A0A060ILJ5_HUMAN Loading...

RAET1E

Binds and activates the KLRK1/NKG2D receptor, mediating natural killer cell cytotoxicity.

AlphaFold DB , UniProt , Accession A0A060ILJ5, Species HUMAN (Homo sapiens, Human), Gene RAET1E, Length 177 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
1H92.5Very high95.8Very high93 Ų9326.8 Ų26.843%0.43114%0.143SC..  0155.20-67.8-63.6000111N27 Q97 H98 L163 L167 E171H1-N27 WeakPolarHBondContact CA-OD1 3.37Å; H1-N27 WeakPolarHBondContact CB-OD1 3.48Å; H1-N27 PolarHBondContact ND1-ND2 3.24Å; H1-N27 PolarHBondContact ND1-OD1 3.27Å; H1-Q97 WeakPolarHBondContact O-CA 3.41Å; H1-H98 PolarHBondContact N-O 2.92Å; H1-H98 PolarHBondContact O-N 2.86Å; H1-L163 HydrophobicContact CB-CD1 4.31Å; H1-L167 HydrophobicContact CB-CD1 3.58Å; H1-L167 HydrophobicContact CB-CD2 3.62Å; H1-L167 HydrophobicContact CB-CG 4.18Å; H1-E171 IonicContact NE2-OE1 3.97Å
2S95.5Very high95.1Very high25 Ų2534.3 Ų34.318%0.17518%0.182CC..EExtended strand (participates in β ladder)trans-141.6147.1-177.764.50000113.2N27 C96S2-N27 PolarHBondContact N-OD1 2.73Å; S2-N27 PolarHBondContact O-N 2.86Å; S2-C96 CarbonylContact C-O 3.48Å; S2-C96 VanDerWaalsContact CA-O 3.24Å; S2-C96 WeakPolarHBondContact CA-O 3.14Å; S2-C96 WeakPolarHBondContact CB-O 3.41Å
3L96.4Very high94.4Very high0 Ų034.4 Ų34.40%019%0.187CC..EExtended strand (participates in β ladder)trans-114.7129.9170-163.464.8000108.7F5 V24 F25 L26 F31 C96 W162 L163 F166L3-F5 HydrophobicContact CB-CE2 4.31Å; L3-F5 HydrophobicContact CD2-CE2 3.43Å; L3-F5 VanDerWaalsContact CD2-CE2 3.43Å; L3-F5 HydrophobicContact CD2-CZ 3.6Å; L3-F5 HydrophobicContact CG-CD2 4.26Å; L3-F5 HydrophobicContact CG-CE2 3.47Å; L3-F5 VanDerWaalsContact CG-CE2 3.47Å; L3-F5 HydrophobicContact CG-CZ 3.99Å; L3-V24 HydrophobicContact CD1-CG1 3.84Å; L3-V24 HydrophobicContact CG-CG1 4.19Å; L3-F25 WeakPolarHBondContact CA-O 3.47Å; L3-L26 HydrophobicContact CD1-CB 4.45Å; L3-L26 HydrophobicContact CD1-CD1 4.28Å; L3-F31 HydrophobicContact CD1-CE1 3.79Å; L3-F31 HydrophobicContact CD1-CZ 3.96Å; L3-C96 PolarHBondContact N-O 2.89Å; L3-C96 PolarHBondContact O-N 2.85Å; L3-W162 HydrophobicContact CD2-CB 3.89Å; L3-L163 HydrophobicContact CB-CB 4.17Å; L3-L163 HydrophobicContact CB-CD1 4.08Å; L3-L163 HydrophobicContact CB-CG 4.49Å; L3-L163 HydrophobicContact CD2-CB 4.4Å; L3-F166 HydrophobicContact CD1-CD2 4.1Å; L3-F166 HydrophobicContact CD2-CD2 4.19Å; L3-F166 HydrophobicContact CD2-CE2 4.25Å
4C97.6Very high93.9Very high15 Ų1545.4 Ų45.410%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-129.4136.6-177.7-174.80000110.4V24 F25 E93 M94 F95C4-V24 CarbonylContact O-C 3.55Å; C4-V24 VanDerWaalsContact O-CA 3.3Å; C4-V24 WeakPolarHBondContact O-CA 3.31Å; C4-F25 HydrophobicContact CB-CB 4.34Å; C4-F25 PolarHBondContact N-O 3.23Å; C4-F25 PolarHBondContact O-N 2.99Å; C4-E93 VanDerWaalsContact SG-CG 3.56Å; C4-M94 CarbonylContact C-O 3.6Å; C4-M94 WeakPolarHBondContact CA-O 3.31Å; C4-F95 HydrophobicContact CB-CD2 4.45Å
5F98.3Very high93.2Very high1 Ų151.5 Ų51.50%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-124.3116.2-177.4-65.3-110.2000109.4L3 F7 Q23 V24 L60 L64 E93 M94 W162L3-F5 HydrophobicContact CB-CE2 4.31Å; L3-F5 HydrophobicContact CD2-CE2 3.43Å; L3-F5 VanDerWaalsContact CD2-CE2 3.43Å; L3-F5 HydrophobicContact CD2-CZ 3.6Å; L3-F5 HydrophobicContact CG-CD2 4.26Å; L3-F5 HydrophobicContact CG-CE2 3.47Å; L3-F5 VanDerWaalsContact CG-CE2 3.47Å; L3-F5 HydrophobicContact CG-CZ 3.99Å; F5-F7 HydrophobicContact CB-CD2 4.29Å; F5-F7 HydrophobicContact CB-CE2 3.7Å; F5-Q23 WeakPolarHBondContact CA-O 3.42Å; F5-V24 HydrophobicContact CD1-CB 4.23Å; F5-V24 HydrophobicContact CD1-CG1 3.89Å; F5-V24 HydrophobicContact CD1-CG2 3.32Å; F5-V24 HydrophobicContact CD2-CG1 4.26Å; F5-V24 HydrophobicContact CE1-CB 4.32Å; F5-V24 HydrophobicContact CE1-CG1 3.69Å; F5-V24 HydrophobicContact CE1-CG2 3.58Å; F5-V24 HydrophobicContact CE2-CG1 4.13Å; F5-V24 HydrophobicContact CG-CG1 4.16Å; F5-V24 HydrophobicContact CG-CG2 4.06Å; F5-V24 HydrophobicContact CZ-CG1 3.82Å; F5-L60 HydrophobicContact CE1-CD1 3.67Å; F5-L60 HydrophobicContact CZ-CD1 3.97Å; F5-L64 HydrophobicContact CD1-CD2 3.82Å; F5-L64 HydrophobicContact CE1-CD2 4.07Å; F5-E93 CarbonylContact O-C 3.56Å; F5-E93 VanDerWaalsContact O-CA 3.32Å; F5-E93 WeakPolarHBondContact O-CA 3.21Å; F5-M94 HydrophobicContact CB-CB 4.26Å; F5-M94 HydrophobicContact CB-CE 3.73Å; F5-M94 HydrophobicContact CD1-CE 3.86Å; F5-M94 HydrophobicContact CD2-CE 3.17Å; F5-M94 HydrophobicContact CE1-CE 4.24Å; F5-M94 HydrophobicContact CE2-CE 3.56Å; F5-M94 HydrophobicContact CG-CE 3.32Å; F5-M94 HydrophobicContact CZ-CE 4.1Å; F5-M94 PolarHBondContact N-O 3Å; F5-M94 PolarHBondContact O-N 3.04Å; F5-W162 HydrophobicContact CE1-CE3 4.49Å; F5-W162 HydrophobicContact CE1-CZ3 4.46Å; F5-W162 HydrophobicContact CE2-CE3 4.42Å; F5-W162 AromaticContact CZ-CE3 3.71Å; F5-W162 HydrophobicContact CZ-CE3 3.71Å; F5-W162 AromaticContact CZ-CZ3 3.99Å; F5-W162 HydrophobicContact CZ-CZ3 3.99Å
6N98.3Very high92.6Very high49 Ų4951.8 Ų51.826%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-106.8106.1178.8-71.2-16000109.6A22 Q23 F25 V92 E93N6-A22 CarbonylContact O-C 3.51Å; N6-A22 VanDerWaalsContact O-CA 3.24Å; N6-A22 WeakPolarHBondContact O-CA 3.37Å; N6-Q23 HydrophobicContact CB-CB 4.42Å; N6-Q23 PolarHBondContact N-O 2.88Å; N6-Q23 PolarHBondContact O-N 3.44Å; N6-F25 HydrophobicContact CB-CE2 4.3Å; N6-F25 WeakPolarHBondContact ND2-CE2 3.25Å; N6-V92 CarbonylContact C-O 3.54Å; N6-V92 WeakPolarHBondContact CA-O 3.45Å; N6-E93 WeakPolarHBondContact OD1-CG 3.5Å
7F98.3Very high92.4Very high3 Ų354.3 Ų54.31%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-92.9142.9173.4-64.3-95.2000110.5F5 I9 E21 A22 L64 V67 L71 Q91 V92F5-F7 HydrophobicContact CB-CD2 4.29Å; F5-F7 HydrophobicContact CB-CE2 3.7Å; F7-I9 HydrophobicContact CB-CD1 4.27Å; F7-E21 CarbonylContact C-O 3.58Å; F7-E21 WeakPolarHBondContact CA-O 3.5Å; F7-A22 HydrophobicContact CD1-CB 3.6Å; F7-A22 HydrophobicContact CE1-CB 3.7Å; F7-A22 HydrophobicContact CG-CB 4.2Å; F7-A22 HydrophobicContact CZ-CB 4.37Å; F7-L64 HydrophobicContact CE1-CD2 3.8Å; F7-L64 HydrophobicContact CZ-CD2 3.56Å; F7-V67 HydrophobicContact CD1-CG1 4.47Å; F7-V67 HydrophobicContact CE1-CB 4.2Å; F7-V67 HydrophobicContact CE1-CG1 3.84Å; F7-V67 HydrophobicContact CE2-CG1 3.94Å; F7-V67 HydrophobicContact CZ-CB 4.04Å; F7-V67 HydrophobicContact CZ-CG1 3.53Å; F7-L71 HydrophobicContact CB-CD1 3.92Å; F7-L71 HydrophobicContact CD1-CD1 4.2Å; F7-L71 HydrophobicContact CD2-CD1 4.14Å; F7-L71 HydrophobicContact CG-CD1 3.84Å; F7-Q91 CarbonylContact O-C 3.55Å; F7-Q91 VanDerWaalsContact O-CA 3.27Å; F7-Q91 WeakPolarHBondContact O-CA 3.47Å; F7-V92 HydrophobicContact CB-CB 4.22Å; F7-V92 PolarHBondContact N-O 2.82Å; F7-V92 PolarHBondContact O-N 2.84Å
8T97.4Very high92.5Very high44 Ų4452.6 Ų52.627%0.2729%0.289SS..EExtended strand (participates in β ladder)trans-126.3115.3165.7-63.30000108.3C20 E21 Q91T8-C20 WeakPolarHBondContact O-CA 3.47Å; T8-E21 PolarHBondContact N-O 3.27Å; T8-E21 PolarHBondContact O-N 3.45Å; T8-Q91 HydrophobicContact CG2-CG 4.4Å
9I96.3Very high92.5Very high0 Ų052.2 Ų52.20%028%0.283CS..EExtended strand (participates in β ladder)trans-114134.7-176.5-46.8-61.6000109.2F7 W19 C20 L71 R72 L75 T89 L90F7-I9 HydrophobicContact CB-CD1 4.27Å; I9-W19 CarbonylContact C-O 3.57Å; I9-W19 WeakPolarHBondContact CA-O 3.22Å; I9-C20 HydrophobicContact CD1-CB 3.56Å; I9-C20 WeakPolarHBondContact CD1-SG 3.5Å; I9-L71 HydrophobicContact CD1-CB 4.28Å; I9-L71 HydrophobicContact CD1-CD1 4.46Å; I9-L71 HydrophobicContact CG1-CB 3.89Å; I9-L71 HydrophobicContact CG1-CD1 4.32Å; I9-R72 HydrophobicContact CG2-CB 3.72Å; I9-R72 HydrophobicContact CG2-CG 4.02Å; I9-L75 HydrophobicContact CG2-CD2 4.34Å; I9-T89 CarbonylContact O-C 3.52Å; I9-T89 VanDerWaalsContact O-CA 3.29Å; I9-T89 WeakPolarHBondContact O-CA 3.02Å; I9-L90 HydrophobicContact CB-CB 4.28Å; I9-L90 PolarHBondContact N-O 2.89Å; I9-L90 PolarHBondContact O-N 3Å
10K93.6Very high92.7Very high52 Ų5249.6 Ų49.623%0.22627%0.269CS..EExtended strand (participates in β ladder)trans-111.5133.9176.1-59.8170-170.21460108.9L12 P18 W19 E21 T89K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 WeakPolarHBondContact CB-O 3.45Å; K10-L12 PolarHBondContact O-N 3.32Å; K10-P18 PolarHBondContact NZ-O 3.12Å; K10-W19 PolarHBondContact N-O 3.12Å; K10-E21 IonicContact NZ-OE2 2.87Å; K10-E21 PolarHBondContact NZ-OE2 2.99Å; K10-T89 HydrophobicContact CG-CG2 4.38Å
11S89.6Confident92.9Very high13 Ų1350.9 Ų50.99%0.09127%0.273CS..SBendtrans-61.8-40.3174.566.60000110.8R72 S88S11-R72 PolarHBondContact O-NH2 3.29Å; S11-S88 PolarHBondContact N-O 2.74Å; S11-S88 PolarHBondContact OG-N 3.37Å; S11-S88 PolarHBondContact OG-O 3.39Å
12L86.9Confident93.2Very high117 Ų11746.6 Ų46.661%0.61325%0.253SS*.SBendtrans-126.5137.2178.6-168.172.7000110.3K10 P87K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 WeakPolarHBondContact CB-O 3.45Å; K10-L12 PolarHBondContact O-N 3.32Å; L12-P87 HydrophobicContact CB-CB 4.26Å
13S86.4Confident93.3Very high35 Ų3549 Ų4925%0.24526%0.262CS..  trans-130.3151.4170.469.60000110.4Q17S13-Q17 WeakPolarHBondContact CB-O 3.31Å; S13-Q17 PolarHBondContact OG-O 3.26Å
14R87.2Confident93.3Very high189 Ų18949 Ų4971%0.71326%0.262SS*.  trans-74.7156.7172.1-62.9-177.5-179.6-164.50.4109.8G16 Q17R14-G16 PolarHBondContact O-N 3.22Å; R14-Q17 HydrophobicContact CB-CG 4.27Å; R14-Q17 WeakPolarHBondContact O-CB 3.37Å; R14-Q17 PolarHBondContact O-N 2.89Å
15P83.9Confident93.3Very high136 Ų13650 Ų5088%0.88326%0.264SS*.THydrogen-bonded Turntrans-52.3133.6169.6-24.734.4000111Q17P15-Q17 VanDerWaalsContact C-N 3.27Å; P15-Q17 PolarHBondContact O-N 2.78Å
16G84.1Confident93.1Very high56 Ų5650 Ų5058%0.57726%0.264SS*.THydrogen-bonded Turntrans74.110.2-176.800000115.1R14R14-G16 PolarHBondContact O-N 3.22Å
17Q89.1Confident92.8Very high95 Ų9549.6 Ų49.644%0.44426%0.262SS..SBendtrans-114.3133.1170.1-67.5-170.4-32.300110.6S13 R14 P15 W19S13-Q17 WeakPolarHBondContact CB-O 3.31Å; S13-Q17 PolarHBondContact OG-O 3.26Å; R14-Q17 HydrophobicContact CB-CG 4.27Å; R14-Q17 WeakPolarHBondContact O-CB 3.37Å; R14-Q17 PolarHBondContact O-N 2.89Å; P15-Q17 VanDerWaalsContact C-N 3.27Å; P15-Q17 PolarHBondContact O-N 2.78Å; Q17-W19 PolarHBondContact O-N 3.22Å
18P92.9Very high92.5Very high23 Ų2358.4 Ų58.415%0.14930%0.301CS..  trans-65.2134.5177.627.7-34.3000110.3K10 E21 N35 S36 D37K10-P18 PolarHBondContact NZ-O 3.12Å; P18-E21 HydrophobicContact CB-CG 3.93Å; P18-E21 HydrophobicContact CG-CG 3.66Å; P18-N35 HydrophobicContact CB-CB 4.01Å; P18-N35 HydrophobicContact CG-CB 4.28Å; P18-S36 WeakPolarHBondContact CA-OG 3.49Å; P18-D37 HydrophobicContact CB-CB 4.19Å
19W93.8Very high92.3Very high46 Ų4659.9 Ų59.917%0.17431%0.307CS..SBendtrans-86.3-19.8171.455.6-97000111.6I9 K10 Q17 S36 G68 R69 R72I9-W19 CarbonylContact C-O 3.57Å; I9-W19 WeakPolarHBondContact CA-O 3.22Å; K10-W19 PolarHBondContact N-O 3.12Å; Q17-W19 PolarHBondContact O-N 3.22Å; W19-S36 VanDerWaalsContact CE2-CB 3.47Å; W19-S36 PolarHBondContact N-OG 3.42Å; W19-S36 PolarHBondContact NE1-OG 3.08Å; W19-G68 VanDerWaalsContact CZ3-C 3.48Å; W19-G68 WeakPolarHBondContact CZ3-O 3.37Å; W19-R69 HydrophobicContact CH2-CB 4.38Å; W19-R69 HydrophobicContact CH2-CG 3.65Å; W19-R69 HydrophobicContact CZ2-CG 4.14Å; W19-R72 VanDerWaalsContact CD2-NH1 3.28Å; W19-R72 HydrophobicContact CE3-CB 4.33Å; W19-R72 HydrophobicContact CE3-CG 4.43Å; W19-R72 HydrophobicContact CZ3-CB 4.1Å
20C96.1Very high92.3Very high0 Ų062.8 Ų62.80%032%0.322CS..EExtended strand (participates in β ladder)trans-132130.8171.4168.80000110T8 I9 S36T8-C20 WeakPolarHBondContact O-CA 3.47Å; I9-C20 HydrophobicContact CD1-CB 3.56Å; I9-C20 WeakPolarHBondContact CD1-SG 3.5Å; C20-S36 PolarHBondContact N-OG 2.92Å; C20-S36 WeakPolarHBondContact O-CB 3.25Å; C20-S36 PolarHBondContact O-N 2.88Å; C20-S36 PolarHBondContact O-OG 3.01Å
21E97Very high92.4Very high77 Ų7760.5 Ų60.536%0.3631%0.312SS..EExtended strand (participates in β ladder)trans-125.3137.1172-61.7174.579.700107.3F7 T8 K10 P18 Y34F7-E21 CarbonylContact C-O 3.58Å; F7-E21 WeakPolarHBondContact CA-O 3.5Å; T8-E21 PolarHBondContact N-O 3.27Å; T8-E21 PolarHBondContact O-N 3.45Å; K10-E21 IonicContact NZ-OE2 2.87Å; K10-E21 PolarHBondContact NZ-OE2 2.99Å; P18-E21 HydrophobicContact CB-CG 3.93Å; P18-E21 HydrophobicContact CG-CG 3.66Å; E21-Y34 WeakPolarHBondContact CA-O 3.38Å
22A97.8Very high92.6Very high2 Ų259.9 Ų59.92%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-131.8143.3175.200000111.8N6 F7 Q33 Y34 L64N6-A22 CarbonylContact O-C 3.51Å; N6-A22 VanDerWaalsContact O-CA 3.24Å; N6-A22 WeakPolarHBondContact O-CA 3.37Å; F7-A22 HydrophobicContact CD1-CB 3.6Å; F7-A22 HydrophobicContact CE1-CB 3.7Å; F7-A22 HydrophobicContact CG-CB 4.2Å; F7-A22 HydrophobicContact CZ-CB 4.37Å; A22-Q33 CarbonylContact O-C 3.58Å; A22-Q33 WeakPolarHBondContact O-CA 3.29Å; A22-Y34 HydrophobicContact CB-CD1 4.15Å; A22-Y34 PolarHBondContact N-O 2.87Å; A22-Y34 PolarHBondContact O-N 3.08Å; A22-L64 HydrophobicContact CB-CD2 4.18Å
23Q97.8Very high93.1Very high76 Ų7657.3 Ų57.336%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-123.9135174.7-65.3-173.4-18.600109.2F5 N6 F25 L30 Q33F5-Q23 WeakPolarHBondContact CA-O 3.42Å; N6-Q23 HydrophobicContact CB-CB 4.42Å; N6-Q23 PolarHBondContact N-O 2.88Å; N6-Q23 PolarHBondContact O-N 3.44Å; Q23-F25 HydrophobicContact CB-CD2 4.5Å; Q23-F25 HydrophobicContact CB-CE2 3.56Å; Q23-F25 HydrophobicContact CB-CZ 3.96Å; Q23-L30 HydrophobicContact CB-CD1 3.86Å; Q23-L30 HydrophobicContact CG-CD1 4.38Å; Q23-Q33 HydrophobicContact CG-CG 4.11Å
24V97.5Very high93.6Very high0 Ų056 Ų560%028%0.283CS..EExtended strand (participates in β ladder)trans-123.4131.4-177.3-170.60000111.1L3 C4 F5 L30 F31 L32 L64L3-V24 HydrophobicContact CD1-CG1 3.84Å; L3-V24 HydrophobicContact CG-CG1 4.19Å; C4-V24 CarbonylContact O-C 3.55Å; C4-V24 VanDerWaalsContact O-CA 3.3Å; C4-V24 WeakPolarHBondContact O-CA 3.31Å; F5-V24 HydrophobicContact CD1-CB 4.23Å; F5-V24 HydrophobicContact CD1-CG1 3.89Å; F5-V24 HydrophobicContact CD1-CG2 3.32Å; F5-V24 HydrophobicContact CD2-CG1 4.26Å; F5-V24 HydrophobicContact CE1-CB 4.32Å; F5-V24 HydrophobicContact CE1-CG1 3.69Å; F5-V24 HydrophobicContact CE1-CG2 3.58Å; F5-V24 HydrophobicContact CE2-CG1 4.13Å; F5-V24 HydrophobicContact CG-CG1 4.16Å; F5-V24 HydrophobicContact CG-CG2 4.06Å; F5-V24 HydrophobicContact CZ-CG1 3.82Å; V24-L30 WeakPolarHBondContact O-CD1 3.41Å; V24-F31 HydrophobicContact CB-CE1 4.34Å; V24-F31 HydrophobicContact CB-CZ 4.44Å; V24-F31 HydrophobicContact CG1-CE1 3.84Å; V24-F31 HydrophobicContact CG1-CZ 3.86Å; V24-F31 WeakPolarHBondContact O-CD1 3.42Å; V24-F31 PolarHBondContact O-N 3.38Å; V24-F31 VanDerWaalsContact O-N 3.15Å; V24-L32 HydrophobicContact CB-CB 4.09Å; V24-L32 HydrophobicContact CB-CD2 3.98Å; V24-L32 HydrophobicContact CB-CG 4.44Å; V24-L32 HydrophobicContact CG2-CD2 3.5Å; V24-L32 HydrophobicContact CG2-CG 4.41Å; V24-L32 PolarHBondContact N-O 3Å; V24-L64 HydrophobicContact CG2-CD2 4.45Å
25F96.8Very high93.8Very high36 Ų3649.4 Ų49.416%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-123.6128.8-170.7-57.2-101000111L3 C4 N6 Q23 N29 L30L3-F25 WeakPolarHBondContact CA-O 3.47Å; C4-F25 HydrophobicContact CB-CB 4.34Å; C4-F25 PolarHBondContact N-O 3.23Å; C4-F25 PolarHBondContact O-N 2.99Å; N6-F25 HydrophobicContact CB-CE2 4.3Å; N6-F25 WeakPolarHBondContact ND2-CE2 3.25Å; Q23-F25 HydrophobicContact CB-CD2 4.5Å; Q23-F25 HydrophobicContact CB-CE2 3.56Å; Q23-F25 HydrophobicContact CB-CZ 3.96Å; F25-N29 CarbonylContact C-O 3.57Å; F25-N29 VanDerWaalsContact CA-O 3.28Å; F25-N29 WeakPolarHBondContact CA-O 3.41Å; F25-L30 HydrophobicContact CD1-CB 3.78Å; F25-L30 HydrophobicContact CD1-CD1 4.3Å; F25-L30 HydrophobicContact CE1-CB 3.64Å; F25-L30 HydrophobicContact CE1-CD1 3.97Å; F25-L30 HydrophobicContact CE1-CG 4.27Å; F25-L30 HydrophobicContact CE2-CD1 4.24Å; F25-L30 HydrophobicContact CZ-CB 4.42Å; F25-L30 HydrophobicContact CZ-CD1 3.93Å
26L95.1Very high94.3Very high0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-102.5117.6168.4-177.768.1000108.8L3 K28 N29 F31 L47 L163 F166 L167 W170L3-L26 HydrophobicContact CD1-CB 4.45Å; L3-L26 HydrophobicContact CD1-CD1 4.28Å; L26-K28 PolarHBondContact O-N 2.87Å; L26-K28 VanDerWaalsContact O-N 3.13Å; L26-N29 PolarHBondContact N-O 3.29Å; L26-N29 WeakPolarHBondContact O-CB 3.44Å; L26-N29 PolarHBondContact O-N 2.95Å; L26-F31 HydrophobicContact CB-CD1 3.91Å; L26-F31 HydrophobicContact CB-CE1 3.8Å; L26-L47 HydrophobicContact CB-CD2 3.88Å; L26-L47 HydrophobicContact CD2-CD2 3.5Å; L26-L47 VanDerWaalsContact CD2-CD2 3.5Å; L26-L47 HydrophobicContact CG-CD2 4.32Å; L26-L163 HydrophobicContact CD1-CD1 3.39Å; L26-F166 HydrophobicContact CD2-CB 4.38Å; L26-L167 HydrophobicContact CD1-CD2 4.09Å; L26-L167 HydrophobicContact CD1-CG 4.36Å; L26-L167 HydrophobicContact CD2-CD2 4.37Å; L26-W170 HydrophobicContact CD2-CB 3.82Å; L26-W170 HydrophobicContact CD2-CD2 4.2Å; L26-W170 HydrophobicContact CD2-CE3 4.28Å; L26-W170 HydrophobicContact CD2-CG 3.99Å
27N92.4Very high94.5Very high41 Ų4145.3 Ų45.322%0.21922%0.22CC..THydrogen-bonded Turntrans48.338.8-176.2-54-45.3000113.4H1 S2 N29H1-N27 WeakPolarHBondContact CA-OD1 3.37Å; H1-N27 WeakPolarHBondContact CB-OD1 3.48Å; H1-N27 PolarHBondContact ND1-ND2 3.24Å; H1-N27 PolarHBondContact ND1-OD1 3.27Å; S2-N27 PolarHBondContact N-OD1 2.73Å; S2-N27 PolarHBondContact O-N 2.86Å; N27-N29 VanDerWaalsContact C-N 3.33Å
28K91.3Very high94.3Very high188 Ų18844.7 Ų44.782%0.81722%0.22SC*.THydrogen-bonded Turntrans79.4-4.7-175.2-47.2168.6-179.1177.20116.1L26L26-K28 PolarHBondContact O-N 2.87Å; L26-K28 VanDerWaalsContact O-N 3.13Å
29N93.6Very high94Very high76 Ų7647.4 Ų47.441%0.40623%0.233SC..EExtended strand (participates in β ladder)trans-84.9114.9174.6-64.7-40.6000110.5F25 L26 N27 F31 W170F25-N29 CarbonylContact C-O 3.57Å; F25-N29 VanDerWaalsContact CA-O 3.28Å; F25-N29 WeakPolarHBondContact CA-O 3.41Å; L26-N29 PolarHBondContact N-O 3.29Å; L26-N29 WeakPolarHBondContact O-CB 3.44Å; L26-N29 PolarHBondContact O-N 2.95Å; N27-N29 VanDerWaalsContact C-N 3.33Å; N29-F31 PolarHBondContact O-N 3.38Å; N29-W170 VanDerWaalsContact ND2-CH2 3.26Å; N29-W170 WeakPolarHBondContact ND2-CH2 3.5Å
30L95.8Very high93.6Very high61 Ų6150.7 Ų50.732%0.31925%0.251SS..EExtended strand (participates in β ladder)trans-66121.6172.7178.962.6000109.7Q23 V24 F25 L32 Q33 L44Q23-L30 HydrophobicContact CB-CD1 3.86Å; Q23-L30 HydrophobicContact CG-CD1 4.38Å; V24-L30 WeakPolarHBondContact O-CD1 3.41Å; F25-L30 HydrophobicContact CD1-CB 3.78Å; F25-L30 HydrophobicContact CD1-CD1 4.3Å; F25-L30 HydrophobicContact CE1-CB 3.64Å; F25-L30 HydrophobicContact CE1-CD1 3.97Å; F25-L30 HydrophobicContact CE1-CG 4.27Å; F25-L30 HydrophobicContact CE2-CD1 4.24Å; F25-L30 HydrophobicContact CZ-CB 4.42Å; F25-L30 HydrophobicContact CZ-CD1 3.93Å; L30-L32 VanDerWaalsContact CD1-O 3.31Å; L30-L32 WeakPolarHBondContact CD1-O 3.5Å; L30-Q33 HydrophobicContact CD1-CG 4.47Å; L30-L44 HydrophobicContact CD1-CD1 4.26Å; L30-L44 HydrophobicContact CD2-CD1 3.7Å; L30-L44 HydrophobicContact CG-CD1 3.65Å
31F95.2Very high93.3Very high3 Ų351.3 Ų51.31%0.01326%0.255CS..EExtended strand (participates in β ladder)trans-129.6-5.6179.973.3-84.6000113.7L3 V24 L26 N29 L44 L47 G48 V51 F166L3-F31 HydrophobicContact CD1-CE1 3.79Å; L3-F31 HydrophobicContact CD1-CZ 3.96Å; V24-F31 HydrophobicContact CB-CE1 4.34Å; V24-F31 HydrophobicContact CB-CZ 4.44Å; V24-F31 HydrophobicContact CG1-CE1 3.84Å; V24-F31 HydrophobicContact CG1-CZ 3.86Å; V24-F31 WeakPolarHBondContact O-CD1 3.42Å; V24-F31 PolarHBondContact O-N 3.38Å; V24-F31 VanDerWaalsContact O-N 3.15Å; L26-F31 HydrophobicContact CB-CD1 3.91Å; L26-F31 HydrophobicContact CB-CE1 3.8Å; N29-F31 PolarHBondContact O-N 3.38Å; F31-L44 WeakPolarHBondContact CA-O 3.33Å; F31-L44 PolarHBondContact O-N 3.21Å; F31-L47 HydrophobicContact CB-CB 4.1Å; F31-L47 HydrophobicContact CB-CD2 3.76Å; F31-L47 HydrophobicContact CB-CG 4.05Å; F31-L47 HydrophobicContact CD1-CD2 3.85Å; F31-L47 HydrophobicContact CD2-CD2 4.08Å; F31-L47 HydrophobicContact CD2-CG 4.18Å; F31-L47 HydrophobicContact CE1-CD2 4.47Å; F31-L47 HydrophobicContact CG-CD2 3.62Å; F31-L47 HydrophobicContact CG-CG 4.1Å; F31-G48 WeakPolarHBondContact O-CA 3.13Å; F31-V51 HydrophobicContact CD2-CG2 4.02Å; F31-V51 HydrophobicContact CE2-CG2 4.01Å; F31-F166 HydrophobicContact CE2-CD2 4.16Å; F31-F166 HydrophobicContact CE2-CE2 4.16Å; F31-F166 AromaticContact CZ-CD2 3.7Å; F31-F166 HydrophobicContact CZ-CD2 3.7Å; F31-F166 AromaticContact CZ-CE2 3.85Å; F31-F166 HydrophobicContact CZ-CE2 3.85Å; F31-F166 HydrophobicContact CZ-CG 4.42Å
32L95.1Very high93.2Very high0 Ų053.8 Ų53.80%027%0.265CS..EExtended strand (participates in β ladder)trans-149.4138.9-175.5176164.2000110.9V24 L30 V41 W57 L60 L64V24-L32 HydrophobicContact CB-CB 4.09Å; V24-L32 HydrophobicContact CB-CD2 3.98Å; V24-L32 HydrophobicContact CB-CG 4.44Å; V24-L32 HydrophobicContact CG2-CD2 3.5Å; V24-L32 HydrophobicContact CG2-CG 4.41Å; V24-L32 PolarHBondContact N-O 3Å; L30-L32 VanDerWaalsContact CD1-O 3.31Å; L30-L32 WeakPolarHBondContact CD1-O 3.5Å; L32-V41 HydrophobicContact CD1-CG1 3.49Å; L32-V41 VanDerWaalsContact CD1-CG1 3.49Å; L32-V41 HydrophobicContact CD2-CG1 3.66Å; L32-V41 HydrophobicContact CG-CG1 3.26Å; L32-W57 HydrophobicContact CB-CH2 4.26Å; L32-W57 HydrophobicContact CB-CZ3 4.34Å; L32-W57 HydrophobicContact CD1-CE3 4.19Å; L32-W57 HydrophobicContact CD1-CH2 3.82Å; L32-W57 HydrophobicContact CD1-CZ3 3.61Å; L32-W57 HydrophobicContact CG-CH2 3.93Å; L32-W57 HydrophobicContact CG-CZ3 4.15Å; L32-L60 HydrophobicContact CD1-CD2 3.39Å; L32-L60 HydrophobicContact CD1-CG 4.38Å; L32-L64 HydrophobicContact CD2-CD1 3.85Å
33Q96.4Very high93.1Very high64 Ų6455.5 Ų55.530%0.29928%0.276SS..EExtended strand (participates in β ladder)trans-130.3137.7171.6-88.1177.2-14.500110.3A22 Q23 L30 V41 K42 L44A22-Q33 CarbonylContact O-C 3.58Å; A22-Q33 WeakPolarHBondContact O-CA 3.29Å; Q23-Q33 HydrophobicContact CG-CG 4.11Å; L30-Q33 HydrophobicContact CD1-CG 4.47Å; Q33-V41 CarbonylContact O-C 3.49Å; Q33-V41 WeakPolarHBondContact O-CA 3.39Å; Q33-K42 HydrophobicContact CB-CB 4.44Å; Q33-K42 PolarHBondContact N-O 3.17Å; Q33-K42 PolarHBondContact O-N 3.35Å; Q33-L44 HydrophobicContact CB-CD1 4.15Å; Q33-L44 HydrophobicContact CG-CD1 3.64Å
34Y96Very high92.9Very high8 Ų853.7 Ų53.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-121.4142.8174.6167.3-98.2000109.8E21 A22 N39 V41 L64 G65E21-Y34 WeakPolarHBondContact CA-O 3.38Å; A22-Y34 HydrophobicContact CB-CD1 4.15Å; A22-Y34 PolarHBondContact N-O 2.87Å; A22-Y34 PolarHBondContact O-N 3.08Å; Y34-N39 WeakPolarHBondContact CE2-OD1 3.33Å; Y34-N39 PolarHBondContact OH-OD1 2.97Å; Y34-V41 HydrophobicContact CD2-CG2 3.85Å; Y34-L64 HydrophobicContact CD1-CB 4.35Å; Y34-L64 HydrophobicContact CD2-CB 4.31Å; Y34-L64 HydrophobicContact CG-CB 4.15Å; Y34-L64 HydrophobicContact CG-CD1 4.35Å; Y34-G65 WeakPolarHBondContact OH-CA 3.5Å
35N93Very high92.6Very high49 Ų4956.2 Ų56.226%0.26230%0.295SS..EExtended strand (participates in β ladder)trans-134.4146.9165.879.565.8000110.8P18 D37 N38 N39 M40P18-N35 HydrophobicContact CB-CB 4.01Å; P18-N35 HydrophobicContact CG-CB 4.28Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 PolarHBondContact OD1-N 3.32Å; N35-D37 VanDerWaalsContact OD1-N 3.11Å; N35-N38 PolarHBondContact ND2-OD1 3.39Å; N35-N38 PolarHBondContact OD1-N 3.03Å; N35-N38 PolarHBondContact OD1-OD1 3.1Å; N35-N39 WeakPolarHBondContact O-CA 3.18Å; N35-N39 PolarHBondContact O-N 3.27Å; N35-M40 PolarHBondContact N-O 3.49Å; N35-M40 PolarHBondContact O-N 3.21Å
36S93Very high92.3Very high14 Ų1461 Ų6110%0.09832%0.321CS..THydrogen-bonded Turntrans-83.9-3.1-17673.60000114.8P18 W19 C20P18-S36 WeakPolarHBondContact CA-OG 3.49Å; W19-S36 VanDerWaalsContact CE2-CB 3.47Å; W19-S36 PolarHBondContact N-OG 3.42Å; W19-S36 PolarHBondContact NE1-OG 3.08Å; C20-S36 PolarHBondContact N-OG 2.92Å; C20-S36 WeakPolarHBondContact O-CB 3.25Å; C20-S36 PolarHBondContact O-N 2.88Å; C20-S36 PolarHBondContact O-OG 3.01Å
37D88.8Confident92.2Very high92 Ų9261.4 Ų61.449%0.49232%0.323SS..THydrogen-bonded Turntrans-76-48.1-176.9-174.950000110.4P18 N35P18-D37 HydrophobicContact CB-CB 4.19Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 PolarHBondContact OD1-N 3.32Å; N35-D37 VanDerWaalsContact OD1-N 3.11Å
38N85.7Confident92.2Very high83 Ų8359.5 Ų59.544%0.44431%0.313SS..THydrogen-bonded Turntrans-103-0.9173.464.39.4000113.1N35 M40N35-N38 PolarHBondContact ND2-OD1 3.39Å; N35-N38 PolarHBondContact OD1-N 3.03Å; N35-N38 PolarHBondContact OD1-OD1 3.1Å; N38-M40 HydrophobicContact CB-CG 3.97Å; N38-M40 HydrophobicContact CB-SD 4.25Å; N38-M40 VanDerWaalsContact CG-CG 3.48Å; N38-M40 WeakPolarHBondContact O-CG 3.47Å; N38-M40 PolarHBondContact O-N 2.78Å; N38-M40 WeakPolarHBondContact OD1-CB 3.39Å; N38-M40 PolarHBondContact OD1-N 2.63Å
39N85.8Confident92.2Very high80 Ų8057.7 Ų57.743%0.42831%0.305SS..THydrogen-bonded Turntrans52.135.4-173.8-165.754.7000112.6Y34 N35Y34-N39 WeakPolarHBondContact CE2-OD1 3.33Å; Y34-N39 PolarHBondContact OH-OD1 2.97Å; N35-N39 WeakPolarHBondContact O-CA 3.18Å; N35-N39 PolarHBondContact O-N 3.27Å
40M85.1Confident92.1Very high114 Ų11457.6 Ų57.656%0.56230%0.301SS*.EExtended strand (participates in β ladder)trans-107.5145-178.6-61.5-175.96800111.7N35 N38N35-M40 PolarHBondContact N-O 3.49Å; N35-M40 PolarHBondContact O-N 3.21Å; N38-M40 HydrophobicContact CB-CG 3.97Å; N38-M40 HydrophobicContact CB-SD 4.25Å; N38-M40 VanDerWaalsContact CG-CG 3.48Å; N38-M40 WeakPolarHBondContact O-CG 3.47Å; N38-M40 PolarHBondContact O-N 2.78Å; N38-M40 WeakPolarHBondContact OD1-CB 3.39Å; N38-M40 PolarHBondContact OD1-N 2.63Å
41V90.6Very high91.9Very high14 Ų1454.7 Ų54.79%0.08529%0.286CS..EExtended strand (participates in β ladder)trans-99.1127.3167-177.10000109.1L32 Q33 Y34 W57 T61 L64L32-V41 HydrophobicContact CD1-CG1 3.49Å; L32-V41 VanDerWaalsContact CD1-CG1 3.49Å; L32-V41 HydrophobicContact CD2-CG1 3.66Å; L32-V41 HydrophobicContact CG-CG1 3.26Å; Q33-V41 CarbonylContact O-C 3.49Å; Q33-V41 WeakPolarHBondContact O-CA 3.39Å; Y34-V41 HydrophobicContact CD2-CG2 3.85Å; V41-W57 HydrophobicContact CB-CZ2 3.81Å; V41-W57 HydrophobicContact CG1-CH2 3.49Å; V41-W57 VanDerWaalsContact CG1-CH2 3.49Å; V41-W57 HydrophobicContact CG1-CZ2 3.18Å; V41-W57 HydrophobicContact CG1-CZ3 4.35Å; V41-T61 HydrophobicContact CG2-CG2 3.68Å; V41-T61 WeakPolarHBondContact CG2-OG1 3.49Å; V41-L64 HydrophobicContact CG2-CD1 4.07Å
42K94Very high91.7Very high129 Ų12958 Ų5856%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-99.6119.9175.8-177.4176.9179-177.80109.8Q33 L44Q33-K42 HydrophobicContact CB-CB 4.44Å; Q33-K42 PolarHBondContact N-O 3.17Å; Q33-K42 PolarHBondContact O-N 3.35Å; K42-L44 HydrophobicContact CD-CD2 4.17Å; K42-L44 HydrophobicContact CG-CD2 4.16Å
43P95.2Very high91.3Very high38 Ų3862.5 Ų62.525%0.24734%0.341CS..EExtended strand (participates in β ladder)trans-71.9141.3170.929.7-32.9000111.1G48 N52 W57P43-G48 VanDerWaalsContact CB-C 3.41Å; P43-G48 VanDerWaalsContact CB-O 3.3Å; P43-G48 WeakPolarHBondContact CB-O 3.38Å; P43-N52 HydrophobicContact CB-CB 4.11Å; P43-N52 HydrophobicContact CG-CB 4.29Å; P43-W57 HydrophobicContact CB-CH2 3.69Å; P43-W57 HydrophobicContact CB-CZ2 4.03Å; P43-W57 HydrophobicContact CB-CZ3 4.48Å; P43-W57 HydrophobicContact CG-CZ2 4.37Å
44L94.9Very high90.9Very high37 Ų3760.7 Ų60.719%0.19434%0.335CS..  trans-127.1142179.4-57.5174000110.7L30 F31 Q33 K42 G48L30-L44 HydrophobicContact CD1-CD1 4.26Å; L30-L44 HydrophobicContact CD2-CD1 3.7Å; L30-L44 HydrophobicContact CG-CD1 3.65Å; F31-L44 WeakPolarHBondContact CA-O 3.33Å; F31-L44 PolarHBondContact O-N 3.21Å; Q33-L44 HydrophobicContact CB-CD1 4.15Å; Q33-L44 HydrophobicContact CG-CD1 3.64Å; K42-L44 HydrophobicContact CD-CD2 4.17Å; K42-L44 HydrophobicContact CG-CD2 4.16Å; L44-G48 VanDerWaalsContact O-CA 3.31Å; L44-G48 WeakPolarHBondContact O-CA 3.24Å; L44-G48 PolarHBondContact O-N 3.45Å; L44-G48 VanDerWaalsContact O-N 3.07Å
45G91.4Very high90.4Very high54 Ų5464.7 Ų64.756%0.55736%0.363SS*.Hα-helixtrans63.5-169.4-179.400000114K49G45-K49 WeakPolarHBondContact O-CG 2.91Å; G45-K49 PolarHBondContact O-N 2.95Å
46L90.3Very high90.2Very high137 Ų13762.5 Ų62.572%0.71735%0.352SS*.Hα-helixtrans-69.4-42.9178.6-66.3176.2000111.7K49 K50 M173L46-K49 PolarHBondContact O-N 3.22Å; L46-K50 PolarHBondContact O-N 3.07Å; L46-M173 HydrophobicContact CB-SD 4.09Å
47L91.6Very high90Very high8 Ų862.9 Ų62.94%0.04235%0.351CS..Hα-helixtrans-58.4-52.3178.4178.263.7000111.1L26 F31 K49 K50 V51 H169 W170 M173L26-L47 HydrophobicContact CB-CD2 3.88Å; L26-L47 HydrophobicContact CD2-CD2 3.5Å; L26-L47 VanDerWaalsContact CD2-CD2 3.5Å; L26-L47 HydrophobicContact CG-CD2 4.32Å; F31-L47 HydrophobicContact CB-CB 4.1Å; F31-L47 HydrophobicContact CB-CD2 3.76Å; F31-L47 HydrophobicContact CB-CG 4.05Å; F31-L47 HydrophobicContact CD1-CD2 3.85Å; F31-L47 HydrophobicContact CD2-CD2 4.08Å; F31-L47 HydrophobicContact CD2-CG 4.18Å; F31-L47 HydrophobicContact CE1-CD2 4.47Å; F31-L47 HydrophobicContact CG-CD2 3.62Å; F31-L47 HydrophobicContact CG-CG 4.1Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.33Å; L47-K50 WeakPolarHBondContact O-CB 3.49Å; L47-K50 PolarHBondContact O-N 3.35Å; L47-V51 HydrophobicContact CD1-CG1 3.87Å; L47-V51 HydrophobicContact CG-CG1 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.02Å; L47-V51 PolarHBondContact O-N 3.43Å; L47-H169 HydrophobicContact CD1-CB 4.48Å; L47-W170 HydrophobicContact CB-CE3 4.19Å; L47-W170 HydrophobicContact CB-CZ3 4.39Å; L47-W170 HydrophobicContact CD1-CB 4.22Å; L47-W170 HydrophobicContact CD1-CE3 4.23Å; L47-W170 HydrophobicContact CD2-CE3 3.87Å; L47-W170 HydrophobicContact CD2-CZ3 4.41Å; L47-W170 HydrophobicContact CG-CE3 4.31Å; L47-M173 HydrophobicContact CB-CE 3.91Å; L47-M173 HydrophobicContact CD1-CE 4.17Å
48G93.3Very high90Very high0 Ų060.5 Ų60.50%035%0.348CS..Hα-helixtrans-56.6-41.9-179.600000112.4F31 P43 L44 K50 N52F31-G48 WeakPolarHBondContact O-CA 3.13Å; P43-G48 VanDerWaalsContact CB-C 3.41Å; P43-G48 VanDerWaalsContact CB-O 3.3Å; P43-G48 WeakPolarHBondContact CB-O 3.38Å; L44-G48 VanDerWaalsContact O-CA 3.31Å; L44-G48 WeakPolarHBondContact O-CA 3.24Å; L44-G48 PolarHBondContact O-N 3.45Å; L44-G48 VanDerWaalsContact O-N 3.07Å; G48-K50 VanDerWaalsContact C-N 3.34Å; G48-K50 PolarHBondContact O-N 3.49Å; G48-N52 VanDerWaalsContact O-CB 3.23Å; G48-N52 WeakPolarHBondContact O-CB 3.16Å; G48-N52 PolarHBondContact O-N 3.48Å
49K92.4Very high90.3Very high151 Ų15161.1 Ų61.166%0.65735%0.349SS*.Hα-helixtrans-63.8-38.2175.8-71.6177.1-178.7-178.10112.6G45 L46 L47G45-K49 WeakPolarHBondContact O-CG 2.91Å; G45-K49 PolarHBondContact O-N 2.95Å; L46-K49 PolarHBondContact O-N 3.22Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.33Å
50K90.8Very high90.6Very high73 Ų7357.3 Ų57.332%0.31733%0.328SS..Hα-helixtrans-70-42.9-179.4-164.6170.8-176.8-175.60111.7L46 L47 G48 H169 A172 M173L46-K50 PolarHBondContact O-N 3.07Å; L47-K50 WeakPolarHBondContact O-CB 3.49Å; L47-K50 PolarHBondContact O-N 3.35Å; G48-K50 VanDerWaalsContact C-N 3.34Å; G48-K50 PolarHBondContact O-N 3.49Å; K50-H169 HydrophobicContact CD-CB 4.19Å; K50-H169 HydrophobicContact CG-CB 4.37Å; K50-H169 PolarHBondContact NZ-O 3.29Å; K50-A172 PolarHBondContact NZ-O 3.4Å; K50-A172 VanDerWaalsContact NZ-O 3.08Å; K50-M173 HydrophobicContact CD-CG 3.98Å; K50-M173 HydrophobicContact CD-SD 4.29Å
51V91.6Very high90.9Very high0 Ų053.1 Ų53.10%031%0.309CS..Hα-helixtrans-81-19.3-178.9-56.60000113.4F31 L47 A53 T54 W57 F166 H169F31-V51 HydrophobicContact CD2-CG2 4.02Å; F31-V51 HydrophobicContact CE2-CG2 4.01Å; L47-V51 HydrophobicContact CD1-CG1 3.87Å; L47-V51 HydrophobicContact CG-CG1 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.02Å; L47-V51 PolarHBondContact O-N 3.43Å; V51-A53 PolarHBondContact O-N 2.98Å; V51-A53 VanDerWaalsContact O-N 3.1Å; V51-T54 PolarHBondContact O-N 3.15Å; V51-T54 PolarHBondContact O-OG1 3.11Å; V51-T54 VanDerWaalsContact O-OG1 3.12Å; V51-W57 HydrophobicContact CG2-CE3 3.8Å; V51-W57 HydrophobicContact CG2-CZ3 3.74Å; V51-F166 HydrophobicContact CB-CD1 3.95Å; V51-F166 HydrophobicContact CB-CE1 4.03Å; V51-F166 HydrophobicContact CG1-CD1 3.63Å; V51-F166 HydrophobicContact CG1-CE1 4.24Å; V51-F166 HydrophobicContact CG1-CG 4.38Å; V51-F166 HydrophobicContact CG2-CD1 4.46Å; V51-F166 HydrophobicContact CG2-CE1 4.4Å; V51-H169 HydrophobicContact CG1-CB 3.98Å
52N91.4Very high91Very high73 Ų7358.2 Ų58.239%0.3933%0.332SS..THydrogen-bonded Turntrans-61.7-17.5176.7179.941000114.3P43 G48 W57P43-N52 HydrophobicContact CB-CB 4.11Å; P43-N52 HydrophobicContact CG-CB 4.29Å; G48-N52 VanDerWaalsContact O-CB 3.23Å; G48-N52 WeakPolarHBondContact O-CB 3.16Å; G48-N52 PolarHBondContact O-N 3.48Å; N52-W57 HydrophobicContact CB-CD2 4.13Å; N52-W57 HydrophobicContact CB-CE3 4.32Å; N52-W57 HydrophobicContact CB-CZ2 4.3Å; N52-W57 VanDerWaalsContact OD1-CE2 3.23Å; N52-W57 PolarHBondContact OD1-NE1 2.86Å
53A85.9Confident91.1Very high94 Ų9453.3 Ų53.378%0.77731%0.313SS*.THydrogen-bonded Turntrans-89.3-3.1177.200000113.5V51V51-A53 PolarHBondContact O-N 2.98Å; V51-A53 VanDerWaalsContact O-N 3.1Å
54T88.1Confident91.1Very high27 Ų2751.6 Ų51.617%0.16630%0.302CS..SBendtrans-90.5155.9-176.5790000111.9V51 T56 W57 E165 H169V51-T54 PolarHBondContact O-N 3.15Å; V51-T54 PolarHBondContact O-OG1 3.11Å; V51-T54 VanDerWaalsContact O-OG1 3.12Å; T54-T56 PolarHBondContact O-N 3Å; T54-W57 VanDerWaalsContact O-CB 3.32Å; T54-W57 WeakPolarHBondContact O-CB 3.25Å; T54-W57 PolarHBondContact O-N 3.38Å; T54-E165 WeakPolarHBondContact CB-OE1 3.41Å; T54-E165 PolarHBondContact OG1-OE1 3.02Å; T54-H169 WeakPolarHBondContact CG2-NE2 3.3Å
55S85.9Confident91.1Very high91 Ų9149.9 Ų49.964%0.63629%0.293SS*.Hα-helixtrans-58.8-34.8174.547.10000112.1W57 G58 E59S55-W57 PolarHBondContact O-N 3.03Å; S55-G58 PolarHBondContact O-N 2.82Å; S55-E59 PolarHBondContact O-N 2.9Å
56T88.2Confident91.3Very high4 Ų450.6 Ų50.63%0.02528%0.282CS..Hα-helixtrans-65.9-25.5-177.9-54.10000112.5T54 G58 E59 L60 W162 E165 F166T54-T56 PolarHBondContact O-N 3Å; T56-G58 VanDerWaalsContact C-N 3.32Å; T56-G58 PolarHBondContact O-N 3.05Å; T56-E59 PolarHBondContact O-N 2.93Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 PolarHBondContact O-N 2.85Å; T56-W162 HydrophobicContact CG2-CG 4.24Å; T56-E165 VanDerWaalsContact CB-CD 3.41Å; T56-E165 WeakPolarHBondContact CB-OE1 3.36Å; T56-E165 WeakPolarHBondContact CB-OE2 3.38Å; T56-E165 VanDerWaalsContact CG2-OE2 3.29Å; T56-E165 WeakPolarHBondContact CG2-OE2 3.31Å; T56-E165 PolarHBondContact OG1-OE1 2.86Å; T56-E165 PolarHBondContact OG1-OE2 3.13Å; T56-F166 HydrophobicContact CG2-CE1 4.18Å; T56-F166 HydrophobicContact CG2-CZ 4.22Å
57W89.2Confident91.7Very high21 Ų2144.3 Ų44.38%0.0825%0.249CC..Hα-helixtrans-60.5-42.6170-175.1-95.1000112.6L32 V41 P43 V51 N52 T54 S55 T61L32-W57 HydrophobicContact CB-CH2 4.26Å; L32-W57 HydrophobicContact CB-CZ3 4.34Å; L32-W57 HydrophobicContact CD1-CE3 4.19Å; L32-W57 HydrophobicContact CD1-CH2 3.82Å; L32-W57 HydrophobicContact CD1-CZ3 3.61Å; L32-W57 HydrophobicContact CG-CH2 3.93Å; L32-W57 HydrophobicContact CG-CZ3 4.15Å; V41-W57 HydrophobicContact CB-CZ2 3.81Å; V41-W57 HydrophobicContact CG1-CH2 3.49Å; V41-W57 VanDerWaalsContact CG1-CH2 3.49Å; V41-W57 HydrophobicContact CG1-CZ2 3.18Å; V41-W57 HydrophobicContact CG1-CZ3 4.35Å; P43-W57 HydrophobicContact CB-CH2 3.69Å; P43-W57 HydrophobicContact CB-CZ2 4.03Å; P43-W57 HydrophobicContact CB-CZ3 4.48Å; P43-W57 HydrophobicContact CG-CZ2 4.37Å; V51-W57 HydrophobicContact CG2-CE3 3.8Å; V51-W57 HydrophobicContact CG2-CZ3 3.74Å; N52-W57 HydrophobicContact CB-CD2 4.13Å; N52-W57 HydrophobicContact CB-CE3 4.32Å; N52-W57 HydrophobicContact CB-CZ2 4.3Å; N52-W57 VanDerWaalsContact OD1-CE2 3.23Å; N52-W57 PolarHBondContact OD1-NE1 2.86Å; T54-W57 VanDerWaalsContact O-CB 3.32Å; T54-W57 WeakPolarHBondContact O-CB 3.25Å; T54-W57 PolarHBondContact O-N 3.38Å; S55-W57 PolarHBondContact O-N 3.03Å; W57-T61 WeakPolarHBondContact O-CB 3.45Å; W57-T61 PolarHBondContact O-N 2.76Å; W57-T61 PolarHBondContact O-OG1 2.97Å
58G89.4Confident91.9Very high42 Ų4243.9 Ų43.943%0.43325%0.247SC..Hα-helixtrans-67-46177.600000111.8S55 T56 T61 Q62S55-G58 PolarHBondContact O-N 2.82Å; T56-G58 VanDerWaalsContact C-N 3.32Å; T56-G58 PolarHBondContact O-N 3.05Å; G58-T61 WeakPolarHBondContact O-CB 3.37Å; G58-T61 PolarHBondContact O-N 3.12Å; G58-Q62 PolarHBondContact O-N 3.42Å
59E91.7Very high92Very high96 Ų9649.8 Ų49.845%0.44927%0.269SS..Hα-helixtrans-58.9-48.7175.7-65.1178.3-175.100111.3S55 T56 T61 Q62 T63S55-E59 PolarHBondContact O-N 2.9Å; T56-E59 PolarHBondContact O-N 2.93Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 PolarHBondContact O-N 2.79Å; E59-Q62 PolarHBondContact O-N 2.85Å; E59-T63 PolarHBondContact O-N 2.95Å; E59-T63 PolarHBondContact O-OG1 3.31Å; E59-T63 VanDerWaalsContact O-OG1 3.11Å
60L91.8Very high92.2Very high1 Ų144.9 Ų44.91%0.00525%0.25CS..Hα-helixtrans-59.1-43.4177.3-172.763.9000111.7F5 L32 T56 Q62 T63 L64 W162 F166F5-L60 HydrophobicContact CE1-CD1 3.67Å; F5-L60 HydrophobicContact CZ-CD1 3.97Å; L32-L60 HydrophobicContact CD1-CD2 3.39Å; L32-L60 HydrophobicContact CD1-CG 4.38Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 PolarHBondContact O-N 2.85Å; L60-Q62 VanDerWaalsContact C-N 3.33Å; L60-Q62 PolarHBondContact O-N 2.97Å; L60-T63 PolarHBondContact O-N 3.49Å; L60-L64 HydrophobicContact CD1-CG 4.48Å; L60-L64 HydrophobicContact CG-CD1 4.16Å; L60-L64 HydrophobicContact CG-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 VanDerWaalsContact O-CG 3.22Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.48Å; L60-W162 HydrophobicContact CD1-CD2 3.7Å; L60-W162 HydrophobicContact CD1-CE3 3.66Å; L60-W162 HydrophobicContact CD1-CG 4.42Å; L60-W162 HydrophobicContact CD1-CH2 3.92Å; L60-W162 HydrophobicContact CD1-CZ2 3.93Å; L60-W162 HydrophobicContact CD1-CZ3 3.79Å; L60-F166 HydrophobicContact CD2-CE2 4.07Å; L60-F166 HydrophobicContact CD2-CZ 3.88Å
61T91.3Very high92.5Very high26 Ų2641.4 Ų41.416%0.1624%0.235CC..Hα-helixtrans-58.2-45.8177.4-62.90000111.5V41 W57 G58 E59 G65V41-T61 HydrophobicContact CG2-CG2 3.68Å; V41-T61 WeakPolarHBondContact CG2-OG1 3.49Å; W57-T61 WeakPolarHBondContact O-CB 3.45Å; W57-T61 PolarHBondContact O-N 2.76Å; W57-T61 PolarHBondContact O-OG1 2.97Å; G58-T61 WeakPolarHBondContact O-CB 3.37Å; G58-T61 PolarHBondContact O-N 3.12Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 PolarHBondContact O-N 2.79Å; T61-G65 PolarHBondContact O-N 2.91Å
62Q93.1Very high92.7Very high120 Ų12044.5 Ų44.556%0.56125%0.247SC*.Hα-helixtrans-62.9-48.3176.8-179.8178.2-17.800110.9G58 E59 L60 L64 G65 E66G58-Q62 PolarHBondContact O-N 3.42Å; E59-Q62 PolarHBondContact O-N 2.85Å; L60-Q62 VanDerWaalsContact C-N 3.33Å; L60-Q62 PolarHBondContact O-N 2.97Å; Q62-L64 PolarHBondContact O-N 3.05Å; Q62-G65 PolarHBondContact O-N 2.88Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.14Å; Q62-E66 PolarHBondContact O-N 3.21Å
63T95.1Very high92.7Very high26 Ų2646.2 Ų46.216%0.1625%0.254CS..Hα-helixtrans-64.3-37.4-178.6-54.10000112.4E59 L60 G65 E66 V67 L154 W162E59-T63 PolarHBondContact O-N 2.95Å; E59-T63 PolarHBondContact O-OG1 3.31Å; E59-T63 VanDerWaalsContact O-OG1 3.11Å; L60-T63 PolarHBondContact O-N 3.49Å; T63-G65 VanDerWaalsContact C-N 3.29Å; T63-G65 PolarHBondContact O-N 2.67Å; T63-E66 PolarHBondContact O-N 2.9Å; T63-V67 HydrophobicContact CG2-CG2 3.9Å; T63-V67 WeakPolarHBondContact O-CB 3.25Å; T63-V67 VanDerWaalsContact O-CG2 3.25Å; T63-V67 WeakPolarHBondContact O-CG2 3.24Å; T63-V67 PolarHBondContact O-N 3.12Å; T63-L154 HydrophobicContact CG2-CD2 3.69Å; T63-W162 HydrophobicContact CG2-CH2 3.69Å; T63-W162 HydrophobicContact CG2-CZ2 4.24Å
64L96.1Very high93.1Very high3 Ų342.4 Ų42.42%0.01622%0.22CC..Hα-helixtrans-59.7-40.4175.1-72.8172.5000112F5 F7 A22 V24 L32 Y34 V41 L60 Q62 G68F5-L64 HydrophobicContact CD1-CD2 3.82Å; F5-L64 HydrophobicContact CE1-CD2 4.07Å; F7-L64 HydrophobicContact CE1-CD2 3.8Å; F7-L64 HydrophobicContact CZ-CD2 3.56Å; A22-L64 HydrophobicContact CB-CD2 4.18Å; V24-L64 HydrophobicContact CG2-CD2 4.45Å; L32-L64 HydrophobicContact CD2-CD1 3.85Å; Y34-L64 HydrophobicContact CD1-CB 4.35Å; Y34-L64 HydrophobicContact CD2-CB 4.31Å; Y34-L64 HydrophobicContact CG-CB 4.15Å; Y34-L64 HydrophobicContact CG-CD1 4.35Å; V41-L64 HydrophobicContact CG2-CD1 4.07Å; L60-L64 HydrophobicContact CD1-CG 4.48Å; L60-L64 HydrophobicContact CG-CD1 4.16Å; L60-L64 HydrophobicContact CG-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 VanDerWaalsContact O-CG 3.22Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.48Å; Q62-L64 PolarHBondContact O-N 3.05Å; L64-G68 PolarHBondContact O-N 2.86Å
65G95.2Very high93.3Very high1 Ų141.1 Ų41.11%0.0121%0.212CC..Hα-helixtrans-68.6-38.6175.800000113.2Y34 T61 Q62 T63 R69Y34-G65 WeakPolarHBondContact OH-CA 3.5Å; T61-G65 PolarHBondContact O-N 2.91Å; Q62-G65 PolarHBondContact O-N 2.88Å; T63-G65 VanDerWaalsContact C-N 3.29Å; T63-G65 PolarHBondContact O-N 2.67Å; G65-R69 WeakPolarHBondContact O-CG 3.23Å; G65-R69 PolarHBondContact O-N 2.78Å; G65-R69 VanDerWaalsContact O-N 3.14Å
66E96Very high93.4Very high69 Ų6939.8 Ų39.832%0.32220%0.202SC..Hα-helixtrans-65.2-53.1174.7-70.8171.5-176.100111.5Q62 T63 G68 R69 D70Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.14Å; Q62-E66 PolarHBondContact O-N 3.21Å; T63-E66 PolarHBondContact O-N 2.9Å; E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 3.2Å; E66-R69 VanDerWaalsContact CG-NH2 3.34Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.9Å; E66-D70 VanDerWaalsContact O-CG 3.31Å; E66-D70 PolarHBondContact O-N 2.95Å
67V97.1Very high93.5Very high4 Ų444.6 Ų44.62%0.02423%0.228CC..Hα-helixtrans-57.2-42.9176.3174.20000110.9F7 T63 R69 D70 L71 W108 Y150 L154F7-V67 HydrophobicContact CD1-CG1 4.47Å; F7-V67 HydrophobicContact CE1-CB 4.2Å; F7-V67 HydrophobicContact CE1-CG1 3.84Å; F7-V67 HydrophobicContact CE2-CG1 3.94Å; F7-V67 HydrophobicContact CZ-CB 4.04Å; F7-V67 HydrophobicContact CZ-CG1 3.53Å; T63-V67 HydrophobicContact CG2-CG2 3.9Å; T63-V67 WeakPolarHBondContact O-CB 3.25Å; T63-V67 VanDerWaalsContact O-CG2 3.25Å; T63-V67 WeakPolarHBondContact O-CG2 3.24Å; T63-V67 PolarHBondContact O-N 3.12Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 3.02Å; V67-D70 PolarHBondContact O-N 3.05Å; V67-L71 HydrophobicContact CG1-CD1 3.79Å; V67-L71 HydrophobicContact CG1-CG 4.04Å; V67-L71 WeakPolarHBondContact O-CB 3.45Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 3.33Å; V67-W108 HydrophobicContact CG1-CH2 4.07Å; V67-W108 HydrophobicContact CG1-CZ3 4.4Å; V67-Y150 WeakPolarHBondContact CA-OH 3.41Å; V67-Y150 WeakPolarHBondContact CG2-OH 3.34Å; V67-L154 HydrophobicContact CG2-CD1 3.68Å; V67-L154 HydrophobicContact CG2-CD2 4.14Å
68G96.6Very high93.4Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-55.2-48.3174.800000112.2W19 L64 E66 R72W19-G68 VanDerWaalsContact CZ3-C 3.48Å; W19-G68 WeakPolarHBondContact CZ3-O 3.37Å; L64-G68 PolarHBondContact O-N 2.86Å; E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 3.2Å; G68-R72 WeakPolarHBondContact O-CB 3.49Å; G68-R72 PolarHBondContact O-N 2.82Å
69R95.8Very high93.2Very high123 Ų12345.2 Ų45.246%0.46422%0.219SC..Hα-helixtrans-62.9-44.9177.8-74.9-174.3-70.3-99.41.8111.7W19 G65 E66 V67 R72 M73W19-R69 HydrophobicContact CH2-CB 4.38Å; W19-R69 HydrophobicContact CH2-CG 3.65Å; W19-R69 HydrophobicContact CZ2-CG 4.14Å; G65-R69 WeakPolarHBondContact O-CG 3.23Å; G65-R69 PolarHBondContact O-N 2.78Å; G65-R69 VanDerWaalsContact O-N 3.14Å; E66-R69 VanDerWaalsContact CG-NH2 3.34Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.9Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 3.02Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 PolarHBondContact O-N 2.86Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R69-M73 WeakPolarHBondContact O-CG 3.44Å; R69-M73 PolarHBondContact O-N 2.87Å
70D96.1Very high92.9Very high49 Ų4946.1 Ų46.126%0.26223%0.234SC..Hα-helixtrans-62.8-45.9-179.7-64.3-21.8000111.3E66 V67 R72 M73 L74 Y150E66-D70 VanDerWaalsContact O-CG 3.31Å; E66-D70 PolarHBondContact O-N 2.95Å; V67-D70 PolarHBondContact O-N 3.05Å; D70-R72 VanDerWaalsContact C-N 3.27Å; D70-R72 PolarHBondContact O-N 3.28Å; D70-M73 HydrophobicContact CB-CE 4.43Å; D70-M73 WeakPolarHBondContact O-CB 3.33Å; D70-M73 PolarHBondContact O-N 3.41Å; D70-M73 WeakPolarHBondContact OD1-CE 3.45Å; D70-L74 WeakPolarHBondContact O-CG 3.38Å; D70-L74 PolarHBondContact O-N 2.96Å; D70-Y150 WeakPolarHBondContact OD2-CE2 3.37Å; D70-Y150 PolarHBondContact OD2-OH 3.33Å
71L96.6Very high92.6Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-62.4-34.4174.6-68.7178.6000112.3F7 I9 V67 L74 L75 L90 V92 W108 F110 F151F7-L71 HydrophobicContact CB-CD1 3.92Å; F7-L71 HydrophobicContact CD1-CD1 4.2Å; F7-L71 HydrophobicContact CD2-CD1 4.14Å; F7-L71 HydrophobicContact CG-CD1 3.84Å; I9-L71 HydrophobicContact CD1-CB 4.28Å; I9-L71 HydrophobicContact CD1-CD1 4.46Å; I9-L71 HydrophobicContact CG1-CB 3.89Å; I9-L71 HydrophobicContact CG1-CD1 4.32Å; V67-L71 HydrophobicContact CG1-CD1 3.79Å; V67-L71 HydrophobicContact CG1-CG 4.04Å; V67-L71 WeakPolarHBondContact O-CB 3.45Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 3.33Å; L71-L74 HydrophobicContact CD2-CD1 4.13Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-L75 PolarHBondContact O-N 3.14Å; L71-L90 HydrophobicContact CB-CD2 4.43Å; L71-V92 HydrophobicContact CD1-CB 4Å; L71-V92 HydrophobicContact CD1-CG1 4.32Å; L71-V92 HydrophobicContact CD1-CG2 3.84Å; L71-V92 HydrophobicContact CD2-CG1 4.39Å; L71-V92 HydrophobicContact CD2-CG2 3.98Å; L71-V92 HydrophobicContact CG-CG2 4.45Å; L71-W108 HydrophobicContact CD2-CZ3 4.22Å; L71-F110 HydrophobicContact CD2-CE1 4.3Å; L71-F151 HydrophobicContact CD2-CE1 4.45Å
72R95.1Very high92.2Very high65 Ų6549.3 Ų49.325%0.24525%0.247CC..Hα-helixtrans-68-40.3174.7-169.5176.7-172.6178.71.9111.9I9 S11 W19 G68 R69 D70 L75 C76I9-R72 HydrophobicContact CG2-CB 3.72Å; I9-R72 HydrophobicContact CG2-CG 4.02Å; S11-R72 PolarHBondContact O-NH2 3.29Å; W19-R72 VanDerWaalsContact CD2-NH1 3.28Å; W19-R72 HydrophobicContact CE3-CB 4.33Å; W19-R72 HydrophobicContact CE3-CG 4.43Å; W19-R72 HydrophobicContact CZ3-CB 4.1Å; G68-R72 WeakPolarHBondContact O-CB 3.49Å; G68-R72 PolarHBondContact O-N 2.82Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 PolarHBondContact O-N 2.86Å; R69-R72 VanDerWaalsContact O-N 3.16Å; D70-R72 VanDerWaalsContact C-N 3.27Å; D70-R72 PolarHBondContact O-N 3.28Å; R72-L75 PolarHBondContact O-N 3.16Å; R72-C76 PolarHBondContact O-N 3.3Å; R72-C76 PolarHBondContact O-SG 3.3Å; R72-C76 VanDerWaalsContact O-SG 3.38Å
73M92.8Very high91.1Very high108 Ų10851.8 Ų51.853%0.53226%0.256SS..Hα-helixtrans-61.4-46173.3-69.2-173.1-67.400110.7R69 D70 L75 C76 D77R69-M73 WeakPolarHBondContact O-CG 3.44Å; R69-M73 PolarHBondContact O-N 2.87Å; D70-M73 HydrophobicContact CB-CE 4.43Å; D70-M73 WeakPolarHBondContact O-CB 3.33Å; D70-M73 PolarHBondContact O-N 3.41Å; D70-M73 WeakPolarHBondContact OD1-CE 3.45Å; M73-L75 VanDerWaalsContact C-N 3.31Å; M73-L75 PolarHBondContact O-N 2.99Å; M73-C76 WeakPolarHBondContact O-CB 3.37Å; M73-C76 PolarHBondContact O-N 3.32Å; M73-D77 PolarHBondContact O-N 2.85Å
74L93Very high89.8Confident15 Ų1553.7 Ų53.78%0.07927%0.268CS..Hα-helixtrans-58-42.2175.5-68.9173000112.4D70 L71 C76 D77 I78 W141 L147 F151D70-L74 WeakPolarHBondContact O-CG 3.38Å; D70-L74 PolarHBondContact O-N 2.96Å; L71-L74 HydrophobicContact CD2-CD1 4.13Å; L71-L74 PolarHBondContact O-N 2.92Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-D77 PolarHBondContact O-N 3.04Å; L74-I78 WeakPolarHBondContact O-CG1 3.49Å; L74-I78 WeakPolarHBondContact O-CG2 3.36Å; L74-I78 PolarHBondContact O-N 3.04Å; L74-W141 HydrophobicContact CB-CZ2 4.05Å; L74-L147 HydrophobicContact CD1-CD1 3.84Å; L74-L147 HydrophobicContact CD2-CD1 3.97Å; L74-L147 HydrophobicContact CD2-CD2 3.99Å; L74-L147 HydrophobicContact CG-CD1 4.48Å; L74-F151 HydrophobicContact CD1-CE1 4.47Å; L74-F151 HydrophobicContact CD1-CZ 3.85Å
75L92.8Very high88.3Confident0 Ų059.3 Ų59.30%031%0.308CS..Hα-helixtrans-61.6-41.4175.3177.355.5000111.8I9 L71 R72 M73 I78 K79 I82 L90I9-L75 HydrophobicContact CG2-CD2 4.34Å; L71-L75 PolarHBondContact O-N 3.14Å; R72-L75 PolarHBondContact O-N 3.16Å; M73-L75 VanDerWaalsContact C-N 3.31Å; M73-L75 PolarHBondContact O-N 2.99Å; L75-I78 HydrophobicContact CD1-CD1 4.31Å; L75-I78 HydrophobicContact CD1-CG1 4.36Å; L75-I78 WeakPolarHBondContact O-CG1 3.25Å; L75-I78 PolarHBondContact O-N 2.67Å; L75-K79 WeakPolarHBondContact O-CB 3.41Å; L75-K79 PolarHBondContact O-N 2.7Å; L75-K79 VanDerWaalsContact O-N 3.07Å; L75-I82 HydrophobicContact CD1-CD1 4.24Å; L75-L90 HydrophobicContact CB-CB 4.22Å; L75-L90 HydrophobicContact CB-CD2 4.26Å; L75-L90 HydrophobicContact CD1-CB 4.08Å; L75-L90 HydrophobicContact CD2-CB 3.92Å; L75-L90 HydrophobicContact CG-CB 4.28Å
76C89.3Confident87.2Confident63 Ų6363.4 Ų63.443%0.42633%0.329SS..Hα-helixtrans-63.5-40.4176.3-71.50000112.4R72 M73 L74 I78 K79R72-C76 PolarHBondContact O-N 3.3Å; R72-C76 PolarHBondContact O-SG 3.3Å; R72-C76 VanDerWaalsContact O-SG 3.38Å; M73-C76 WeakPolarHBondContact O-CB 3.37Å; M73-C76 PolarHBondContact O-N 3.32Å; L74-C76 VanDerWaalsContact C-N 3.34Å; C76-I78 VanDerWaalsContact C-N 3.32Å; C76-I78 PolarHBondContact O-N 2.96Å; C76-K79 WeakPolarHBondContact O-CB 3.04Å; C76-K79 PolarHBondContact O-N 3.33Å
77D88.8Confident86.3Confident105 Ų10564 Ų6456%0.56134%0.339SS*.Hα-helixtrans-66.5-33.6-179.1-69.1-18.8000112.9M73 L74M73-D77 PolarHBondContact O-N 2.85Å; L74-D77 PolarHBondContact O-N 3.04Å
78I88.4Confident85.9Confident0 Ų063.9 Ų63.90%034%0.338CS..Hα-helixtrans-90.5-13.8-179.566.8169.7000112.7L74 L75 C76 P80 Q81 I82 I112 I137 W141L74-I78 WeakPolarHBondContact O-CG1 3.49Å; L74-I78 WeakPolarHBondContact O-CG2 3.36Å; L74-I78 PolarHBondContact O-N 3.04Å; L75-I78 HydrophobicContact CD1-CD1 4.31Å; L75-I78 HydrophobicContact CD1-CG1 4.36Å; L75-I78 WeakPolarHBondContact O-CG1 3.25Å; L75-I78 PolarHBondContact O-N 2.67Å; C76-I78 VanDerWaalsContact C-N 3.32Å; C76-I78 PolarHBondContact O-N 2.96Å; I78-P80 VanDerWaalsContact C-N 3.32Å; I78-Q81 WeakPolarHBondContact O-CA 3.47Å; I78-Q81 VanDerWaalsContact O-CB 3.25Å; I78-Q81 WeakPolarHBondContact O-CB 3.47Å; I78-Q81 PolarHBondContact O-N 3.39Å; I78-I82 HydrophobicContact CD1-CD1 4.07Å; I78-I82 HydrophobicContact CG1-CD1 4.03Å; I78-I82 PolarHBondContact O-N 2.88Å; I78-I112 HydrophobicContact CD1-CD1 3.82Å; I78-I112 HydrophobicContact CD1-CG1 4.3Å; I78-I137 HydrophobicContact CB-CD1 4.28Å; I78-I137 HydrophobicContact CB-CG1 4.13Å; I78-I137 HydrophobicContact CB-CG2 4.29Å; I78-I137 HydrophobicContact CD1-CD1 4.06Å; I78-I137 HydrophobicContact CD1-CG2 4.28Å; I78-I137 HydrophobicContact CG2-CB 4.41Å; I78-I137 HydrophobicContact CG2-CG1 4.25Å; I78-I137 HydrophobicContact CG2-CG2 3.63Å; I78-W141 HydrophobicContact CD1-CZ2 4.01Å; I78-W141 HydrophobicContact CG2-CZ2 3.96Å
79K85.1Confident85.8Confident75 Ų7565.9 Ų65.933%0.32635%0.351SS..G310 helixtrans-49.8-42.8-177.5-171.7-177.9174.6178.10113.8L75 C76 Q81 I82 D86L75-K79 WeakPolarHBondContact O-CB 3.41Å; L75-K79 PolarHBondContact O-N 2.7Å; L75-K79 VanDerWaalsContact O-N 3.07Å; C76-K79 WeakPolarHBondContact O-CB 3.04Å; C76-K79 PolarHBondContact O-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.4Å; K79-Q81 VanDerWaalsContact O-N 3.11Å; K79-I82 PolarHBondContact O-N 3.17Å; K79-I82 VanDerWaalsContact O-N 3.15Å; K79-D86 WeakPolarHBondContact CE-OD1 3.29Å; K79-D86 WeakPolarHBondContact CE-OD2 3.44Å; K79-D86 IonicContact NZ-OD1 3.2Å; K79-D86 PolarHBondContact NZ-OD1 3.32Å; K79-D86 IonicContact NZ-OD2 2.85Å; K79-D86 PolarHBondContact NZ-OD2 3.38Å
80P85.1Confident85.8Confident116 Ų11660 Ų6075%0.75333%0.329SS*.G310 helixtrans-64.3-15.6177.1-20.634.2000114.3I78I78-P80 VanDerWaalsContact C-N 3.32Å
81Q85.6Confident85.9Confident66 Ų6661.6 Ų61.631%0.30833%0.334SS..G310 helixtrans-94.4-10.9-178.9-46.7-17641.700112.4I78 K79 K136 I137 T140I78-Q81 WeakPolarHBondContact O-CA 3.47Å; I78-Q81 VanDerWaalsContact O-CB 3.25Å; I78-Q81 WeakPolarHBondContact O-CB 3.47Å; I78-Q81 PolarHBondContact O-N 3.39Å; K79-Q81 PolarHBondContact O-N 3.4Å; K79-Q81 VanDerWaalsContact O-N 3.11Å; Q81-K136 PolarHBondContact OE1-O 2.98Å; Q81-I137 HydrophobicContact CB-CG1 4.41Å; Q81-T140 PolarHBondContact NE2-OG1 2.82Å; Q81-T140 PolarHBondContact OE1-OG1 3.01Å
82I82.4Confident85.9Confident28 Ų2861.7 Ų61.714%0.14434%0.335CS..SBendtrans-92.9128.8-178.9-56.2169.3000109.1L75 I78 K79 T84 I112 N113L75-I82 HydrophobicContact CD1-CD1 4.24Å; I78-I82 HydrophobicContact CD1-CD1 4.07Å; I78-I82 HydrophobicContact CG1-CD1 4.03Å; I78-I82 PolarHBondContact O-N 2.88Å; K79-I82 PolarHBondContact O-N 3.17Å; K79-I82 VanDerWaalsContact O-N 3.15Å; I82-T84 HydrophobicContact CG2-CG2 4.09Å; I82-T84 WeakPolarHBondContact CG2-OG1 3.27Å; I82-T84 PolarHBondContact O-N 2.99Å; I82-I112 HydrophobicContact CD1-CG2 3.54Å; I82-I112 HydrophobicContact CG1-CG2 4.09Å; I82-I112 HydrophobicContact CG2-CG2 4.34Å; I82-N113 WeakPolarHBondContact CG2-ND2 3.14Å
83K70.8Confident86.1Confident171 Ų17161.9 Ų61.974%0.74334%0.339SS*.  trans-8151.3-179.5-61.5177-172.8158.40113E133K83-E133 IonicContact NZ-OE1 2.78Å; K83-E133 PolarHBondContact NZ-OE1 2.77Å
84T68.3Low86.3Confident67 Ų6757 Ų5741%0.41131%0.314SS..  trans-134.5136.3179.360.30000112.3I82 N113I82-T84 HydrophobicContact CG2-CG2 4.09Å; I82-T84 WeakPolarHBondContact CG2-OG1 3.27Å; I82-T84 PolarHBondContact O-N 2.99Å; T84-N113 VanDerWaalsContact CG2-ND2 3.33Å; T84-N113 WeakPolarHBondContact CG2-ND2 3.47Å; T84-N113 PolarHBondContact OG1-ND2 3.11Å
85S64.3Low86.5Confident121 Ų12158.7 Ų58.785%0.84632%0.321SS*.SBendtrans-69.4125.5162.856.90000108.7
86D71.5Confident86.7Confident86 Ų8658.7 Ų58.746%0.4632%0.321SS..SBendtrans-37.4150.7-176.4-88.4-52.6000117.1K79K79-D86 WeakPolarHBondContact CE-OD1 3.29Å; K79-D86 WeakPolarHBondContact CE-OD2 3.44Å; K79-D86 IonicContact NZ-OD1 3.2Å; K79-D86 PolarHBondContact NZ-OD1 3.32Å; K79-D86 IonicContact NZ-OD2 2.85Å; K79-D86 PolarHBondContact NZ-OD2 3.38Å
87P76.8Confident87Confident83 Ų8358.5 Ų58.554%0.53931%0.314SS..  cis-100.6136.88.94.415.9000114.7L12L12-P87 HydrophobicContact CB-CB 4.26Å
88S88.9Confident87.1Confident1 Ų154 Ų541%0.00729%0.29CS..  trans-81.4148.7173.9-49.40000113.4S11 N113S11-S88 PolarHBondContact N-O 2.74Å; S11-S88 PolarHBondContact OG-N 3.37Å; S11-S88 PolarHBondContact OG-O 3.39Å; S88-N113 WeakPolarHBondContact CA-OD1 3.39Å
89T93.6Very high87Confident42 Ų4259 Ų5926%0.25831%0.313SS..EExtended strand (participates in β ladder)trans-122.8147.1175.263.80000111.4I9 K10 N113I9-T89 CarbonylContact O-C 3.52Å; I9-T89 VanDerWaalsContact O-CA 3.29Å; I9-T89 WeakPolarHBondContact O-CA 3.02Å; K10-T89 HydrophobicContact CG-CG2 4.38Å; T89-N113 PolarHBondContact N-OD1 3.28Å; T89-N113 PolarHBondContact O-N 3.43Å; T89-N113 WeakPolarHBondContact OG1-CA 3.34Å
90L95.9Very high86.9Confident0 Ų060.2 Ų60.20%034%0.337CS..EExtended strand (participates in β ladder)trans-123.8116.6171.5-177.168.5000108.4I9 L71 L75 V92 F110 I112I9-L90 HydrophobicContact CB-CB 4.28Å; I9-L90 PolarHBondContact N-O 2.89Å; I9-L90 PolarHBondContact O-N 3Å; L71-L90 HydrophobicContact CB-CD2 4.43Å; L75-L90 HydrophobicContact CB-CB 4.22Å; L75-L90 HydrophobicContact CB-CD2 4.26Å; L75-L90 HydrophobicContact CD1-CB 4.08Å; L75-L90 HydrophobicContact CD2-CB 3.92Å; L75-L90 HydrophobicContact CG-CB 4.28Å; L90-V92 HydrophobicContact CD1-CG2 4.34Å; L90-V92 HydrophobicContact CD2-CG2 3.87Å; L90-V92 HydrophobicContact CG-CG2 3.67Å; L90-F110 HydrophobicContact CD1-CB 4.39Å; L90-F110 HydrophobicContact CD1-CD1 4.39Å; L90-I112 HydrophobicContact CD1-CG1 3.88Å
91Q97.9Very high86.4Confident81 Ų8162 Ų6238%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-101.2133.6170.1-62.4172.6-58.900108.5F7 T8 F110 A111F7-Q91 CarbonylContact O-C 3.55Å; F7-Q91 VanDerWaalsContact O-CA 3.27Å; F7-Q91 WeakPolarHBondContact O-CA 3.47Å; T8-Q91 HydrophobicContact CG2-CG 4.4Å; Q91-F110 WeakPolarHBondContact O-CA 3.4Å; Q91-A111 HydrophobicContact CB-CB 4.23Å; Q91-A111 PolarHBondContact N-O 3.27Å; Q91-A111 PolarHBondContact O-N 2.83Å
92V98.3Very high86.4Confident3 Ų368 Ų682%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-133.3127.2-175.6-171.90000109.4N6 F7 L71 L90 W108 Q109 F110N6-V92 CarbonylContact C-O 3.54Å; N6-V92 WeakPolarHBondContact CA-O 3.45Å; F7-V92 HydrophobicContact CB-CB 4.22Å; F7-V92 PolarHBondContact N-O 2.82Å; F7-V92 PolarHBondContact O-N 2.84Å; L71-V92 HydrophobicContact CD1-CB 4Å; L71-V92 HydrophobicContact CD1-CG1 4.32Å; L71-V92 HydrophobicContact CD1-CG2 3.84Å; L71-V92 HydrophobicContact CD2-CG1 4.39Å; L71-V92 HydrophobicContact CD2-CG2 3.98Å; L71-V92 HydrophobicContact CG-CG2 4.45Å; L90-V92 HydrophobicContact CD1-CG2 4.34Å; L90-V92 HydrophobicContact CD2-CG2 3.87Å; L90-V92 HydrophobicContact CG-CG2 3.67Å; V92-W108 HydrophobicContact CG1-CE3 3.44Å; V92-W108 VanDerWaalsContact CG1-CE3 3.44Å; V92-W108 HydrophobicContact CG1-CZ3 3.8Å; V92-Q109 CarbonylContact C-O 3.6Å; V92-Q109 VanDerWaalsContact CA-O 3.31Å; V92-Q109 WeakPolarHBondContact CA-O 3.45Å; V92-F110 HydrophobicContact CB-CD1 4.42Å; V92-F110 HydrophobicContact CG1-CD1 3.92Å; V92-F110 HydrophobicContact CG1-CE1 3.77Å; V92-F110 HydrophobicContact CG1-CZ 4.43Å; V92-F110 HydrophobicContact CG2-CD1 3.74Å; V92-F110 HydrophobicContact CG2-CE1 4.12Å
93E98.5Very high86.6Confident69 Ų6967.6 Ų67.632%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-108.3108.5171.2177.2175.268.300108C4 F5 N6 W108 Q109C4-E93 VanDerWaalsContact SG-CG 3.56Å; F5-E93 CarbonylContact O-C 3.56Å; F5-E93 VanDerWaalsContact O-CA 3.32Å; F5-E93 WeakPolarHBondContact O-CA 3.21Å; N6-E93 WeakPolarHBondContact OD1-CG 3.5Å; E93-W108 CarbonylContact O-C 3.58Å; E93-W108 WeakPolarHBondContact O-CA 3.41Å; E93-Q109 HydrophobicContact CB-CB 4.28Å; E93-Q109 PolarHBondContact N-O 3.16Å; E93-Q109 PolarHBondContact O-N 2.92Å; E93-Q109 PolarHBondContact OE1-NE2 3.19Å
94M98.1Very high87.7Confident4 Ų462.4 Ų62.42%0.0234%0.337CS..EExtended strand (participates in β ladder)trans-94.9132.8167.4174.7-168.558.600108.6C4 F5 S107 W108 L154C4-M94 CarbonylContact C-O 3.6Å; C4-M94 WeakPolarHBondContact CA-O 3.31Å; F5-M94 HydrophobicContact CB-CB 4.26Å; F5-M94 HydrophobicContact CB-CE 3.73Å; F5-M94 HydrophobicContact CD1-CE 3.86Å; F5-M94 HydrophobicContact CD2-CE 3.17Å; F5-M94 HydrophobicContact CE1-CE 4.24Å; F5-M94 HydrophobicContact CE2-CE 3.56Å; F5-M94 HydrophobicContact CG-CE 3.32Å; F5-M94 HydrophobicContact CZ-CE 4.1Å; F5-M94 PolarHBondContact N-O 3Å; F5-M94 PolarHBondContact O-N 3.04Å; M94-S107 WeakPolarHBondContact CA-O 3.44Å; M94-W108 HydrophobicContact CB-CD2 3.9Å; M94-W108 HydrophobicContact CB-CE3 3.98Å; M94-W108 HydrophobicContact CB-CH2 4.04Å; M94-W108 HydrophobicContact CB-CZ2 3.99Å; M94-W108 HydrophobicContact CB-CZ3 4.04Å; M94-W108 HydrophobicContact CG-CD2 4.04Å; M94-W108 HydrophobicContact CG-CH2 4.16Å; M94-W108 HydrophobicContact CG-CZ2 3.63Å; M94-W108 HydrophobicContact SD-CH2 3.77Å; M94-W108 HydrophobicContact SD-CZ2 3.23Å; M94-W108 WeakPolarHBondContact SD-CZ2 3.31Å; M94-L154 HydrophobicContact SD-CB 4.08Å
95F96.4Very high88.9Confident51 Ų5159.8 Ų59.822%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-129.9141.3-175.1173.1-96.7000110.7C4 Q97 A106 S107C4-F95 HydrophobicContact CB-CD2 4.45Å; F95-Q97 HydrophobicContact CE1-CB 3.7Å; F95-Q97 HydrophobicContact CZ-CB 3.64Å; F95-Q97 HydrophobicContact CZ-CG 4.45Å; F95-A106 VanDerWaalsContact O-CA 3.25Å; F95-A106 WeakPolarHBondContact O-CA 3.4Å; F95-S107 PolarHBondContact N-O 3.47Å; F95-S107 PolarHBondContact O-N 3.37Å
96C96.8Very high90.5Very high0 Ų054.2 Ų54.20%029%0.285CS..EExtended strand (participates in β ladder)trans-139.4148.2161.573.60000111.8S2 L3 G105 S155 C159S2-C96 CarbonylContact C-O 3.48Å; S2-C96 VanDerWaalsContact CA-O 3.24Å; S2-C96 WeakPolarHBondContact CA-O 3.14Å; S2-C96 WeakPolarHBondContact CB-O 3.41Å; L3-C96 PolarHBondContact N-O 2.89Å; L3-C96 PolarHBondContact O-N 2.85Å; C96-G105 CarbonylContact C-O 3.52Å; C96-G105 VanDerWaalsContact CA-O 3.29Å; C96-G105 WeakPolarHBondContact CA-O 3.35Å; C96-S155 WeakPolarHBondContact CB-O 3.08Å; C96-C159 HydrophobicContact CB-CB 3.74Å; C96-C159 WeakPolarHBondContact CB-SG 3.48Å; C96-C159 WeakPolarHBondContact SG-CB 3.27Å; C96-C159 PolarHBondContact SG-O 3.49Å; C96-C159 VanDerWaalsContact SG-O 3.4Å; C96-C159 CovalentContact SG-SG 2.03Å; C96-C159 PolarHBondContact SG-SG 3.23Å
97Q95.5Very high91.8Very high59 Ų5951.4 Ų51.428%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-134.4140.1-177.8178.81762.300111.3H1 F95 E99 C103 T104 G105H1-Q97 WeakPolarHBondContact O-CA 3.41Å; F95-Q97 HydrophobicContact CE1-CB 3.7Å; F95-Q97 HydrophobicContact CZ-CB 3.64Å; F95-Q97 HydrophobicContact CZ-CG 4.45Å; Q97-E99 PolarHBondContact NE2-OE1 3.15Å; Q97-C103 CarbonylContact O-C 3.48Å; Q97-C103 WeakPolarHBondContact O-CA 3.44Å; Q97-T104 PolarHBondContact O-N 3.22Å; Q97-G105 PolarHBondContact N-O 2.89Å; Q97-G105 PolarHBondContact O-N 2.88Å
98H90.5Very high92.8Very high10 Ų1047.5 Ų47.55%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-119.7138.6174.8-91.1-125.4000113H1 R102 C103 D160 L163 R164H1-H98 PolarHBondContact N-O 2.92Å; H1-H98 PolarHBondContact O-N 2.86Å; H98-R102 VanDerWaalsContact CA-O 3.31Å; H98-R102 WeakPolarHBondContact CA-O 3.21Å; H98-C103 WeakPolarHBondContact NE2-CA 3.46Å; H98-C103 PolarHBondContact NE2-N 3.37Å; H98-D160 IonicContact CE1-OD1 2.74Å; H98-D160 PolarHBondContact CE1-OD1 2.81Å; H98-D160 IonicContact CE1-OD2 3.5Å; H98-D160 PolarHBondContact CE1-OD2 2.85Å; H98-D160 WeakPolarHBondContact NE2-CB 3.29Å; H98-D160 IonicContact NE2-OD1 3.52Å; H98-D160 PolarHBondContact NE2-OD1 2.92Å; H98-D160 IonicContact NE2-OD2 2.74Å; H98-L163 HydrophobicContact CB-CD2 3.81Å; H98-R164 PolarHBondContact CE1-NH2 2.73Å; H98-R164 VanDerWaalsContact CE1-NH2 3.33Å
99E87.7Confident93.2Very high107 Ų10749.2 Ų49.250%0.526%0.255SS..EExtended strand (participates in β ladder)trans-137.3137.8165.6-64.9172.8-166.100108.9Q97 E101 R102 T104Q97-E99 PolarHBondContact NE2-OE1 3.15Å; E99-E101 PolarHBondContact O-N 2.81Å; E99-E101 VanDerWaalsContact O-N 3.13Å; E99-R102 PolarHBondContact N-O 3.11Å; E99-R102 PolarHBondContact O-N 2.97Å; E99-T104 HydrophobicContact CB-CG2 3.84Å; E99-T104 HydrophobicContact CG-CG2 4.33Å
100A81.1Confident93.4Very high99 Ų9947.2 Ų47.282%0.81824%0.242SC*.THydrogen-bonded Turntrans4448.8179.800000113.3R102A100-R102 PolarHBondContact O-N 2.86Å
101E75.4Confident93.5Very high154 Ų15447.7 Ų47.772%0.7225%0.246SC*.THydrogen-bonded Turntrans61.720.1179.9-57.2-177.6-171.900116E99 R164E99-E101 PolarHBondContact O-N 2.81Å; E99-E101 VanDerWaalsContact O-N 3.13Å; E101-R164 PolarHBondContact O-NH1 3.03Å; E101-R164 PolarHBondContact O-NH2 2.92Å
102R84.8Confident93.2Very high192 Ų19244.5 Ų44.573%0.72523%0.231SC*.EExtended strand (participates in β ladder)trans-124.9140.9175.4-64.4-178.6179.2-178.10.1110.7H98 E99 A100 T104H98-R102 VanDerWaalsContact CA-O 3.31Å; H98-R102 WeakPolarHBondContact CA-O 3.21Å; E99-R102 PolarHBondContact N-O 3.11Å; E99-R102 PolarHBondContact O-N 2.97Å; A100-R102 PolarHBondContact O-N 2.86Å; R102-T104 PolarHBondContact O-N 2.8Å
103C87.8Confident92.9Very high20 Ų2047.1 Ų47.114%0.13525%0.245CC..EExtended strand (participates in β ladder)trans-64.3112.9167.5-1780000109.4Q97 H98 D160Q97-C103 CarbonylContact O-C 3.48Å; Q97-C103 WeakPolarHBondContact O-CA 3.44Å; H98-C103 WeakPolarHBondContact NE2-CA 3.46Å; H98-C103 PolarHBondContact NE2-N 3.37Å; C103-D160 WeakPolarHBondContact CB-OD1 3.43Å
104T92.8Very high92.5Very high61 Ų6146.1 Ų46.137%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-105.9-17.2-179.453.30000113.2Q97 E99 R102Q97-T104 PolarHBondContact O-N 3.22Å; E99-T104 HydrophobicContact CB-CG2 3.84Å; E99-T104 HydrophobicContact CG-CG2 4.33Å; R102-T104 PolarHBondContact O-N 2.8Å
105G95.1Very high92.3Very high13 Ų1351.4 Ų51.413%0.13428%0.278CS..EExtended strand (participates in β ladder)trans-149.7140.217800000111.2C96 Q97C96-G105 CarbonylContact C-O 3.52Å; C96-G105 VanDerWaalsContact CA-O 3.29Å; C96-G105 WeakPolarHBondContact CA-O 3.35Å; Q97-G105 PolarHBondContact N-O 2.89Å; Q97-G105 PolarHBondContact O-N 2.88Å
106A97.4Very high92.2Very high4 Ų454.4 Ų54.43%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-156.2135.3173.600000109.7F95 T122 M123F95-A106 VanDerWaalsContact O-CA 3.25Å; F95-A106 WeakPolarHBondContact O-CA 3.4Å; A106-T122 WeakPolarHBondContact CB-OG1 3.38Å; A106-T122 PolarHBondContact O-N 3.44Å; A106-T122 VanDerWaalsContact O-N 3.12Å; A106-T122 PolarHBondContact O-OG1 2.9Å; A106-M123 HydrophobicContact CB-CG 4.28Å; A106-M123 HydrophobicContact CB-SD 4.09Å
107S98Very high92.1Very high27 Ų2754.7 Ų54.719%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-159.9163.9-177.361.40000113.4M94 F95 F120M94-S107 WeakPolarHBondContact CA-O 3.44Å; F95-S107 PolarHBondContact N-O 3.47Å; F95-S107 PolarHBondContact O-N 3.37Å; S107-F120 CarbonylContact C-O 3.54Å; S107-F120 VanDerWaalsContact CA-O 3.22Å; S107-F120 WeakPolarHBondContact CA-O 3.42Å; S107-F120 WeakPolarHBondContact CB-O 3.47Å
108W98.4Very high92.2Very high0 Ų051.9 Ų51.90%028%0.28CS..EExtended strand (participates in β ladder)trans-128.7121.7169.3-68.970.1000110V67 L71 V92 E93 M94 F110 L119 F120 F151 L154V67-W108 HydrophobicContact CG1-CH2 4.07Å; V67-W108 HydrophobicContact CG1-CZ3 4.4Å; L71-W108 HydrophobicContact CD2-CZ3 4.22Å; V92-W108 HydrophobicContact CG1-CE3 3.44Å; V92-W108 VanDerWaalsContact CG1-CE3 3.44Å; V92-W108 HydrophobicContact CG1-CZ3 3.8Å; E93-W108 CarbonylContact O-C 3.58Å; E93-W108 WeakPolarHBondContact O-CA 3.41Å; M94-W108 HydrophobicContact CB-CD2 3.9Å; M94-W108 HydrophobicContact CB-CE3 3.98Å; M94-W108 HydrophobicContact CB-CH2 4.04Å; M94-W108 HydrophobicContact CB-CZ2 3.99Å; M94-W108 HydrophobicContact CB-CZ3 4.04Å; M94-W108 HydrophobicContact CG-CD2 4.04Å; M94-W108 HydrophobicContact CG-CH2 4.16Å; M94-W108 HydrophobicContact CG-CZ2 3.63Å; M94-W108 HydrophobicContact SD-CH2 3.77Å; M94-W108 HydrophobicContact SD-CZ2 3.23Å; M94-W108 WeakPolarHBondContact SD-CZ2 3.31Å; W108-F110 HydrophobicContact CB-CE2 3.58Å; W108-F110 HydrophobicContact CB-CZ 3.69Å; W108-F110 HydrophobicContact CD2-CZ 4.48Å; W108-F110 HydrophobicContact CE3-CE1 4.33Å; W108-F110 HydrophobicContact CE3-CZ 4.1Å; W108-F110 HydrophobicContact CG-CZ 4.37Å; W108-L119 CarbonylContact O-C 3.58Å; W108-L119 WeakPolarHBondContact O-CA 3.24Å; W108-F120 HydrophobicContact CB-CB 4.33Å; W108-F120 PolarHBondContact N-O 2.85Å; W108-F120 PolarHBondContact O-N 3.02Å; W108-F151 HydrophobicContact CD2-CB 4.38Å; W108-F151 AromaticContact CD2-CD1 3.61Å; W108-F151 HydrophobicContact CD2-CD1 3.61Å; W108-F151 HydrophobicContact CD2-CE1 4.1Å; W108-F151 HydrophobicContact CD2-CG 4.08Å; W108-F151 AromaticContact CE2-CD1 3.51Å; W108-F151 AromaticContact CE3-CD1 3.82Å; W108-F151 HydrophobicContact CE3-CD1 3.82Å; W108-F151 AromaticContact CE3-CE1 3.84Å; W108-F151 HydrophobicContact CE3-CE1 3.84Å; W108-F151 HydrophobicContact CG-CB 4.3Å; W108-F151 HydrophobicContact CG-CD1 4.23Å; W108-F151 HydrophobicContact CG-CG 4.22Å; W108-F151 AromaticContact CH2-CD1 3.92Å; W108-F151 HydrophobicContact CH2-CD1 3.92Å; W108-F151 HydrophobicContact CH2-CE1 4.2Å; W108-F151 AromaticContact CZ2-CD1 3.67Å; W108-F151 HydrophobicContact CZ2-CD1 3.67Å; W108-F151 HydrophobicContact CZ2-CE1 4.4Å; W108-F151 AromaticContact CZ3-CD1 3.99Å; W108-F151 HydrophobicContact CZ3-CD1 3.99Å; W108-F151 AromaticContact CZ3-CE1 3.91Å; W108-F151 HydrophobicContact CZ3-CE1 3.91Å; W108-F151 PolarHBondContact NE1-O 3.21Å; W108-L154 HydrophobicContact CH2-CD1 3.97Å; W108-L154 HydrophobicContact CZ2-CB 3.85Å; W108-L154 HydrophobicContact CZ2-CD1 3.82Å
109Q98.4Very high92.6Very high38 Ų3854 Ų5418%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-109.7131.5174.4-178.2-173.4-111.200109.5V92 E93 L119V92-Q109 CarbonylContact C-O 3.6Å; V92-Q109 VanDerWaalsContact CA-O 3.31Å; V92-Q109 WeakPolarHBondContact CA-O 3.45Å; E93-Q109 HydrophobicContact CB-CB 4.28Å; E93-Q109 PolarHBondContact N-O 3.16Å; E93-Q109 PolarHBondContact O-N 2.92Å; E93-Q109 PolarHBondContact OE1-NE2 3.19Å; Q109-L119 HydrophobicContact CB-CD1 4.08Å
110F97.5Very high93Very high0 Ų048.9 Ų48.90%027%0.268CS..EExtended strand (participates in β ladder)trans-116130.2-177.1-55.5-93.4000109.8L71 L90 Q91 V92 W108 S117 L118 F120 W127 W141 F151L71-F110 HydrophobicContact CD2-CE1 4.3Å; L90-F110 HydrophobicContact CD1-CB 4.39Å; L90-F110 HydrophobicContact CD1-CD1 4.39Å; Q91-F110 WeakPolarHBondContact O-CA 3.4Å; V92-F110 HydrophobicContact CB-CD1 4.42Å; V92-F110 HydrophobicContact CG1-CD1 3.92Å; V92-F110 HydrophobicContact CG1-CE1 3.77Å; V92-F110 HydrophobicContact CG1-CZ 4.43Å; V92-F110 HydrophobicContact CG2-CD1 3.74Å; V92-F110 HydrophobicContact CG2-CE1 4.12Å; W108-F110 HydrophobicContact CB-CE2 3.58Å; W108-F110 HydrophobicContact CB-CZ 3.69Å; W108-F110 HydrophobicContact CD2-CZ 4.48Å; W108-F110 HydrophobicContact CE3-CE1 4.33Å; W108-F110 HydrophobicContact CE3-CZ 4.1Å; W108-F110 HydrophobicContact CG-CZ 4.37Å; F110-S117 PolarHBondContact O-N 2.85Å; F110-L118 HydrophobicContact CB-CB 4.33Å; F110-L118 HydrophobicContact CD2-CB 4.1Å; F110-L118 PolarHBondContact N-O 2.92Å; F110-L118 PolarHBondContact O-N 3.35Å; F110-F120 HydrophobicContact CE2-CB 4.42Å; F110-W127 HydrophobicContact CD2-CH2 4.47Å; F110-W127 HydrophobicContact CD2-CZ3 4.03Å; F110-W127 AromaticContact CE2-CH2 3.71Å; F110-W127 HydrophobicContact CE2-CH2 3.71Å; F110-W127 AromaticContact CE2-CZ3 3.66Å; F110-W127 HydrophobicContact CE2-CZ3 3.66Å; F110-W127 HydrophobicContact CZ-CH2 4.18Å; F110-W141 AromaticContact CD1-CH2 3.79Å; F110-W141 HydrophobicContact CD1-CH2 3.79Å; F110-W141 AromaticContact CD1-CZ3 3.78Å; F110-W141 HydrophobicContact CD1-CZ3 3.78Å; F110-W141 HydrophobicContact CD2-CZ3 4.03Å; F110-W141 HydrophobicContact CE1-CH2 4.11Å; F110-W141 AromaticContact CE1-CZ3 3.91Å; F110-W141 HydrophobicContact CE1-CZ3 3.91Å; F110-W141 HydrophobicContact CE2-CZ3 4.16Å; F110-W141 HydrophobicContact CG-CH2 4.16Å; F110-W141 AromaticContact CG-CZ3 3.85Å; F110-W141 HydrophobicContact CG-CZ3 3.85Å; F110-W141 HydrophobicContact CZ-CZ3 4.1Å; F110-F151 AromaticContact CE1-CZ 3.99Å; F110-F151 HydrophobicContact CE1-CZ 3.99Å; F110-F151 HydrophobicContact CZ-CD2 4.45Å; F110-F151 HydrophobicContact CZ-CE1 4.22Å; F110-F151 AromaticContact CZ-CE2 3.74Å; F110-F151 HydrophobicContact CZ-CE2 3.74Å; F110-F151 AromaticContact CZ-CZ 3.6Å; F110-F151 HydrophobicContact CZ-CZ 3.6Å
111A96.3Very high93.8Very high10 Ų1046.4 Ų46.48%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-120.5129168.900000109.9Q91 E115 K116Q91-A111 HydrophobicContact CB-CB 4.23Å; Q91-A111 PolarHBondContact N-O 3.27Å; Q91-A111 PolarHBondContact O-N 2.83Å; A111-E115 CarbonylContact C-O 3.59Å; A111-E115 WeakPolarHBondContact CA-O 3.19Å; A111-E115 WeakPolarHBondContact CB-O 3.08Å; A111-K116 HydrophobicContact CB-CG 4.45Å
112I93.3Very high94.7Very high13 Ų1339.1 Ų39.17%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-108.1125.4-177.4-61.8166.8000106.7I78 I82 L90 G114 E115 I137I78-I112 HydrophobicContact CD1-CD1 3.82Å; I78-I112 HydrophobicContact CD1-CG1 4.3Å; I82-I112 HydrophobicContact CD1-CG2 3.54Å; I82-I112 HydrophobicContact CG1-CG2 4.09Å; I82-I112 HydrophobicContact CG2-CG2 4.34Å; L90-I112 HydrophobicContact CD1-CG1 3.88Å; I112-G114 PolarHBondContact O-N 3.26Å; I112-G114 VanDerWaalsContact O-N 3.15Å; I112-E115 PolarHBondContact N-O 3.42Å; I112-E115 PolarHBondContact O-N 3.06Å; I112-I137 HydrophobicContact CD1-CD1 3.35Å
113N91Very high95.2Very high58 Ų5833 Ų3331%0.3119%0.187SC..THydrogen-bonded Turntrans52.633.9-176.3-60.3-24.1000113.6I82 T84 S88 T89 E115I82-N113 WeakPolarHBondContact CG2-ND2 3.14Å; T84-N113 VanDerWaalsContact CG2-ND2 3.33Å; T84-N113 WeakPolarHBondContact CG2-ND2 3.47Å; T84-N113 PolarHBondContact OG1-ND2 3.11Å; S88-N113 WeakPolarHBondContact CA-OD1 3.39Å; T89-N113 PolarHBondContact N-OD1 3.28Å; T89-N113 PolarHBondContact O-N 3.43Å; T89-N113 WeakPolarHBondContact OG1-CA 3.34Å; N113-E115 VanDerWaalsContact C-N 3.33Å
114G91.2Very high95.5Very high48 Ų4837.3 Ų37.350%0.49521%0.209SC..THydrogen-bonded Turntrans87.1-8.4-178.500000115.2I112I112-G114 PolarHBondContact O-N 3.26Å; I112-G114 VanDerWaalsContact O-N 3.15Å
115E92.5Very high95.5Very high115 Ų11537.5 Ų37.554%0.53721%0.206SC..EExtended strand (participates in β ladder)trans-98.3121.5179.9-65.9-171.7-178.800112A111 I112 N113 S117 N131A111-E115 CarbonylContact C-O 3.59Å; A111-E115 WeakPolarHBondContact CA-O 3.19Å; A111-E115 WeakPolarHBondContact CB-O 3.08Å; I112-E115 PolarHBondContact N-O 3.42Å; I112-E115 PolarHBondContact O-N 3.06Å; N113-E115 VanDerWaalsContact C-N 3.33Å; E115-S117 PolarHBondContact O-N 3.27Å; E115-S117 VanDerWaalsContact O-N 3.16Å; E115-S117 PolarHBondContact O-OG 3.44Å; E115-N131 PolarHBondContact OE2-ND2 2.89Å
116K95.6Very high95.5Very high115 Ų11540.4 Ų40.450%0.522%0.221SC..EExtended strand (participates in β ladder)trans-56121.9174.1-70.4-169.5176.4-158.90110.1A111 I130A111-K116 HydrophobicContact CB-CG 4.45Å; K116-I130 HydrophobicContact CB-CD1 4.24Å; K116-I130 HydrophobicContact CB-CG2 4.15Å
117S94.8Very high95.4Very high5 Ų540.7 Ų40.74%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-118.3-53.1-165.8-710000111.9F110 E115 I130 N131F110-S117 PolarHBondContact O-N 2.85Å; E115-S117 PolarHBondContact O-N 3.27Å; E115-S117 VanDerWaalsContact O-N 3.16Å; E115-S117 PolarHBondContact O-OG 3.44Å; S117-I130 WeakPolarHBondContact O-CB 3.5Å; S117-I130 PolarHBondContact O-N 3.2Å; S117-N131 PolarHBondContact O-N 3.18Å
118L96.9Very high95.3Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-136.3148.7-175.2-61.8174.9000110.9F110 W127 V129 A134 I137 K138 W141F110-L118 HydrophobicContact CB-CB 4.33Å; F110-L118 HydrophobicContact CD2-CB 4.1Å; F110-L118 PolarHBondContact N-O 2.92Å; F110-L118 PolarHBondContact O-N 3.35Å; L118-W127 HydrophobicContact CB-CE3 4.24Å; L118-W127 HydrophobicContact CB-CZ3 4.1Å; L118-W127 HydrophobicContact CD1-CE3 4.38Å; L118-W127 HydrophobicContact CD1-CZ3 4.1Å; L118-V129 HydrophobicContact CD2-CB 4.38Å; L118-V129 HydrophobicContact CD2-CG1 4.43Å; L118-V129 HydrophobicContact CD2-CG2 4.02Å; L118-A134 HydrophobicContact CD2-CB 3.96Å; L118-A134 HydrophobicContact CG-CB 4.04Å; L118-I137 HydrophobicContact CD1-CB 4.4Å; L118-I137 HydrophobicContact CD1-CG2 3.9Å; L118-K138 HydrophobicContact CD1-CB 4.28Å; L118-K138 HydrophobicContact CD2-CB 3.88Å; L118-W141 HydrophobicContact CD1-CE3 3.87Å; L118-W141 HydrophobicContact CD1-CZ3 3.82Å
119L97.8Very high95.3Very high55 Ų5544.9 Ų44.929%0.28825%0.246SC..EExtended strand (participates in β ladder)trans-126.2128166.9173.768.8000108.3W108 Q109 W127 T128 I130W108-L119 CarbonylContact O-C 3.58Å; W108-L119 WeakPolarHBondContact O-CA 3.24Å; Q109-L119 HydrophobicContact CB-CD1 4.08Å; L119-W127 WeakPolarHBondContact O-CA 3.22Å; L119-T128 PolarHBondContact N-O 2.74Å; L119-T128 PolarHBondContact O-N 3.05Å; L119-I130 HydrophobicContact CB-CD1 4.13Å
120F97.4Very high95.1Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-109.6109.3170.1-174.6-134.8000109.3S107 W108 F110 T122 M125 T126 W127 E148 F151S107-F120 CarbonylContact C-O 3.54Å; S107-F120 VanDerWaalsContact CA-O 3.22Å; S107-F120 WeakPolarHBondContact CA-O 3.42Å; S107-F120 WeakPolarHBondContact CB-O 3.47Å; W108-F120 HydrophobicContact CB-CB 4.33Å; W108-F120 PolarHBondContact N-O 2.85Å; W108-F120 PolarHBondContact O-N 3.02Å; F110-F120 HydrophobicContact CE2-CB 4.42Å; F120-T122 HydrophobicContact CD1-CG2 3.47Å; F120-T122 VanDerWaalsContact CD1-CG2 3.47Å; F120-T122 HydrophobicContact CE1-CG2 3.54Å; F120-T122 HydrophobicContact CG-CG2 4.33Å; F120-T122 HydrophobicContact CZ-CG2 4.43Å; F120-T122 PolarHBondContact O-N 3.01Å; F120-M125 HydrophobicContact CZ-CE 3.98Å; F120-M125 HydrophobicContact CZ-SD 4.01Å; F120-T126 WeakPolarHBondContact CD2-O 3.29Å; F120-W127 HydrophobicContact CB-CD2 3.94Å; F120-W127 HydrophobicContact CB-CE3 3.77Å; F120-W127 HydrophobicContact CB-CH2 3.8Å; F120-W127 HydrophobicContact CB-CZ2 3.96Å; F120-W127 HydrophobicContact CB-CZ3 3.71Å; F120-W127 HydrophobicContact CD1-CZ2 4.05Å; F120-W127 AromaticContact CD2-CD1 3.54Å; F120-W127 AromaticContact CD2-CD2 3.61Å; F120-W127 HydrophobicContact CD2-CD2 3.61Å; F120-W127 AromaticContact CD2-CE2 3.4Å; F120-W127 VanDerWaalsContact CD2-CE2 3.4Å; F120-W127 HydrophobicContact CD2-CE3 4.34Å; F120-W127 AromaticContact CD2-CG 3.73Å; F120-W127 HydrophobicContact CD2-CG 3.73Å; F120-W127 AromaticContact CD2-CZ2 3.97Å; F120-W127 HydrophobicContact CD2-CZ2 3.97Å; F120-W127 AromaticContact CD2-NE1 3.37Å; F120-W127 AromaticContact CE2-CD1 3.65Å; F120-W127 HydrophobicContact CE2-CD2 4.41Å; F120-W127 AromaticContact CE2-CE2 3.89Å; F120-W127 HydrophobicContact CE2-CG 4.29Å; F120-W127 AromaticContact CE2-NE1 3.4Å; F120-W127 AromaticContact CG-CD2 3.98Å; F120-W127 HydrophobicContact CG-CD2 3.98Å; F120-W127 AromaticContact CG-CE2 3.66Å; F120-W127 HydrophobicContact CG-CE3 4.32Å; F120-W127 HydrophobicContact CG-CH2 4.11Å; F120-W127 AromaticContact CG-CZ2 3.74Å; F120-W127 HydrophobicContact CG-CZ2 3.74Å; F120-W127 HydrophobicContact CG-CZ3 4.39Å; F120-E148 HydrophobicContact CE1-CB 4.25Å; F120-E148 HydrophobicContact CE1-CG 4.35Å; F120-E148 HydrophobicContact CE2-CG 4.22Å; F120-E148 HydrophobicContact CZ-CB 3.82Å; F120-E148 HydrophobicContact CZ-CG 3.77Å; F120-F151 HydrophobicContact CD1-CB 3.96Å; F120-F151 AromaticContact CD1-CD2 3.91Å; F120-F151 HydrophobicContact CD1-CD2 3.91Å; F120-F151 HydrophobicContact CD1-CG 4.36Å; F120-F151 HydrophobicContact CE1-CB 3.89Å; F120-F151 HydrophobicContact CE1-CD2 4.21Å
121D96.8Very high94.8Very high46 Ų4648.8 Ų48.825%0.24627%0.267CS..EExtended strand (participates in β ladder)trans-78.7109.7168.7177.6-18.8000108M123 N124 M125 T126D121-M123 VanDerWaalsContact C-N 3.33Å; D121-M123 WeakPolarHBondContact OD1-CA 3.41Å; D121-M123 VanDerWaalsContact OD1-CB 3.24Å; D121-M123 WeakPolarHBondContact OD1-CB 3.36Å; D121-M123 PolarHBondContact OD1-N 2.74Å; D121-N124 PolarHBondContact OD1-N 3.25Å; D121-N124 PolarHBondContact OD2-ND2 3.41Å; D121-M125 CarbonylContact O-C 3.57Å; D121-M125 VanDerWaalsContact O-CA 3.22Å; D121-M125 WeakPolarHBondContact O-CA 3.11Å; D121-M125 PolarHBondContact O-N 3.22Å; D121-T126 PolarHBondContact N-O 2.92Å; D121-T126 PolarHBondContact O-N 3.2Å
122T95.8Very high94.3Very high1 Ų156 Ų561%0.00630%0.299CS..THydrogen-bonded Turntrans-84.2-11.8-177.659.80000112.7A106 F120 F151 S155A106-T122 WeakPolarHBondContact CB-OG1 3.38Å; A106-T122 PolarHBondContact O-N 3.44Å; A106-T122 VanDerWaalsContact O-N 3.12Å; A106-T122 PolarHBondContact O-OG1 2.9Å; F120-T122 HydrophobicContact CD1-CG2 3.47Å; F120-T122 VanDerWaalsContact CD1-CG2 3.47Å; F120-T122 HydrophobicContact CE1-CG2 3.54Å; F120-T122 HydrophobicContact CG-CG2 4.33Å; F120-T122 HydrophobicContact CZ-CG2 4.43Å; F120-T122 PolarHBondContact O-N 3.01Å; T122-F151 HydrophobicContact CG2-CB 4.38Å; T122-S155 WeakPolarHBondContact CB-OG 3.16Å; T122-S155 WeakPolarHBondContact CG2-OG 3.35Å; T122-S155 PolarHBondContact OG1-OG 3.36Å
123M93.9Very high93.9Very high63 Ų6360.7 Ų60.731%0.3132%0.32SS..THydrogen-bonded Turntrans-71-46.8171.2-62.6-63.5-73.200109.9A106 D121A106-M123 HydrophobicContact CB-CG 4.28Å; A106-M123 HydrophobicContact CB-SD 4.09Å; D121-M123 VanDerWaalsContact C-N 3.33Å; D121-M123 WeakPolarHBondContact OD1-CA 3.41Å; D121-M123 VanDerWaalsContact OD1-CB 3.24Å; D121-M123 WeakPolarHBondContact OD1-CB 3.36Å; D121-M123 PolarHBondContact OD1-N 2.74Å
124N93.9Very high93.8Very high112 Ų11258 Ų5860%0.59931%0.307SS*.THydrogen-bonded Turntrans-99.70.6-177.3-62.1-47.6000113.6D121 T126D121-N124 PolarHBondContact OD1-N 3.25Å; D121-N124 PolarHBondContact OD2-ND2 3.41Å; N124-T126 PolarHBondContact O-N 2.97Å; N124-T126 PolarHBondContact O-OG1 3.13Å
125M93.6Very high93.8Very high65 Ų6557.4 Ų57.432%0.3230%0.295SS..THydrogen-bonded Turntrans52.142.8-176.2-59.9-65-69.800112.6F120 D121 E148 R152F120-M125 HydrophobicContact CZ-CE 3.98Å; F120-M125 HydrophobicContact CZ-SD 4.01Å; D121-M125 CarbonylContact O-C 3.57Å; D121-M125 VanDerWaalsContact O-CA 3.22Å; D121-M125 WeakPolarHBondContact O-CA 3.11Å; D121-M125 PolarHBondContact O-N 3.22Å; M125-E148 HydrophobicContact CE-CB 3.75Å; M125-R152 HydrophobicContact SD-CB 4.17Å; M125-R152 HydrophobicContact SD-CG 4.11Å
126T94.9Very high93.8Very high73 Ų7359.6 Ų59.645%0.44830%0.302SS..EExtended strand (participates in β ladder)trans-121.1128.7-169.9-64.40000111.5F120 D121 N124F120-T126 WeakPolarHBondContact CD2-O 3.29Å; D121-T126 PolarHBondContact N-O 2.92Å; D121-T126 PolarHBondContact O-N 3.2Å; N124-T126 PolarHBondContact O-N 2.97Å; N124-T126 PolarHBondContact O-OG1 3.13Å
127W95.7Very high93.6Very high10 Ų1054.4 Ų54.44%0.03828%0.28CS..EExtended strand (participates in β ladder)trans-96.1119.8175-74.393.4000111.6F110 L118 L119 F120 K138 W141 K142 E148 F151F110-W127 HydrophobicContact CD2-CH2 4.47Å; F110-W127 HydrophobicContact CD2-CZ3 4.03Å; F110-W127 AromaticContact CE2-CH2 3.71Å; F110-W127 HydrophobicContact CE2-CH2 3.71Å; F110-W127 AromaticContact CE2-CZ3 3.66Å; F110-W127 HydrophobicContact CE2-CZ3 3.66Å; F110-W127 HydrophobicContact CZ-CH2 4.18Å; L118-W127 HydrophobicContact CB-CE3 4.24Å; L118-W127 HydrophobicContact CB-CZ3 4.1Å; L118-W127 HydrophobicContact CD1-CE3 4.38Å; L118-W127 HydrophobicContact CD1-CZ3 4.1Å; L119-W127 WeakPolarHBondContact O-CA 3.22Å; F120-W127 HydrophobicContact CB-CD2 3.94Å; F120-W127 HydrophobicContact CB-CE3 3.77Å; F120-W127 HydrophobicContact CB-CH2 3.8Å; F120-W127 HydrophobicContact CB-CZ2 3.96Å; F120-W127 HydrophobicContact CB-CZ3 3.71Å; F120-W127 HydrophobicContact CD1-CZ2 4.05Å; F120-W127 AromaticContact CD2-CD1 3.54Å; F120-W127 AromaticContact CD2-CD2 3.61Å; F120-W127 HydrophobicContact CD2-CD2 3.61Å; F120-W127 AromaticContact CD2-CE2 3.4Å; F120-W127 VanDerWaalsContact CD2-CE2 3.4Å; F120-W127 HydrophobicContact CD2-CE3 4.34Å; F120-W127 AromaticContact CD2-CG 3.73Å; F120-W127 HydrophobicContact CD2-CG 3.73Å; F120-W127 AromaticContact CD2-CZ2 3.97Å; F120-W127 HydrophobicContact CD2-CZ2 3.97Å; F120-W127 AromaticContact CD2-NE1 3.37Å; F120-W127 AromaticContact CE2-CD1 3.65Å; F120-W127 HydrophobicContact CE2-CD2 4.41Å; F120-W127 AromaticContact CE2-CE2 3.89Å; F120-W127 HydrophobicContact CE2-CG 4.29Å; F120-W127 AromaticContact CE2-NE1 3.4Å; F120-W127 AromaticContact CG-CD2 3.98Å; F120-W127 HydrophobicContact CG-CD2 3.98Å; F120-W127 AromaticContact CG-CE2 3.66Å; F120-W127 HydrophobicContact CG-CE3 4.32Å; F120-W127 HydrophobicContact CG-CH2 4.11Å; F120-W127 AromaticContact CG-CZ2 3.74Å; F120-W127 HydrophobicContact CG-CZ2 3.74Å; F120-W127 HydrophobicContact CG-CZ3 4.39Å; W127-K138 HydrophobicContact CB-CD 3.87Å; W127-K138 HydrophobicContact CB-CG 4.08Å; W127-K138 HydrophobicContact CG-CG 4.42Å; W127-K138 PolarHBondContact O-NZ 3.28Å; W127-W141 AromaticContact CH2-CE3 3.64Å; W127-W141 HydrophobicContact CH2-CE3 3.64Å; W127-W141 HydrophobicContact CH2-CZ3 4.14Å; W127-W141 AromaticContact CZ3-CE3 3.89Å; W127-W141 HydrophobicContact CZ3-CE3 3.89Å; W127-W141 HydrophobicContact CZ3-CZ3 4.19Å; W127-K142 HydrophobicContact CB-CD 4.42Å; W127-K142 HydrophobicContact CG-CD 4.24Å; W127-K142 HydrophobicContact CG-CG 4.25Å; W127-E148 PolarHBondContact NE1-OE1 3.37Å; W127-F151 HydrophobicContact CH2-CD2 4.31Å; W127-F151 AromaticContact CH2-CE2 3.91Å; W127-F151 HydrophobicContact CH2-CE2 3.91Å; W127-F151 HydrophobicContact CZ2-CD2 4.19Å; W127-F151 HydrophobicContact CZ2-CE2 4.1Å
128T96.5Very high93.5Very high69 Ų6955.9 Ų55.942%0.42329%0.286SS..EExtended strand (participates in β ladder)trans-103.8129.7172.2-58.70000109.7L119L119-T128 PolarHBondContact N-O 2.74Å; L119-T128 PolarHBondContact O-N 3.05Å
129V96.6Very high93.3Very high46 Ų4660.8 Ų60.828%0.27931%0.309SS..EExtended strand (participates in β ladder)trans-88.1122.3172.5-179.10000107.9L118 N131 K138L118-V129 HydrophobicContact CD2-CB 4.38Å; L118-V129 HydrophobicContact CD2-CG1 4.43Å; L118-V129 HydrophobicContact CD2-CG2 4.02Å; V129-N131 WeakPolarHBondContact CG1-O 3.2Å; V129-K138 HydrophobicContact CG2-CB 4.33Å; V129-K138 HydrophobicContact CG2-CD 3.38Å; V129-K138 HydrophobicContact CG2-CG 4.48Å
130I95.4Very high93Very high84 Ų8460.7 Ų60.743%0.43131%0.311SS..SBendtrans-93.7-49.1177.3-57.8172000109.3K116 S117 L119K116-I130 HydrophobicContact CB-CD1 4.24Å; K116-I130 HydrophobicContact CB-CG2 4.15Å; S117-I130 WeakPolarHBondContact O-CB 3.5Å; S117-I130 PolarHBondContact O-N 3.2Å; L119-I130 HydrophobicContact CB-CD1 4.13Å
131N90.8Very high92.7Very high37 Ų3761 Ų6120%0.19831%0.312CS..SBendtrans-103123.2173.1-176.2-18.9000109.5E115 S117 V129 E133 A134E115-N131 PolarHBondContact OE2-ND2 2.89Å; S117-N131 PolarHBondContact O-N 3.18Å; V129-N131 WeakPolarHBondContact CG1-O 3.2Å; N131-E133 PolarHBondContact O-N 3.1Å; N131-E133 VanDerWaalsContact O-N 3.12Å; N131-E133 WeakPolarHBondContact OD1-CB 3.45Å; N131-E133 PolarHBondContact OD1-N 3.42Å; N131-A134 WeakPolarHBondContact O-CB 3.43Å; N131-A134 PolarHBondContact O-N 3.32Å
132H85.5Confident92.3Very high160 Ų16063.3 Ų63.374%0.74132%0.32SS*.G310 helixtrans-56.1-29.9-179.5-175.3-83.6000113.1A134 S135H132-A134 PolarHBondContact O-N 2.81Å; H132-S135 VanDerWaalsContact O-CB 3.29Å; H132-S135 WeakPolarHBondContact O-CB 3.4Å; H132-S135 PolarHBondContact O-N 3.4Å; H132-S135 VanDerWaalsContact O-N 3.1Å; H132-S135 PolarHBondContact O-OG 2.91Å
133E85.2Confident91.9Very high112 Ų11271.5 Ų71.552%0.52336%0.355SS..G310 helixtrans-63.1-26.3176.1-60.4-156.4133.200112.7K83 N131 S135K83-E133 IonicContact NZ-OE1 2.78Å; K83-E133 PolarHBondContact NZ-OE1 2.77Å; N131-E133 PolarHBondContact O-N 3.1Å; N131-E133 VanDerWaalsContact O-N 3.12Å; N131-E133 WeakPolarHBondContact OD1-CB 3.45Å; N131-E133 PolarHBondContact OD1-N 3.42Å; E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 2.89Å
134A89.2Confident91.7Very high3 Ų372.5 Ų72.53%0.02536%0.362CS..G310 helixtrans-81.30.4176.700000114L118 N131 H132 K136 I137 K138L118-A134 HydrophobicContact CD2-CB 3.96Å; L118-A134 HydrophobicContact CG-CB 4.04Å; N131-A134 WeakPolarHBondContact O-CB 3.43Å; N131-A134 PolarHBondContact O-N 3.32Å; H132-A134 PolarHBondContact O-N 2.81Å; A134-K136 VanDerWaalsContact C-N 3.3Å; A134-K136 PolarHBondContact O-N 3.38Å; A134-I137 HydrophobicContact CB-CD1 4.44Å; A134-I137 WeakPolarHBondContact O-CB 3.32Å; A134-I137 PolarHBondContact O-N 2.03Å; A134-I137 VanDerWaalsContact O-N 3.08Å; A134-K138 PolarHBondContact O-N 3.17Å
135S91.5Very high91Very high35 Ų3577.2 Ų77.225%0.24537%0.371CS..Hα-helixtrans-58.7-41.1-180-58.20000112.3H132 E133 I137 K138 E139H132-S135 VanDerWaalsContact O-CB 3.29Å; H132-S135 WeakPolarHBondContact O-CB 3.4Å; H132-S135 PolarHBondContact O-N 3.4Å; H132-S135 VanDerWaalsContact O-N 3.1Å; H132-S135 PolarHBondContact O-OG 2.91Å; E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 2.89Å; S135-I137 VanDerWaalsContact C-N 3.29Å; S135-I137 PolarHBondContact O-N 3.47Å; S135-K138 WeakPolarHBondContact O-CB 3.11Å; S135-K138 PolarHBondContact O-N 2.46Å; S135-E139 WeakPolarHBondContact O-CG 3.14Å; S135-E139 PolarHBondContact O-N 3.44Å; S135-E139 VanDerWaalsContact O-N 3.12Å
136K91.4Very high90.9Very high160 Ų16075.9 Ų75.970%0.69638%0.375SS*.Hα-helixtrans-66.2-33.4177.6-66.7-177.7-179.6178.60112.5Q81 A134 E139 T140Q81-K136 PolarHBondContact OE1-O 2.98Å; A134-K136 VanDerWaalsContact C-N 3.3Å; A134-K136 PolarHBondContact O-N 3.38Å; K136-E139 PolarHBondContact O-N 2.98Å; K136-T140 PolarHBondContact O-N 2.95Å; K136-T140 PolarHBondContact O-OG1 2.73Å
137I92.1Very high90.9Very high6 Ų673 Ų733%0.03136%0.356CS..Hα-helixtrans-66.5-47.4177.1-63172000109.9I78 Q81 I112 L118 A134 S135 E139 T140 W141I78-I137 HydrophobicContact CB-CD1 4.28Å; I78-I137 HydrophobicContact CB-CG1 4.13Å; I78-I137 HydrophobicContact CB-CG2 4.29Å; I78-I137 HydrophobicContact CD1-CD1 4.06Å; I78-I137 HydrophobicContact CD1-CG2 4.28Å; I78-I137 HydrophobicContact CG2-CB 4.41Å; I78-I137 HydrophobicContact CG2-CG1 4.25Å; I78-I137 HydrophobicContact CG2-CG2 3.63Å; Q81-I137 HydrophobicContact CB-CG1 4.41Å; I112-I137 HydrophobicContact CD1-CD1 3.35Å; L118-I137 HydrophobicContact CD1-CB 4.4Å; L118-I137 HydrophobicContact CD1-CG2 3.9Å; A134-I137 HydrophobicContact CB-CD1 4.44Å; A134-I137 WeakPolarHBondContact O-CB 3.32Å; A134-I137 PolarHBondContact O-N 2.03Å; A134-I137 VanDerWaalsContact O-N 3.08Å; S135-I137 VanDerWaalsContact C-N 3.29Å; S135-I137 PolarHBondContact O-N 3.47Å; I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 PolarHBondContact O-N 2.82Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.77Å; I137-T140 VanDerWaalsContact O-N 3.08Å; I137-W141 HydrophobicContact CG2-CD2 3.88Å; I137-W141 HydrophobicContact CG2-CE3 4.19Å; I137-W141 HydrophobicContact CG2-CG 4.41Å; I137-W141 HydrophobicContact CG2-CH2 4.24Å; I137-W141 HydrophobicContact CG2-CZ2 3.93Å; I137-W141 HydrophobicContact CG2-CZ3 4.37Å; I137-W141 PolarHBondContact O-N 3.31Å
138K93.1Very high90.8Very high37 Ų3774.4 Ų74.416%0.16136%0.363CS..Hα-helixtrans-53-49.9172.7170.7-178.1164.3172.70111.4L118 W127 V129 A134 S135 T140 W141 K142L118-K138 HydrophobicContact CD1-CB 4.28Å; L118-K138 HydrophobicContact CD2-CB 3.88Å; W127-K138 HydrophobicContact CB-CD 3.87Å; W127-K138 HydrophobicContact CB-CG 4.08Å; W127-K138 HydrophobicContact CG-CG 4.42Å; W127-K138 PolarHBondContact O-NZ 3.28Å; V129-K138 HydrophobicContact CG2-CB 4.33Å; V129-K138 HydrophobicContact CG2-CD 3.38Å; V129-K138 HydrophobicContact CG2-CG 4.48Å; A134-K138 PolarHBondContact O-N 3.17Å; S135-K138 WeakPolarHBondContact O-CB 3.11Å; S135-K138 PolarHBondContact O-N 2.46Å; K138-T140 PolarHBondContact O-N 3.34Å; K138-W141 PolarHBondContact O-N 3.31Å; K138-K142 HydrophobicContact CD-CD 4.48Å; K138-K142 HydrophobicContact CG-CD 3.87Å; K138-K142 HydrophobicContact CG-CG 4.21Å; K138-K142 WeakPolarHBondContact O-CB 3.22Å; K138-K142 VanDerWaalsContact O-CG 3.31Å; K138-K142 WeakPolarHBondContact O-CG 3.24Å; K138-K142 PolarHBondContact O-N 3.28Å
139E91.5Very high90.8Very high103 Ų10378.3 Ų78.348%0.48137%0.374SS..Hα-helixtrans-65-28.8-179.7-65.3-49.9128.500113.1S135 K136 I137 K143S135-E139 WeakPolarHBondContact O-CG 3.14Å; S135-E139 PolarHBondContact O-N 3.44Å; S135-E139 VanDerWaalsContact O-N 3.12Å; K136-E139 PolarHBondContact O-N 2.98Å; I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 PolarHBondContact O-N 2.82Å; E139-K143 WeakPolarHBondContact O-CG 3.32Å
140T91.3Very high90.8Very high53 Ų5379.1 Ų79.133%0.32537%0.373SS..Hα-helixtrans-68.6-52.8172.8-570000110.4Q81 K136 I137 K138 K142 K143Q81-T140 PolarHBondContact NE2-OG1 2.82Å; Q81-T140 PolarHBondContact OE1-OG1 3.01Å; K136-T140 PolarHBondContact O-N 2.95Å; K136-T140 PolarHBondContact O-OG1 2.73Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.77Å; I137-T140 VanDerWaalsContact O-N 3.08Å; K138-T140 PolarHBondContact O-N 3.34Å; T140-K142 PolarHBondContact O-N 3.24Å; T140-K143 WeakPolarHBondContact O-CB 3.35Å; T140-K143 PolarHBondContact O-N 3.49Å
141W91.4Very high90.9Very high6 Ų675.1 Ų75.12%0.02335%0.352CS..Hα-helixtrans-65.4-35.5-177.7-72.9-2.7000113.2L74 I78 F110 L118 W127 I137 K138 K143 D144 L147L74-W141 HydrophobicContact CB-CZ2 4.05Å; I78-W141 HydrophobicContact CD1-CZ2 4.01Å; I78-W141 HydrophobicContact CG2-CZ2 3.96Å; F110-W141 AromaticContact CD1-CH2 3.79Å; F110-W141 HydrophobicContact CD1-CH2 3.79Å; F110-W141 AromaticContact CD1-CZ3 3.78Å; F110-W141 HydrophobicContact CD1-CZ3 3.78Å; F110-W141 HydrophobicContact CD2-CZ3 4.03Å; F110-W141 HydrophobicContact CE1-CH2 4.11Å; F110-W141 AromaticContact CE1-CZ3 3.91Å; F110-W141 HydrophobicContact CE1-CZ3 3.91Å; F110-W141 HydrophobicContact CE2-CZ3 4.16Å; F110-W141 HydrophobicContact CG-CH2 4.16Å; F110-W141 AromaticContact CG-CZ3 3.85Å; F110-W141 HydrophobicContact CG-CZ3 3.85Å; F110-W141 HydrophobicContact CZ-CZ3 4.1Å; L118-W141 HydrophobicContact CD1-CE3 3.87Å; L118-W141 HydrophobicContact CD1-CZ3 3.82Å; W127-W141 AromaticContact CH2-CE3 3.64Å; W127-W141 HydrophobicContact CH2-CE3 3.64Å; W127-W141 HydrophobicContact CH2-CZ3 4.14Å; W127-W141 AromaticContact CZ3-CE3 3.89Å; W127-W141 HydrophobicContact CZ3-CE3 3.89Å; W127-W141 HydrophobicContact CZ3-CZ3 4.19Å; I137-W141 HydrophobicContact CG2-CD2 3.88Å; I137-W141 HydrophobicContact CG2-CE3 4.19Å; I137-W141 HydrophobicContact CG2-CG 4.41Å; I137-W141 HydrophobicContact CG2-CH2 4.24Å; I137-W141 HydrophobicContact CG2-CZ2 3.93Å; I137-W141 HydrophobicContact CG2-CZ3 4.37Å; I137-W141 PolarHBondContact O-N 3.31Å; K138-W141 PolarHBondContact O-N 3.31Å; W141-K143 PolarHBondContact O-N 3.48Å; W141-D144 PolarHBondContact O-N 2.79Å; W141-D144 VanDerWaalsContact O-N 3.12Å; W141-L147 HydrophobicContact CB-CD2 3.64Å; W141-L147 HydrophobicContact CD2-CD2 4.26Å; W141-L147 HydrophobicContact CG-CD2 3.78Å
142K88.8Confident91.1Very high94 Ų9479.1 Ų79.141%0.40936%0.364SS..THydrogen-bonded Turntrans-67.2-19.6176.8-73.3-170.982-176.40114.2W127 K138 T140 D144W127-K142 HydrophobicContact CB-CD 4.42Å; W127-K142 HydrophobicContact CG-CD 4.24Å; W127-K142 HydrophobicContact CG-CG 4.25Å; K138-K142 HydrophobicContact CD-CD 4.48Å; K138-K142 HydrophobicContact CG-CD 3.87Å; K138-K142 HydrophobicContact CG-CG 4.21Å; K138-K142 WeakPolarHBondContact O-CB 3.22Å; K138-K142 VanDerWaalsContact O-CG 3.31Å; K138-K142 WeakPolarHBondContact O-CG 3.24Å; K138-K142 PolarHBondContact O-N 3.28Å; T140-K142 PolarHBondContact O-N 3.24Å; K142-D144 VanDerWaalsContact C-N 3.26Å
143K88.4Confident91.6Very high173 Ų17378 Ų7875%0.75236%0.357SS*.THydrogen-bonded Turntrans-72.1-26.3174.3-71170.4-174.8179.80111.7E139 T140 W141 R145E139-K143 WeakPolarHBondContact O-CG 3.32Å; T140-K143 WeakPolarHBondContact O-CB 3.35Å; T140-K143 PolarHBondContact O-N 3.49Å; W141-K143 PolarHBondContact O-N 3.48Å; K143-R145 PolarHBondContact O-N 2.88Å
144D88.5Confident92.2Very high84 Ų8473 Ų7345%0.44933%0.334SS..  trans-81.497.3172.8-173.6-9.3000110.4W141 K142 G146 L147W141-D144 PolarHBondContact O-N 2.79Å; W141-D144 VanDerWaalsContact O-N 3.12Å; K142-D144 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 3.01Å; D144-G146 VanDerWaalsContact OD1-CA 3.31Å; D144-G146 WeakPolarHBondContact OD1-CA 3.41Å; D144-G146 PolarHBondContact OD1-N 2.78Å; D144-L147 HydrophobicContact CB-CB 3.94Å; D144-L147 PolarHBondContact O-N 3.33Å; D144-L147 PolarHBondContact OD1-N 2.93Å
145R79.4Confident92.5Very high211 Ų21172.8 Ų72.880%0.79633%0.333SS*.Hα-helixtrans-65.7-16.6176.4-63.7-172.2-179.3-162.10.9113.3K143K143-R145 PolarHBondContact O-N 2.88Å
146G92.8Very high92.6Very high38 Ų3875 Ų7539%0.39234%0.338SS..Hα-helixtrans-77.2-36.1175.200000112.1D144 E148 K149 Y150D144-G146 PolarHBondContact O-N 3.01Å; D144-G146 VanDerWaalsContact OD1-CA 3.31Å; D144-G146 WeakPolarHBondContact OD1-CA 3.41Å; D144-G146 PolarHBondContact OD1-N 2.78Å; G146-E148 PolarHBondContact O-N 2.98Å; G146-K149 WeakPolarHBondContact O-CB 3.36Å; G146-K149 PolarHBondContact O-N 2.87Å; G146-Y150 WeakPolarHBondContact O-CB 3.14Å; G146-Y150 PolarHBondContact O-N 2.98Å
147L93.9Very high92.7Very high12 Ų1269.1 Ų69.16%0.06332%0.323CS..Hα-helixtrans-62.2-47.5-173.9-173.862.4000113.4L74 W141 D144 K149 Y150 F151L74-L147 HydrophobicContact CD1-CD1 3.84Å; L74-L147 HydrophobicContact CD2-CD1 3.97Å; L74-L147 HydrophobicContact CD2-CD2 3.99Å; L74-L147 HydrophobicContact CG-CD1 4.48Å; W141-L147 HydrophobicContact CB-CD2 3.64Å; W141-L147 HydrophobicContact CD2-CD2 4.26Å; W141-L147 HydrophobicContact CG-CD2 3.78Å; D144-L147 HydrophobicContact CB-CB 3.94Å; D144-L147 PolarHBondContact O-N 3.33Å; D144-L147 PolarHBondContact OD1-N 2.93Å; L147-K149 VanDerWaalsContact C-N 3.29Å; L147-K149 PolarHBondContact O-N 3.45Å; L147-Y150 WeakPolarHBondContact O-CB 3.39Å; L147-Y150 PolarHBondContact O-N 2.92Å; L147-F151 HydrophobicContact CD1-CD2 4.26Å; L147-F151 HydrophobicContact CD1-CE1 4.12Å; L147-F151 HydrophobicContact CD1-CE2 3.59Å; L147-F151 HydrophobicContact CD1-CZ 3.5Å; L147-F151 HydrophobicContact CD2-CE2 3.96Å; L147-F151 HydrophobicContact CD2-CZ 4.43Å; L147-F151 HydrophobicContact CG-CD2 4.04Å; L147-F151 HydrophobicContact CG-CE2 3.51Å; L147-F151 HydrophobicContact CG-CZ 3.98Å; L147-F151 PolarHBondContact O-N 3.49Å
148E94.7Very high92.8Very high39 Ų3971 Ų7118%0.18233%0.333CS..Hα-helixtrans-63.6-36.9177.8-67.8-174162.100111.9F120 M125 W127 G146 R152F120-E148 HydrophobicContact CE1-CB 4.25Å; F120-E148 HydrophobicContact CE1-CG 4.35Å; F120-E148 HydrophobicContact CE2-CG 4.22Å; F120-E148 HydrophobicContact CZ-CB 3.82Å; F120-E148 HydrophobicContact CZ-CG 3.77Å; M125-E148 HydrophobicContact CE-CB 3.75Å; W127-E148 PolarHBondContact NE1-OE1 3.37Å; G146-E148 PolarHBondContact O-N 2.98Å; E148-R152 VanDerWaalsContact O-CB 3.25Å; E148-R152 WeakPolarHBondContact O-CB 3.49Å; E148-R152 PolarHBondContact O-N 2.89Å
149K95.4Very high92.9Very high152 Ų15269.3 Ų69.366%0.66133%0.326SS*.Hα-helixtrans-67-39.8176-67.9179.4-179.4179.60111.4G146 L147 R152 K153G146-K149 WeakPolarHBondContact O-CB 3.36Å; G146-K149 PolarHBondContact O-N 2.87Å; L147-K149 VanDerWaalsContact C-N 3.29Å; L147-K149 PolarHBondContact O-N 3.45Å; K149-R152 PolarHBondContact O-N 3.23Å; K149-K153 WeakPolarHBondContact O-CB 3.33Å; K149-K153 PolarHBondContact O-N 3.49Å
150Y96.7Very high92.8Very high62 Ų6265.8 Ų65.824%0.24331%0.31CS..Hα-helixtrans-61.4-53.4175.9170.6-95.6000111.4V67 D70 G146 L147 R152 K153 L154V67-Y150 WeakPolarHBondContact CA-OH 3.41Å; V67-Y150 WeakPolarHBondContact CG2-OH 3.34Å; D70-Y150 WeakPolarHBondContact OD2-CE2 3.37Å; D70-Y150 PolarHBondContact OD2-OH 3.33Å; G146-Y150 WeakPolarHBondContact O-CB 3.14Å; G146-Y150 PolarHBondContact O-N 2.98Å; L147-Y150 WeakPolarHBondContact O-CB 3.39Å; L147-Y150 PolarHBondContact O-N 2.92Å; Y150-R152 VanDerWaalsContact C-N 3.28Å; Y150-R152 PolarHBondContact O-N 3.3Å; Y150-K153 PolarHBondContact O-N 3.11Å; Y150-K153 VanDerWaalsContact O-N 3.14Å; Y150-L154 HydrophobicContact CD1-CD1 3.98Å; Y150-L154 HydrophobicContact CD2-CD1 4.28Å; Y150-L154 HydrophobicContact CE1-CD1 3.38Å; Y150-L154 HydrophobicContact CE2-CD1 3.76Å; Y150-L154 HydrophobicContact CG-CD1 4.39Å; Y150-L154 PolarHBondContact O-N 3.42Å
151F96.8Very high92.8Very high0 Ų067.7 Ų67.70%032%0.315CS..Hα-helixtrans-59.9-38.6177.3-70.1-32.8000112.8L71 L74 W108 F110 F120 T122 W127 L147 S155L71-F151 HydrophobicContact CD2-CE1 4.45Å; L74-F151 HydrophobicContact CD1-CE1 4.47Å; L74-F151 HydrophobicContact CD1-CZ 3.85Å; W108-F151 HydrophobicContact CD2-CB 4.38Å; W108-F151 AromaticContact CD2-CD1 3.61Å; W108-F151 HydrophobicContact CD2-CD1 3.61Å; W108-F151 HydrophobicContact CD2-CE1 4.1Å; W108-F151 HydrophobicContact CD2-CG 4.08Å; W108-F151 AromaticContact CE2-CD1 3.51Å; W108-F151 AromaticContact CE3-CD1 3.82Å; W108-F151 HydrophobicContact CE3-CD1 3.82Å; W108-F151 AromaticContact CE3-CE1 3.84Å; W108-F151 HydrophobicContact CE3-CE1 3.84Å; W108-F151 HydrophobicContact CG-CB 4.3Å; W108-F151 HydrophobicContact CG-CD1 4.23Å; W108-F151 HydrophobicContact CG-CG 4.22Å; W108-F151 AromaticContact CH2-CD1 3.92Å; W108-F151 HydrophobicContact CH2-CD1 3.92Å; W108-F151 HydrophobicContact CH2-CE1 4.2Å; W108-F151 AromaticContact CZ2-CD1 3.67Å; W108-F151 HydrophobicContact CZ2-CD1 3.67Å; W108-F151 HydrophobicContact CZ2-CE1 4.4Å; W108-F151 AromaticContact CZ3-CD1 3.99Å; W108-F151 HydrophobicContact CZ3-CD1 3.99Å; W108-F151 AromaticContact CZ3-CE1 3.91Å; W108-F151 HydrophobicContact CZ3-CE1 3.91Å; W108-F151 PolarHBondContact NE1-O 3.21Å; F110-F151 AromaticContact CE1-CZ 3.99Å; F110-F151 HydrophobicContact CE1-CZ 3.99Å; F110-F151 HydrophobicContact CZ-CD2 4.45Å; F110-F151 HydrophobicContact CZ-CE1 4.22Å; F110-F151 AromaticContact CZ-CE2 3.74Å; F110-F151 HydrophobicContact CZ-CE2 3.74Å; F110-F151 AromaticContact CZ-CZ 3.6Å; F110-F151 HydrophobicContact CZ-CZ 3.6Å; F120-F151 HydrophobicContact CD1-CB 3.96Å; F120-F151 AromaticContact CD1-CD2 3.91Å; F120-F151 HydrophobicContact CD1-CD2 3.91Å; F120-F151 HydrophobicContact CD1-CG 4.36Å; F120-F151 HydrophobicContact CE1-CB 3.89Å; F120-F151 HydrophobicContact CE1-CD2 4.21Å; T122-F151 HydrophobicContact CG2-CB 4.38Å; W127-F151 HydrophobicContact CH2-CD2 4.31Å; W127-F151 AromaticContact CH2-CE2 3.91Å; W127-F151 HydrophobicContact CH2-CE2 3.91Å; W127-F151 HydrophobicContact CZ2-CD2 4.19Å; W127-F151 HydrophobicContact CZ2-CE2 4.1Å; L147-F151 HydrophobicContact CD1-CD2 4.26Å; L147-F151 HydrophobicContact CD1-CE1 4.12Å; L147-F151 HydrophobicContact CD1-CE2 3.59Å; L147-F151 HydrophobicContact CD1-CZ 3.5Å; L147-F151 HydrophobicContact CD2-CE2 3.96Å; L147-F151 HydrophobicContact CD2-CZ 4.43Å; L147-F151 HydrophobicContact CG-CD2 4.04Å; L147-F151 HydrophobicContact CG-CE2 3.51Å; L147-F151 HydrophobicContact CG-CZ 3.98Å; L147-F151 PolarHBondContact O-N 3.49Å; F151-S155 WeakPolarHBondContact O-CB 3.21Å; F151-S155 PolarHBondContact O-N 3Å; F151-S155 PolarHBondContact O-OG 2.93Å
152R95.6Very high93Very high121 Ų12167.8 Ų67.846%0.45732%0.316SS..Hα-helixtrans-65-45.6175-173.3-172.3-173.6-125.55.4111.7M125 E148 K149 Y150 L154 K156M125-R152 HydrophobicContact SD-CB 4.17Å; M125-R152 HydrophobicContact SD-CG 4.11Å; E148-R152 VanDerWaalsContact O-CB 3.25Å; E148-R152 WeakPolarHBondContact O-CB 3.49Å; E148-R152 PolarHBondContact O-N 2.89Å; K149-R152 PolarHBondContact O-N 3.23Å; Y150-R152 VanDerWaalsContact C-N 3.28Å; Y150-R152 PolarHBondContact O-N 3.3Å; R152-L154 PolarHBondContact O-N 2.86Å; R152-K156 VanDerWaalsContact O-CB 3.25Å; R152-K156 WeakPolarHBondContact O-CB 3.33Å; R152-K156 PolarHBondContact O-N 2.77Å
153K96.1Very high93.2Very high136 Ų13663.3 Ų63.359%0.59130%0.296SS*.Iπ-helixtrans-58.4-49.3178.3-177-169.7168.6-166.40110.7K149 Y150 G157 D158K149-K153 WeakPolarHBondContact O-CB 3.33Å; K149-K153 PolarHBondContact O-N 3.49Å; Y150-K153 PolarHBondContact O-N 3.11Å; Y150-K153 VanDerWaalsContact O-N 3.14Å; K153-G157 CarbonylContact O-C 3.57Å; K153-G157 WeakPolarHBondContact O-CA 3.38Å; K153-G157 PolarHBondContact O-N 3.13Å; K153-D158 PolarHBondContact O-N 3.25Å
154L96.9Very high93.3Very high7 Ų760 Ų604%0.03728%0.279CS..Iπ-helixtrans-64.9-50.6-179.4-76.6169.8000112.6T63 V67 M94 W108 Y150 R152 D158 C159T63-L154 HydrophobicContact CG2-CD2 3.69Å; V67-L154 HydrophobicContact CG2-CD1 3.68Å; V67-L154 HydrophobicContact CG2-CD2 4.14Å; M94-L154 HydrophobicContact SD-CB 4.08Å; W108-L154 HydrophobicContact CH2-CD1 3.97Å; W108-L154 HydrophobicContact CZ2-CB 3.85Å; W108-L154 HydrophobicContact CZ2-CD1 3.82Å; Y150-L154 HydrophobicContact CD1-CD1 3.98Å; Y150-L154 HydrophobicContact CD2-CD1 4.28Å; Y150-L154 HydrophobicContact CE1-CD1 3.38Å; Y150-L154 HydrophobicContact CE2-CD1 3.76Å; Y150-L154 HydrophobicContact CG-CD1 4.39Å; Y150-L154 PolarHBondContact O-N 3.42Å; R152-L154 PolarHBondContact O-N 2.86Å; L154-D158 HydrophobicContact CD2-CB 4.49Å; L154-D158 PolarHBondContact O-N 3.47Å; L154-C159 WeakPolarHBondContact O-CB 3.28Å; L154-C159 PolarHBondContact O-N 3.5Å
155S96.1Very high93.4Very high0 Ų058 Ų580%027%0.267CS..Iπ-helixtrans-77.9-30.5-173.559.30000114.4C96 T122 F151 C159C96-S155 WeakPolarHBondContact CB-O 3.08Å; T122-S155 WeakPolarHBondContact CB-OG 3.16Å; T122-S155 WeakPolarHBondContact CG2-OG 3.35Å; T122-S155 PolarHBondContact OG1-OG 3.36Å; F151-S155 WeakPolarHBondContact O-CB 3.21Å; F151-S155 PolarHBondContact O-N 3Å; F151-S155 PolarHBondContact O-OG 2.93Å; S155-C159 WeakPolarHBondContact O-CB 3.48Å
156K94.1Very high94Very high80 Ų8048 Ų4835%0.34823%0.229SC..Iπ-helixtrans-102.3-26-178.5-172.5175.3177.81760113.5R152 D160R152-K156 VanDerWaalsContact O-CB 3.25Å; R152-K156 WeakPolarHBondContact O-CB 3.33Å; R152-K156 PolarHBondContact O-N 2.77Å; K156-D160 VanDerWaalsContact O-CB 3.27Å; K156-D160 WeakPolarHBondContact O-CB 3.3Å
157G92.9Very high93.9Very high37 Ų3746.9 Ų46.938%0.38121%0.214SC..Iπ-helixtrans-98.8-73.2-179.500000111.3K153 C159 D160 H161K153-G157 CarbonylContact O-C 3.57Å; K153-G157 WeakPolarHBondContact O-CA 3.38Å; K153-G157 PolarHBondContact O-N 3.13Å; G157-C159 PolarHBondContact O-N 3.12Å; G157-D160 WeakPolarHBondContact O-CB 3.49Å; G157-D160 PolarHBondContact O-N 3.2Å; G157-H161 PolarHBondContact O-N 3.37Å; G157-H161 VanDerWaalsContact O-N 3.11Å
158D94.2Very high93.7Very high47 Ų4748.2 Ų48.225%0.25123%0.231SC..Iπ-helixtrans-66-41-170.6-54.2-35.9000111.2K153 L154 H161 W162K153-D158 PolarHBondContact O-N 3.25Å; L154-D158 HydrophobicContact CD2-CB 4.49Å; L154-D158 PolarHBondContact O-N 3.47Å; D158-H161 WeakPolarHBondContact O-CB 3.41Å; D158-H161 PolarHBondContact O-N 2.94Å; D158-W162 HydrophobicContact CB-CE3 4.45Å; D158-W162 HydrophobicContact CB-CH2 3.64Å; D158-W162 HydrophobicContact CB-CZ2 3.84Å; D158-W162 HydrophobicContact CB-CZ3 3.97Å; D158-W162 VanDerWaalsContact O-CG 3.27Å; D158-W162 PolarHBondContact O-N 2.97Å
159C94.5Very high93.4Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-65.3-38.6176.1-170.60000113.8C96 L154 S155 G157 H161 W162 L163C96-C159 HydrophobicContact CB-CB 3.74Å; C96-C159 WeakPolarHBondContact CB-SG 3.48Å; C96-C159 WeakPolarHBondContact SG-CB 3.27Å; C96-C159 PolarHBondContact SG-O 3.49Å; C96-C159 VanDerWaalsContact SG-O 3.4Å; C96-C159 CovalentContact SG-SG 2.03Å; C96-C159 PolarHBondContact SG-SG 3.23Å; L154-C159 WeakPolarHBondContact O-CB 3.28Å; L154-C159 PolarHBondContact O-N 3.5Å; S155-C159 WeakPolarHBondContact O-CB 3.48Å; G157-C159 PolarHBondContact O-N 3.12Å; C159-H161 VanDerWaalsContact C-N 3.34Å; C159-W162 HydrophobicContact CB-CE3 4.45Å; C159-W162 PolarHBondContact O-N 2.92Å; C159-L163 WeakPolarHBondContact O-CB 3.4Å; C159-L163 PolarHBondContact O-N 2.9Å
160D90.8Very high93.1Very high29 Ų2945.8 Ų45.816%0.15522%0.219CC..Hα-helixtrans-59.5-47.6174173.5137.5000109.8H98 C103 K156 G157 L163 R164H98-D160 IonicContact CE1-OD1 2.74Å; H98-D160 PolarHBondContact CE1-OD1 2.81Å; H98-D160 IonicContact CE1-OD2 3.5Å; H98-D160 PolarHBondContact CE1-OD2 2.85Å; H98-D160 WeakPolarHBondContact NE2-CB 3.29Å; H98-D160 IonicContact NE2-OD1 3.52Å; H98-D160 PolarHBondContact NE2-OD1 2.92Å; H98-D160 IonicContact NE2-OD2 2.74Å; C103-D160 WeakPolarHBondContact CB-OD1 3.43Å; K156-D160 VanDerWaalsContact O-CB 3.27Å; K156-D160 WeakPolarHBondContact O-CB 3.3Å; G157-D160 WeakPolarHBondContact O-CB 3.49Å; G157-D160 PolarHBondContact O-N 3.2Å; D160-L163 PolarHBondContact O-N 3.31Å; D160-R164 WeakPolarHBondContact O-CG 3.32Å; D160-R164 PolarHBondContact O-N 3.15Å; D160-R164 VanDerWaalsContact O-N 3.1Å; D160-R164 IonicContact OD1-NH2 3.38Å; D160-R164 IonicContact OD2-CZ 3.74Å; D160-R164 IonicContact OD2-NE 2.89Å; D160-R164 PolarHBondContact OD2-NE 2.91Å; D160-R164 IonicContact OD2-NH2 2.67Å; D160-R164 PolarHBondContact OD2-NH2 3.21Å
161H91.6Very high92.6Very high93 Ų9349 Ų4943%0.43124%0.236SC..Hα-helixtrans-58.5-52.4177.1174.862000112.2G157 D158 C159 L163 R164 E165G157-H161 PolarHBondContact O-N 3.37Å; G157-H161 VanDerWaalsContact O-N 3.11Å; D158-H161 WeakPolarHBondContact O-CB 3.41Å; D158-H161 PolarHBondContact O-N 2.94Å; C159-H161 VanDerWaalsContact C-N 3.34Å; H161-L163 PolarHBondContact O-N 3.12Å; H161-R164 PolarHBondContact O-N 2.81Å; H161-E165 PolarHBondContact O-N 3.44Å
162W93.9Very high91.9Very high8 Ų852.3 Ų52.33%0.0326%0.263CS..Hα-helixtrans-62.5-40.9178.8-61.7-31.1000112.8L3 F5 T56 L60 T63 D158 C159 R164 E165 F166L3-W162 HydrophobicContact CD2-CB 3.89Å; F5-W162 HydrophobicContact CE1-CE3 4.49Å; F5-W162 HydrophobicContact CE1-CZ3 4.46Å; F5-W162 HydrophobicContact CE2-CE3 4.42Å; F5-W162 AromaticContact CZ-CE3 3.71Å; F5-W162 HydrophobicContact CZ-CE3 3.71Å; F5-W162 AromaticContact CZ-CZ3 3.99Å; F5-W162 HydrophobicContact CZ-CZ3 3.99Å; T56-W162 HydrophobicContact CG2-CG 4.24Å; L60-W162 HydrophobicContact CD1-CD2 3.7Å; L60-W162 HydrophobicContact CD1-CE3 3.66Å; L60-W162 HydrophobicContact CD1-CG 4.42Å; L60-W162 HydrophobicContact CD1-CH2 3.92Å; L60-W162 HydrophobicContact CD1-CZ2 3.93Å; L60-W162 HydrophobicContact CD1-CZ3 3.79Å; T63-W162 HydrophobicContact CG2-CH2 3.69Å; T63-W162 HydrophobicContact CG2-CZ2 4.24Å; D158-W162 HydrophobicContact CB-CE3 4.45Å; D158-W162 HydrophobicContact CB-CH2 3.64Å; D158-W162 HydrophobicContact CB-CZ2 3.84Å; D158-W162 HydrophobicContact CB-CZ3 3.97Å; D158-W162 VanDerWaalsContact O-CG 3.27Å; D158-W162 PolarHBondContact O-N 2.97Å; C159-W162 HydrophobicContact CB-CE3 4.45Å; C159-W162 PolarHBondContact O-N 2.92Å; W162-R164 VanDerWaalsContact C-N 3.33Å; W162-R164 PolarHBondContact O-N 2.97Å; W162-E165 PolarHBondContact O-N 3.35Å; W162-F166 HydrophobicContact CB-CD2 4.3Å; W162-F166 HydrophobicContact CB-CE2 3.8Å; W162-F166 HydrophobicContact CB-CZ 4.24Å; W162-F166 WeakPolarHBondContact O-CB 3.43Å; W162-F166 VanDerWaalsContact O-CD2 3.22Å; W162-F166 WeakPolarHBondContact O-CD2 3.5Å; W162-F166 WeakPolarHBondContact O-CG 3.31Å; W162-F166 PolarHBondContact O-N 2.84Å
163L93Very high91.3Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-59.8-44178.8176.155.8000111.1H1 L3 L26 H98 C159 D160 H161 E165 F166 L167H1-L163 HydrophobicContact CB-CD1 4.31Å; L3-L163 HydrophobicContact CB-CB 4.17Å; L3-L163 HydrophobicContact CB-CD1 4.08Å; L3-L163 HydrophobicContact CB-CG 4.49Å; L3-L163 HydrophobicContact CD2-CB 4.4Å; L26-L163 HydrophobicContact CD1-CD1 3.39Å; H98-L163 HydrophobicContact CB-CD2 3.81Å; C159-L163 WeakPolarHBondContact O-CB 3.4Å; C159-L163 PolarHBondContact O-N 2.9Å; D160-L163 PolarHBondContact O-N 3.31Å; H161-L163 PolarHBondContact O-N 3.12Å; L163-E165 PolarHBondContact O-N 3.05Å; L163-F166 PolarHBondContact O-N 3.1Å; L163-L167 HydrophobicContact CD1-CD1 3.72Å; L163-L167 HydrophobicContact CD1-CD2 4.42Å; L163-L167 HydrophobicContact CD1-CG 3.85Å; L163-L167 HydrophobicContact CG-CD1 3.88Å; L163-L167 HydrophobicContact CG-CG 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CD1 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 3Å
164R90.7Very high90.1Very high103 Ų10347.8 Ų47.839%0.38926%0.26SS..Hα-helixtrans-60.6-45.5178.1-71.2175.7-169.1-95.74.7112.5H98 E101 D160 H161 W162 L167 G168H98-R164 PolarHBondContact CE1-NH2 2.73Å; H98-R164 VanDerWaalsContact CE1-NH2 3.33Å; E101-R164 PolarHBondContact O-NH1 3.03Å; E101-R164 PolarHBondContact O-NH2 2.92Å; D160-R164 WeakPolarHBondContact O-CG 3.32Å; D160-R164 PolarHBondContact O-N 3.15Å; D160-R164 VanDerWaalsContact O-N 3.1Å; D160-R164 IonicContact OD1-NH2 3.38Å; D160-R164 IonicContact OD2-CZ 3.74Å; D160-R164 IonicContact OD2-NE 2.89Å; D160-R164 PolarHBondContact OD2-NE 2.91Å; D160-R164 IonicContact OD2-NH2 2.67Å; D160-R164 PolarHBondContact OD2-NH2 3.21Å; H161-R164 PolarHBondContact O-N 2.81Å; W162-R164 VanDerWaalsContact C-N 3.33Å; W162-R164 PolarHBondContact O-N 2.97Å; R164-L167 PolarHBondContact O-N 3.01Å; R164-G168 PolarHBondContact O-N 3.04Å; R164-G168 VanDerWaalsContact O-N 3.13Å
165E91.5Very high88.3Confident43 Ų4356 Ų5620%0.20130%0.298CS..Hα-helixtrans-65.3-48.5179.8-178.8178.2148.500111.8T54 T56 H161 W162 L163 L167 G168 H169T54-E165 WeakPolarHBondContact CB-OE1 3.41Å; T54-E165 PolarHBondContact OG1-OE1 3.02Å; T56-E165 VanDerWaalsContact CB-CD 3.41Å; T56-E165 WeakPolarHBondContact CB-OE1 3.36Å; T56-E165 WeakPolarHBondContact CB-OE2 3.38Å; T56-E165 VanDerWaalsContact CG2-OE2 3.29Å; T56-E165 WeakPolarHBondContact CG2-OE2 3.31Å; T56-E165 PolarHBondContact OG1-OE1 2.86Å; T56-E165 PolarHBondContact OG1-OE2 3.13Å; H161-E165 PolarHBondContact O-N 3.44Å; W162-E165 PolarHBondContact O-N 3.35Å; L163-E165 PolarHBondContact O-N 3.05Å; E165-L167 PolarHBondContact O-N 2.84Å; E165-G168 PolarHBondContact O-N 3.47Å; E165-G168 VanDerWaalsContact O-N 3.12Å; E165-H169 PolarHBondContact O-CD2 3.07Å; E165-H169 VanDerWaalsContact O-CD2 3.23Å; E165-H169 PolarHBondContact O-N 3.25Å
166F91.9Very high86.5Confident0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-64.6-32.1-179.1-59.5-25.1000112L3 L26 F31 V51 T56 L60 W162 L163 H169 W170L3-F166 HydrophobicContact CD1-CD2 4.1Å; L3-F166 HydrophobicContact CD2-CD2 4.19Å; L3-F166 HydrophobicContact CD2-CE2 4.25Å; L26-F166 HydrophobicContact CD2-CB 4.38Å; F31-F166 HydrophobicContact CE2-CD2 4.16Å; F31-F166 HydrophobicContact CE2-CE2 4.16Å; F31-F166 AromaticContact CZ-CD2 3.7Å; F31-F166 HydrophobicContact CZ-CD2 3.7Å; F31-F166 AromaticContact CZ-CE2 3.85Å; F31-F166 HydrophobicContact CZ-CE2 3.85Å; F31-F166 HydrophobicContact CZ-CG 4.42Å; V51-F166 HydrophobicContact CB-CD1 3.95Å; V51-F166 HydrophobicContact CB-CE1 4.03Å; V51-F166 HydrophobicContact CG1-CD1 3.63Å; V51-F166 HydrophobicContact CG1-CE1 4.24Å; V51-F166 HydrophobicContact CG1-CG 4.38Å; V51-F166 HydrophobicContact CG2-CD1 4.46Å; V51-F166 HydrophobicContact CG2-CE1 4.4Å; T56-F166 HydrophobicContact CG2-CE1 4.18Å; T56-F166 HydrophobicContact CG2-CZ 4.22Å; L60-F166 HydrophobicContact CD2-CE2 4.07Å; L60-F166 HydrophobicContact CD2-CZ 3.88Å; W162-F166 HydrophobicContact CB-CD2 4.3Å; W162-F166 HydrophobicContact CB-CE2 3.8Å; W162-F166 HydrophobicContact CB-CZ 4.24Å; W162-F166 WeakPolarHBondContact O-CB 3.43Å; W162-F166 VanDerWaalsContact O-CD2 3.22Å; W162-F166 WeakPolarHBondContact O-CD2 3.5Å; W162-F166 WeakPolarHBondContact O-CG 3.31Å; W162-F166 PolarHBondContact O-N 2.84Å; L163-F166 PolarHBondContact O-N 3.1Å; F166-H169 PolarHBondContact O-N 2.88Å; F166-W170 WeakPolarHBondContact O-CB 3.47Å; F166-W170 PolarHBondContact O-N 3.35Å
167L90.8Very high84.1Confident15 Ų1568.7 Ų68.78%0.07939%0.385CS..Hα-helixtrans-64.7-43.7172.1-74.7170.4000112.6H1 L26 L163 R164 E165 H169 W170 E171H1-L167 HydrophobicContact CB-CD1 3.58Å; H1-L167 HydrophobicContact CB-CD2 3.62Å; H1-L167 HydrophobicContact CB-CG 4.18Å; L26-L167 HydrophobicContact CD1-CD2 4.09Å; L26-L167 HydrophobicContact CD1-CG 4.36Å; L26-L167 HydrophobicContact CD2-CD2 4.37Å; L163-L167 HydrophobicContact CD1-CD1 3.72Å; L163-L167 HydrophobicContact CD1-CD2 4.42Å; L163-L167 HydrophobicContact CD1-CG 3.85Å; L163-L167 HydrophobicContact CG-CD1 3.88Å; L163-L167 HydrophobicContact CG-CG 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CD1 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 3Å; R164-L167 PolarHBondContact O-N 3.01Å; E165-L167 PolarHBondContact O-N 2.84Å; L167-H169 PolarHBondContact O-N 2.96Å; L167-W170 PolarHBondContact O-N 3Å; L167-E171 WeakPolarHBondContact O-CG 3.26Å; L167-E171 PolarHBondContact O-N 3.36Å
168G88.8Confident83.6Confident41 Ų4170.3 Ų70.342%0.42339%0.385SS..Hα-helixtrans-57-38.1175.300000112.4R164 E165 A172R164-G168 PolarHBondContact O-N 3.04Å; R164-G168 VanDerWaalsContact O-N 3.13Å; E165-G168 PolarHBondContact O-N 3.47Å; E165-G168 VanDerWaalsContact O-N 3.12Å; G168-A172 WeakPolarHBondContact O-CB 3.39Å; G168-A172 PolarHBondContact O-N 3.08Å
169H89.9Confident83.1Confident54 Ų5471.5 Ų71.525%0.2539%0.392CS..Hα-helixtrans-72.2-37.3173.9-70.1-65.4000113.6L47 K50 V51 T54 E165 F166 L167 M173L47-H169 HydrophobicContact CD1-CB 4.48Å; K50-H169 HydrophobicContact CD-CB 4.19Å; K50-H169 HydrophobicContact CG-CB 4.37Å; K50-H169 PolarHBondContact NZ-O 3.29Å; V51-H169 HydrophobicContact CG1-CB 3.98Å; T54-H169 WeakPolarHBondContact CG2-NE2 3.3Å; E165-H169 PolarHBondContact O-CD2 3.07Å; E165-H169 VanDerWaalsContact O-CD2 3.23Å; E165-H169 PolarHBondContact O-N 3.25Å; F166-H169 PolarHBondContact O-N 2.88Å; L167-H169 PolarHBondContact O-N 2.96Å; H169-M173 VanDerWaalsContact O-CG 3.31Å; H169-M173 WeakPolarHBondContact O-CG 3.23Å
170W87.4Confident82.4Confident86 Ų8675.4 Ų75.433%0.32641%0.414SS..Hα-helixtrans-66.8-49.6179.7175.3-91.9000112.5L26 N29 L47 F166 L167 A172 M173L26-W170 HydrophobicContact CD2-CB 3.82Å; L26-W170 HydrophobicContact CD2-CD2 4.2Å; L26-W170 HydrophobicContact CD2-CE3 4.28Å; L26-W170 HydrophobicContact CD2-CG 3.99Å; N29-W170 VanDerWaalsContact ND2-CH2 3.26Å; N29-W170 WeakPolarHBondContact ND2-CH2 3.5Å; L47-W170 HydrophobicContact CB-CE3 4.19Å; L47-W170 HydrophobicContact CB-CZ3 4.39Å; L47-W170 HydrophobicContact CD1-CB 4.22Å; L47-W170 HydrophobicContact CD1-CE3 4.23Å; L47-W170 HydrophobicContact CD2-CE3 3.87Å; L47-W170 HydrophobicContact CD2-CZ3 4.41Å; L47-W170 HydrophobicContact CG-CE3 4.31Å; F166-W170 WeakPolarHBondContact O-CB 3.47Å; F166-W170 PolarHBondContact O-N 3.35Å; L167-W170 PolarHBondContact O-N 3Å; W170-A172 PolarHBondContact O-N 3.32Å; W170-M173 HydrophobicContact CB-CE 4.5Å; W170-M173 HydrophobicContact CD2-CE 3.81Å; W170-M173 HydrophobicContact CE3-CE 3.09Å; W170-M173 HydrophobicContact CG-CE 4.42Å; W170-M173 HydrophobicContact CH2-CE 4.39Å; W170-M173 HydrophobicContact CZ3-CE 3.45Å; W170-M173 VanDerWaalsContact CZ3-CE 3.45Å; W170-M173 VanDerWaalsContact O-CB 3.31Å; W170-M173 WeakPolarHBondContact O-CB 3.31Å; W170-M173 PolarHBondContact O-N 2.83Å
171E86.1Confident81.9Confident130 Ų13078.2 Ų78.261%0.60743%0.429SS*.Hα-helixtrans-65.4-29.2-179.9-68.2171.917800112.1H1 L167 M173H1-E171 IonicContact NE2-OE1 3.97Å; L167-E171 WeakPolarHBondContact O-CG 3.26Å; L167-E171 PolarHBondContact O-N 3.36Å; E171-M173 PolarHBondContact O-N 2.97Å
172A84.1Confident81.3Confident68 Ų6877.3 Ų77.356%0.56243%0.429SS*.THydrogen-bonded Turntrans-80.26.4172.700000113.6K50 G168 W170K50-A172 PolarHBondContact NZ-O 3.4Å; K50-A172 VanDerWaalsContact NZ-O 3.08Å; G168-A172 WeakPolarHBondContact O-CB 3.39Å; G168-A172 PolarHBondContact O-N 3.08Å; W170-A172 PolarHBondContact O-N 3.32Å
173M81.7Confident80.5Confident39 Ų3981.9 Ų81.919%0.19246%0.456CS..SBendtrans-89.3137.9171.8-63.5-161.4-69.300110.1L46 L47 K50 H169 W170 E171L46-M173 HydrophobicContact CB-SD 4.09Å; L47-M173 HydrophobicContact CB-CE 3.91Å; L47-M173 HydrophobicContact CD1-CE 4.17Å; K50-M173 HydrophobicContact CD-CG 3.98Å; K50-M173 HydrophobicContact CD-SD 4.29Å; H169-M173 VanDerWaalsContact O-CG 3.31Å; H169-M173 WeakPolarHBondContact O-CG 3.23Å; W170-M173 HydrophobicContact CB-CE 4.5Å; W170-M173 HydrophobicContact CD2-CE 3.81Å; W170-M173 HydrophobicContact CE3-CE 3.09Å; W170-M173 HydrophobicContact CG-CE 4.42Å; W170-M173 HydrophobicContact CH2-CE 4.39Å; W170-M173 HydrophobicContact CZ3-CE 3.45Å; W170-M173 VanDerWaalsContact CZ3-CE 3.45Å; W170-M173 VanDerWaalsContact O-CB 3.31Å; W170-M173 WeakPolarHBondContact O-CB 3.31Å; W170-M173 PolarHBondContact O-N 2.83Å; E171-M173 PolarHBondContact O-N 2.97Å
174P70.5Confident79.6Confident124 Ų12487.7 Ų87.781%0.80549%0.489SS*.PPolyproline II helixtrans-61.7146.3170.226.3-32.1000110
175E60.7Low78.8Confident178 Ų17886.5 Ų86.583%0.83250%0.496SS*.PPolyproline II helixtrans-57.7143.9172.3-72.3-161.2158.400110.1T177E175-T177 PolarHBondContact O-N 3.06Å
176P58.5Low77.7Confident130 Ų13090.2 Ų90.284%0.84452%0.521SS*.  trans-63.2114175.69.9-6.2000109.6
177T41.9Very low76.4Confident217 Ų21798.4 Ų98.4100%1.33157%0.568SS**  trans-57.20167.45.30000112.7E175E175-T177 PolarHBondContact O-N 3.06Å

Retrieved 177 of 177 residues in 97.1 ms (Link to these results)

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