolarHBondContact O-N 3.22Å; R237-K240 PolarHBondContact O-N 2.86Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 2.71Å; K240-Q242 VanDerWaalsContact C-N 3.26Å; K240-Q242 PolarHBondContact O-N 3.48Å; K240-T243 VanDerWaalsContact CA-OG1 3.3Å; K240-T243 WeakPolarHBondContact CA-OG1 3.4Å; K240-T243 PolarHBondContact O-N 3.02Å; K240-T243 PolarHBondContact O-OG1 2.81Å; K240-D244 PolarHBondContact O-N 3.17Å
241G62.6Low66.9Low35 Ų35111.8 Ų111.836%0.36161%0.606SS.*Hα-helixtrans-62.7-31.2176.800000113.8R237 E238 K245R237-G241 PolarHBondContact O-N 3.23Å; E238-G241 PolarHBondContact O-N 3.48Å; G241-K245 WeakPolarHBondContact O-CB 3.4Å; G241-K245 WeakPolarHBondContact O-CG 3.49Å; G241-K245 PolarHBondContact O-N 3.47Å
242Q59.3Low65.8Low146 Ų146113.9 Ų113.968%0.68261%0.61SS**Hα-helixtrans-75.7-36.6173.6-95.4-179.6-13.600113.3E238 K240 K245 S246E238-Q242 PolarHBondContact O-N 3.29Å; K240-Q242 VanDerWaalsContact C-N 3.26Å; K240-Q242 PolarHBondContact O-N 3.48Å; Q242-K245 PolarHBondContact O-N 3.44Å; Q242-S246 PolarHBondContact O-N 3.28Å; Q242-S246 PolarHBondContact O-OG 3.19Å
243T58.5Low64.7Low80 Ų80109.6 Ų109.649%0.49161%0.605SS.*Hα-helixtrans-69.3-38.5176.3400000111.6S239 K240 K245 S246 A247S239-T243 PolarHBondContact O-N 2.8Å; S239-T243 VanDerWaalsContact O-N 3.07Å; S239-T243 PolarHBondContact O-OG1 3.45Å; K240-T243 VanDerWaalsContact CA-OG1 3.3Å; K240-T243 WeakPolarHBondContact CA-OG1 3.4Å; K240-T243 PolarHBondContact O-N 3.02Å; K240-T243 PolarHBondContact O-OG1 2.81Å; T243-K245 VanDerWaalsContact C-N 3.34Å; T243-K245 PolarHBondContact O-N 2.89Å; T243-S246 WeakPolarHBondContact CA-OG 3.49Å; T243-S246 PolarHBondContact O-N 2.83Å; T243-S246 PolarHBondContact O-OG 3.44Å; T243-S246 VanDerWaalsContact O-OG 3.1Å; T243-A247 PolarHBondContact O-N 3.5Å
244D57.9Low63.6Low114 Ų114112.3 Ų112.361%0.6161%0.613SS**Hα-helixtrans-67.5-34.4174.9-69.7-24.6000112.3K240 S246 A247K240-D244 PolarHBondContact O-N 3.17Å; D244-S246 VanDerWaalsContact C-N 3.32Å; D244-S246 PolarHBondContact O-N 2.93Å; D244-A247 PolarHBondContact O-N 3.23Å
245K56.6Low62.5Low178 Ų178112.4 Ų112.477%0.77462%0.62SS**Hα-helixtrans-73.6-18.2175.4-81.5-172.9179.1-174.40114.8G241 Q242 T243G241-K245 WeakPolarHBondContact O-CB 3.4Å; G241-K245 WeakPolarHBondContact O-CG 3.49Å; G241-K245 PolarHBondContact O-N 3.47Å; Q242-K245 PolarHBondContact O-N 3.44Å; T243-K245 VanDerWaalsContact C-N 3.34Å; T243-K245 PolarHBondContact O-N 2.89Å
246S55Low61.3Low94 Ų94116.3 Ų116.366%0.65764%0.635SS**Hα-helixtrans-95.9-5.7176.641.30000113Q242 T243 D244Q242-S246 PolarHBondContact O-N 3.28Å; Q242-S246 PolarHBondContact O-OG 3.19Å; T243-S246 WeakPolarHBondContact CA-OG 3.49Å; T243-S246 PolarHBondContact O-N 2.83Å; T243-S246 PolarHBondContact O-OG 3.44Å; T243-S246 VanDerWaalsContact O-OG 3.1Å; D244-S246 VanDerWaalsContact C-N 3.32Å; D244-S246 PolarHBondContact O-N 2.93Å
247A52.1Low60.1Low86 Ų86117.7 Ų117.771%0.71165%0.645SS**  trans-102.25.3176.400000113.8T243 D244T243-A247 PolarHBondContact O-N 3.5Å; D244-A247 PolarHBondContact O-N 3.23Å
248S42Very low58.8Low162 Ų162109.7 Ų109.7100%1.13363%0.633SS**  trans-111.30168.7-59.10000109.8

Retrieved 248 of 248 residues in 81.9 ms (Link to these results)

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